*HEADER    OXIDOREDUCTASE                          02-JUN-04   1TI3              
*TITLE     SOLUTION STRUCTURE OF THE THIOREDOXIN H1 FROM POPLAR, A               
*TITLE    2 CPPC ACTIVE SITE VARIANT                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THIOREDOXIN H;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PTTRXH1                                                     
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: POPULUS TREMULA;                                
*SOURCE   3 ORGANISM_COMMON: EUROPEAN ASPEN                                      
*KEYWDS    OXIDOREDUCTASE, THIOREDOXIN, NMR                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.COUDEVYLLE, A.THUREAU, C.HEMMERLIN, E.GELHAYE,                      
*AUTHOR   2 J.P.JACQUOT, M.T.CUNG                                                
*REVDAT   1   14-DEC-04 1TI3    0                                                

 4 GLY
        HN      5 GLN  HN      5.50  
        HN      4 GLY  QA      4.00  
        HN      3 GLU  QG      4.00  
        HN      3 GLU  HB2     3.50  
        HN      3 GLU  HB3     3.50
        QA      5 GLN  HN      5.50
        QA      5 GLN  HB3     5.50
        HN      5 GLN  HB3     5.50
 5 GLN
        HN      6 VAL  HN      4.50  
        HN      5 GLN  HA      3.00  
        HN      4 GLY  QA      5.50  
        HN      5 GLN  HG2     4.50  
        HN      5 GLN  HG3     4.50
        HN      5 GLN  HB3     4.00  
        HN      5 GLN  HB2     4.00
        HA      6 VAL  HN      2.50
        HA      5 GLN  HN      3.50
        HA      4 GLY  QA      5.50
        HA      5 GLN  HG2     4.50
        HA      5 GLN  HG3     4.50
        HA      5 GLN  HB2     4.00
        HA      5 GLN  HB3     4.00
        HB2     5 GLN  HB3     3.50
        HB2     5 GLN  HG2     4.00
        HB2     5 GLN  HG3     4.00
        HB3     5 GLN  HG2     4.00
        HB3     5 GLN  HG3     4.00
        HA      6 VAL  QG2     5.50
        HN     52 ALA  QB      5.50
        HA     52 ALA  QB      5.50
        HE21    5 GLN  HG2     5.50
        HE21    5 GLN  HG3     5.50
        HE21    5 GLN  HB2     5.50
        HE22    5 GLN  HB3     5.50
 6 VAL
        HN      5 GLN  HN      4.50
        HN      6 VAL  HA      3.00
        HN      6 VAL  HB      4.00
        HN      6 VAL  QG2     4.50
        HN      6 VAL  QG1     5.50
        HN      7 ILE  HN      5.50
        HN      5 GLN  HG2     5.50
        HN      5 GLN  HG3     5.50
        HA     60 PHE  HN      5.50
        HA      7 ILE  HN      2.50
        HA     60 PHE  HB2     5.50
        HA     60 PHE  HB3     5.50
        HA      5 GLN  HG2     5.50
        HA      5 GLN  HG3     5.50
        HA      6 VAL  HB      4.50
        HA      6 VAL  QG1     5.50
        HA      6 VAL  QG2     5.50
        HN     52 ALA  QB      5.50
       QG2     52 ALA  QB      6.50
       QG2     49 ALA  QB      6.50
       QG2      5 GLN  HA      5.50
       QG2     52 ALA  HN      5.50
       QG2      5 GLN  HN      5.50
       QG2      7 ILE  HN      5.50
       QG2      6 VAL  HB      5.50
       QG1      6 VAL  HB      5.50
       QG2     60 PHE  HB2     5.50
       QG2     60 PHE  HB3     5.50
       QG2     49 ALA  HA      5.50
        HN     49 ALA  QB      6.00
 7 ILE 
        HN     62 LYS  HN      5.50
        HN      6 VAL  HN      5.50
        HN     61 LEU  HA      5.50
        HN      7 ILE  HA      3.00
        HN      6 VAL  HA      2.50
        HN      7 ILE  HB      4.00
        HN      7 ILE  QG2     5.50
        HN      7 ILE  QD1     5.50
        HN      6 VAL  HB      5.50
        HN      5 GLN  QG      6.00
        HN      7 ILE  HG12    5.50
        HN      7 ILE  HG13    5.50
        HA      7 ILE  QD1     5.50
        HA      7 ILE  HB      4.50
        HA      7 ILE  HG12    5.50
        HA      7 ILE  HG13    5.50
        HA      7 ILE  QG2     5.50
        HB     61 LEU  HA      5.50
        HB      7 ILE  HG12    4.50
        HB      7 ILE  HG13    4.50
        HB      7 ILE  QG2     5.50
        HB      7 ILE  QD1     5.50
       QG2     61 LEU  HA      5.50
       QG2      9 CYS  HN      6.50
       QG2      8 ALA  HN      6.00
       QG2      7 ILE  QD1     5.50
        HN     60 PHE  HB2     5.50
        QD1     9 CYS  HN      6.00
 8 ALA  
        HN      8 ALA  HA      3.00
        HN      7 ILE  HA      2.50
        HN      8 ALA  QB      5.50
        HN      7 ILE  QG2     5.50
        HN      9 CYS  HN      5.50
        HN      7 ILE  HB      5.50
        HA     62 LYS  HN      5.50
        HA      8 ALA  QB      4.50
        QB      7 ILE  HA      5.50
        QB      9 CYS  HN      5.50
        HN      7 ILE  QD1     5.50
 9 CYS  
        HN     62 LYS  HN      5.50
        HN      8 ALA  HA      2.50
        HN      9 CYS  HA      3.00
        HN      9 CYS  HB3     4.50
        HN      9 CYS  HB2     4.50
        HN      8 ALA  QB      5.50
        HN     64 ASP  HN      5.50
        HA     14 THR  QG2     5.50
        HA      9 CYS  HB2     4.00
        HA      9 CYS  HB3     4.00
        HB2    63 VAL  QG2     5.50
        HB3    63 VAL  QG2     5.50
        HB2    68 LEU  QD1     5.50
        HB3    68 LEU  QD1     5.50
        HN     63 VAL  HA      5.50 
10 HIS
        HN     11 THR  HN      5.50
        HN     10 HIS  HA      3.00
        HN     10 HIS  HB2     4.00
        HN     10 HIS  HB3     4.00
        HA     10 HIS  HB2     3.50
        HA     10 HIS  HB3     3.50
        HB2    11 THR  QG2     5.50
        HB3    11 THR  QG2     5.50
11 THR
        HN     10 HIS  HN      5.50
        HN     12 VAL  HN      5.50
        HN     11 THR  HA      3.00
        HN     11 THR  HB      4.00
        HN     10 HIS  HA      5.50
        HN     11 THR  QG2     5.50
        HN     10 HIS  HB3     5.50
        HN     10 HIS  HB2     5.50
        HN     14 THR  HB      5.50
        HN      9 CYS  HB3     5.50
        HN     14 THR  QG2     5.50
        HA     11 THR  HN      4.00
        HA     11 THR  HB      3.00
        HA     11 THR  QG2     5.50
        HA     68 LEU  QD2     5.50
        HA     13 ASP  HN      5.50
        HN     14 THR  HN      5.50
        HN     13 ASP  HN      5.70
        HN     68 LEU  QD1     5.50     
        HN     15 TRP  HN      5.50
12 VAL 
        HN     11 THR  HN      5.50
        HN     13 ASP  HN      3.50
        HN     14 THR  HN      5.50
        HN     11 THR  HA      3.50
        HN     12 VAL  HA      4.00
        HN     12 VAL  HB      3.50
        HN     12 VAL  QG1     5.50
        HN     12 VAL  QG2     5.50
        HN     11 THR  QG2     5.50
        HN     11 THR  HB      4.00
        HA     68 LEU  QD1     5.50
        HA     68 LEU  QD2     5.50
        HA     15 TRP  HB3     5.50
        HA     15 TRP  HB2     4.00
        HA     15 TRP  HN      3.50
        HA     13 ASP  HN      5.70
        HA     16 LYS  HN      5.50
        HA     12 VAL  HB      4.00
        HA     12 VAL  QG1     5.50
        HA     12 VAL  QG2     5.50
        HB     12 VAL  QG1     5.50
        HB     12 VAL  QG2     5.50
        HB     13 ASP  HN      4.50
        QG2    13 ASP  HN      5.50
        QG1    13 ASP  HN      5.50
        HN     15 TRP  HN      5.50
        HN     68 LEU  QD1     6.00
        HN     68 LEU  QD2     5.50
13 ASP
        HN     12 VAL  HN      3.50
        HN     13 ASP  HA      3.00
        HN     12 VAL  HA      4.00
        HN     13 ASP  HB2     5.50
        HN     13 ASP  HB3     5.50
        HN     12 VAL  QG1     5.50
        HN     12 VAL  QG2     5.50
        HN     11 THR  HA      5.50
        HN     11 THR  HB      4.00
        HN     11 THR  QG2     5.50
        HA     12 VAL  QG2     5.50
        HA     16 LYS  HB2     5.50
        HA     16 LYS  HB3     5.50
        HA     16 LYS  HN      5.50
        HA     13 ASP  HB2     4.00
        HA     13 ASP  HB3     4.00
        HN     15 TRP  HN      5.50
        HN     68 LEU  QD1     6.50
        HN     68 LEU  QD2     6.50
14 THR 
        HN     16 LYS  HN      5.50
        HN     13 ASP  HN      5.50
        HN     15 TRP  HN      3.80
        HN     14 THR  HA      3.00
        HN     14 THR  HB      4.00
        HN     12 VAL  HA      5.50
        HN     13 ASP  HB2     5.50
        HN     13 ASP  HB3     5.50
        HN     14 THR  QG2     5.50
        HN     11 THR  QG2     6.50
        HN     13 ASP  HA      4.00
        HN     11 THR  HB      5.50
        HA     14 THR  HB      4.00
        HA     14 THR  QG2     5.50
        HA     15 TRP  HN      5.50
        HA     17 GLU  HB2     5.50
        HA     17 GLU  HB3     5.50
        HA     17 GLU  HG2     5.50
        HA     17 GLU  HG3     5.50
        HB     15 TRP  HN      4.50
        QG2    11 THR  HN      5.50
15 TRP
        HN     16 LYS  HN      3.50
        HN     14 THR  HN      3.50
        HN     18 HIS  HN      5.50
        HN     15 TRP  HA      3.00
        HN     14 THR  HA      4.00
        HN     15 TRP  HB2     4.00
        HN     15 TRP  HB3     4.00
        HN     13 ASP  HB2     5.50
        HN     13 ASP  HB3     5.50
        HN     14 THR  QG2     5.50    
        HN     12 VAL  QG2     6.00
        HN     12 VAL  HA      5.50
        HA     16 LYS  HN      5.50
       HB2     16 LYS  HN      5.50
       HB2     12 VAL  HA      5.50
       HB3     16 LYS  HN      5.50
       HB3     12 VAL  HA      5.50
       HE1     71 VAL  QG2     6.00
       HE1     75 TRP  HE1     5.50
       HE1     71 VAL  QG1     6.00
       HE1     12 VAL  QG2     6.50
       HE1     14 THR  QG2     6.00
       HZ2     15 TRP  HE1     5.50
       HZ2     75 TRP  HE1     5.50
       HZ2     71 VAL  QG1     6.00
       HZ2     71 VAL  QG2     6.00
        HN     68 LEU  QD1     6.50
        HN     68 LEU  QD2     6.50
16 LYS
        HN     15 TRP  HN      3.50
        HN     18 HIS  HN      5.50
        HN     15 TRP  HA      3.80
        HN     14 THR  HA      5.50
        HN     16 LYS  HA      3.00
        HN     16 LYS  QB      4.50
        HN     16 LYS  QD      5.50
        HN     16 LYS  HG2     4.50
        HN     16 LYS  HG3     4.50
        HN     12 VAL  QG2     5.50
        HA     19 PHE  HN      5.50
        HA     20 GLU  HN      5.50
        HA     16 LYS  QB      4.50
        HA     16 LYS  HG2     4.50
        HA     16 LYS  HG3     4.50
        HA     16 LYS  QD      5.50
        QB     16 LYS  HG2     4.50
        QB     16 LYS  HG3     4.50
        QB     16 LYS  QD      5.50
        HG2    16 LYS  QD      4.00
        HG3    16 LYS  QD      4.00
17 GLU
        HN     16 LYS  HN      3.00
        HN     18 HIS  HN      3.50
        HN     14 THR  HA      5.50
        HN     17 GLU  HA      3.00
        HN     16 LYS  HA      5.50
        HN     17 GLU  HG2     4.50
        HN     17 GLU  HG3     4.50
        HN     17 GLU  HB2     4.50
        HN     17 GLU  HB3     4.50
        HN     14 THR  QG2     6.00
        HN     16 LYS  QE      5.50
        HN     13 ASP  HA      5.50
        HN     19 PHE  HN      5.50
        HN     20 GLU  HN      5.50
        HA     20 GLU  HN      5.50
        HA     17 GLU  HB2     4.00
        HA     17 GLU  HB3     4.00
        HA     17 GLU  HG2     4.50
        HA     17 GLU  HG3     4.50
        QB     17 GLU  HG2     4.00
        QB     17 GLU  HG3     4.00
18 HIS
        HN     19 PHE  HN      3.00
        HN     17 GLU  HN      3.00
        HN     15 TRP  HA      5.50
        HN     18 HIS  HA      3.00
        HN     17 GLU  HA      5.50
        HN     16 LYS  HA      5.50
        HN     18 HIS  QB      4.50
        HN     17 GLU  HG2     5.50
        HN     17 GLU  HG3     5.50
        HN     14 THR  QG2     5.50
        HN     14 THR  HA      5.50
        HN     14 THR  QG2     5.50
        HA     20 GLU  HN      5.50
        HA     21 LYS  QB      5.50
        HA     18 HIS  QB      4.50
        QB     61 LEU  QD1     6.00
        QB     61 LEU  QD2     6.00
19 PHE
        HN     20 GLU  HN      3.50
        HN     17 GLU  HN      5.50
        HN     18 HIS  HN      3.00
        HN     15 TRP  HA      5.50
        HN     18 HIS  HA      5.50
        HN     19 PHE  HA      3.00
        HN     18 HIS  QB      3.80
        HN     19 PHE  HB2     4.00
        HN     19 PHE  HB3     4.00
        HN     17 GLU  QB      5.50
        HA     20 GLU  HN      5.50
       HB2     16 LYS  HA      6.00
       HB2     20 GLU  HN      5.50
       HB3     16 LYS  HA      5.50
       HB3     20 GLU  HN      5.50
        HA     21 LYS  HN      5.50
        HA     18 HIS  HN      5.50
        HA     19 PHE  HB2     3.50
        HA     19 PHE  HB3     3.50
20 GLU
        HN     19 PHE  HN      3.50
        HN     21 LYS  HN      3.50
        HN     20 GLU  HA      3.00
        HN     19 PHE  HA      5.50
        HN     18 HIS  QB      6.00
        HN     19 PHE  HB2     5.50
        HN     20 GLU  HG2     5.50
        HN     20 GLU  QB      5.50
        HN     20 GLU  HG3     5.50
        HN     18 HIS  HA      5.50
        HA     22 GLY  HN      5.50
        HA     20 GLU  QB      4.50
        HA     20 GLU  HG2     4.50
        HA     20 GLU  HG3     4.50
        QB     20 GLU  HG2     4.50
        QB     20 GLU  HG3     4.50
21 LYS
        HN     20 GLU  HN      3.50
        HN     22 GLY  HN      3.50
        HN     21 LYS  HA      3.00
        HN     21 LYS  QE      5.50
        HN     21 LYS  QB      5.50
        HN     21 LYS  HG2     5.50
        HN     21 LYS  HG3     5.50
        HN     20 GLU  QB      5.50
        HN     20 GLU  HA      4.00
        HN     19 PHE  HN      5.50
        HA     22 GLY  HN      5.50
        HA     21 LYS  QB      4.50
        HA     21 LYS  HG2     4.50
        HA     21 LYS  HG3     4.50
        QB     21 LYS  HG2     4.50
        QB     21 LYS  HG3     4.50
22 GLY
        HN     23 LYS  HN      4.00
        HN     22 GLY  HA1     3.50
        HN     22 GLY  HA2     3.50
        HN     21 LYS  QB      3.50
        HN     21 LYS  QG      5.50
        HN     21 LYS  QD      6.00
        HN     21 LYS  HN      3.50
        HN     20 GLU  HN      5.50
        HN     19 PHE  HN      5.50
        HA1    21 LYS  QB      5.50
        HA2    21 LYS  QB      5.50
        HA2    23 LYS  HN      5.50
23 LYS
        HN     24 GLY  HN      4.50
        HN     22 GLY  HA1     3.80
        HN     22 GLY  HA2     4.50
        HN     23 LYS  HA      3.00
        HN     23 LYS  QB      5.50
        HN     23 LYS  HG2     5.00
        HN     23 LYS  HG3     5.00
        HN     23 LYS  QE      6.00
        HA     25 SER  HN      5.50
        HA     24 GLY  HN      3.50
        HA     23 LYS  QB      5.50
        HA     23 LYS  HG2     5.50
        HA     23 LYS  HG3     5.50
        QB     23 LYS  HG2     5.50
        QB     23 LYS  HG3     5.50
24 GLY
        HN     25 SER  HN      3.50
        HN     23 LYS  HN      5.50
        HN     24 GLY  HA1     3.50
        HN     24 GLY  HA2     3.50
        HN     23 LYS  QB      5.50
        HN     88 ASP  HA      5.50
        HN     23 LYS  QG      5.50
        HN     23 LYS  QD      5.50
        HA2    25 SER  HN      4.50
        HA1    25 SER  HN      4.50
25 SER
        HN     24 GLY  HN      3.50
        HN     23 LYS  HN      5.50
        HN     25 SER  HA      3.00
        HN     25 SER  HB2     4.50
        HN     25 SER  HB3     4.50
        HN     23 LYS  HG2     5.50
        HN     23 LYS  QB      6.00
        HB2    26 GLN  HN      5.50
        HB3    26 GLN  HN      5.50
        HB2    26 GLN  HN      5.50
        HB2    25 SER  HN      4.50
        HB2    25 SER  HA      3.50
        HB3    26 GLN  HN      5.50
        HB3    25 SER  HN      4.50
        HB3    25 SER  HA      3.50
26 GLN 
        HN     25 SER  HN      5.00
        HN     25 SER  HA      3.80
        HN     26 GLN  HA      3.50
        HN     26 GLN  HB3     4.00
        HN     26 GLN  HB2     4.00
        HN     25 SER  QB      5.50
        HN     26 GLN  HE21    5.50
        HN     26 GLN  HE22    5.50
        HA     26 GLN  HE21    5.50
        HA     26 GLN  HE22    5.50
        HA     26 GLN  HB2     3.50
        HA     26 GLN  HB3     3.50
        HB2    26 GLN  HE22    5.50
        HB2    26 GLN  HE21    5.50
        HB3    26 GLN  HE21    5.50
27 LYS  
        HN     28 LEU  HN      5.00
        HN     26 GLN  HN      4.00
        HN     25 SER  HA      5.50
        HN     27 LYS  HA      3.00
        HN     27 LYS  QE      6.00
        HN     27 LYS  HB2     4.00
        HN     27 LYS  HB3     4.00
        HN     27 LYS  QG      5.50
        HN     27 LYS  QD      5.50
        HA     27 LYS  HB2     4.00
        HA     27 LYS  HB3     4.00
        HA     27 LYS  QG      5.50
        HA     27 LYS  QD      5.50
        HN     25 SER  QB      5.50
        HN     26 GLN  HB2     5.50
        HB2    27 LYS  QG      4.00
        HB3    28 LEU  HN      5.50
        HB3    27 LYS  QG      4.00
28 LEU 
        HN     27 LYS  HA      3.50
        HN     59 THR  HN      5.50
        HN     28 LEU  HA      3.00
        HN     28 LEU  HB2     4.00
        HN     28 LEU  HB3     4.00
        HN     28 LEU  HG      5.00
        HN     28 LEU  QD1     5.50
        HN     28 LEU  QD2     5.50
        HA     28 LEU  HB2     5.50
        HA     28 LEU  HB3     5.50
        HA     28 LEU  HG      5.50
        HA     28 LEU  QD1     5.50
        HA     28 LEU  QD2     5.50
        HB2    28 LEU  HG      5.50
        HB2    28 LEU  QD1     5.50
        HB2    28 LEU  QD2     5.50
        HB3    28 LEU  HG      5.50
        HB3    28 LEU  QD1     5.50
        HB3    28 LEU  QD2     5.50
        HG     28 LEU  QD1     5.50
        HG     28 LEU  QD2     5.50
29 ILE
        HN     86 LEU  HN      5.50
        HN     28 LEU  HA      3.50
        HN     29 ILE  HA      3.00
        HN     29 ILE  HB      4.50
        HN     29 ILE  QG1     5.50
        HN     29 ILE  QG2     5.50
        HN     29 ILE  QD1     5.50
        HA     29 ILE  HB      4.00
        HA     29 ILE  QG1     5.50
        HA     29 ILE  QG2     5.50
        HA     29 ILE  QD1     5.50
        HB     29 ILE  QG1     5.50
        HB     29 ILE  QG2     5.50
        HB     29 ILE  QD1     5.50
        QD1    18 HIS  QB      5.50
        QD1    22 GLY  HA1     5.50
        QD1    22 GLY  HA2     5.50
        QD1    22 GLY  HN      5.50
30 VAL
        HN     59 THR  HN      5.50
        HN     60 PHE  HA      5.50
        HN     29 ILE  HA      2.50
        HN     30 VAL  HA      3.00
        HN     30 VAL  HB      4.00
        HN     30 VAL  QG1     5.50
        HN     30 VAL  QG2     5.50
        HA     30 VAL  HB      3.00
        HA     30 VAL  QG1     5.50
        HA     30 VAL  QG2     5.50
        HB     30 VAL  QG1     5.50
        HB     30 VAL  QG2     5.50
        HN     59 THR  HB      6.00
        HN     61 LEU  HN      5.50
31 VAL
        HN     84 ILE  HN      5.50
        HN     85 PHE  HA      5.50
        HN     31 VAL  HA      3.00
        HN     30 VAL  HA      2.50
        HN     31 VAL  HB      4.50
        HN     31 VAL  QG1     5.50
        HN     31 VAL  QG2     5.50
        HA     31 VAL  HB      4.50
        HA     31 VAL  QG1     5.50
        HA     31 VAL  QG2     5.50
        HB     31 VAL  QG1     5.50
        HB     31 VAL  QG2     5.50
32 ASP
        HN     61 LEU  HN      5.50
        HN     63 VAL  HN      5.50
        HN     62 LYS  HA      3.50
        HN     31 VAL  HA      2.50
        HN     32 ASP  HA      3.00
        HA     32 ASP  HB3     4.00
        HA     32 ASP  HB2     4.50
        HN     32 ASP  HB2     4.50
        HN     31 VAL  HB      5.50
        HN     32 ASP  HB3     4.00
        HN     31 VAL  QG1     5.50
        HN     31 VAL  QG2     5.50
33 PHE
        HN     82 THR  HN      5.50
        HN     83 PHE  HA      5.50
        HN     33 PHE  HA      3.00
        HN     32 ASP  HA      2.50
        HN     33 PHE  HB3     3.80
        HN     33 PHE  HB2     3.50
        HN     32 ASP  HB2     5.50
        HN     32 ASP  HB3     4.50
        HN     82 THR  HB      5.50
        HN     32 ASP  HN      5.50
        HN     77 VAL  QG1     6.00
        HN     80 MET  QE      5.50
        HA     33 PHE  HB2     4.50
        HA     33 PHE  HB3     4.00
34 THR
        HN     33 PHE  HA      2.50
        HN     64 ASP  HA      5.50
        HN     34 THR  HA      3.00
        HN     34 THR  HB      4.00
        HN     33 PHE  HB2     5.50
        HN     33 PHE  HB3     5.50
        HN     34 THR  QG2     5.50
        HN     63 VAL  HN      5.50
        HN     65 VAL  HN      5.50
        HN     35 ALA  QB      6.00
        HN     65 VAL  QG2     5.50
        HN     65 VAL  HB      5.50
        HN     80 MET  QE      5.50
        HA     65 VAL  HB      5.50
        HA     34 THR  HB      3.00
        HA     34 THR  QG2     5.50
        QG2    35 ALA  HN      5.50
        QG2    65 VAL  HB      6.00
        QG2    38 CYS  HB3     5.50
        QG2    34 THR  HB      5.50
35 ALA
        HN     35 ALA  HA      3.00
        HN     34 THR  HA      3.50
        HN     35 ALA  QB      5.50
        HN     34 THR  QG2     5.50
        HN     34 THR  HN      5.50
        HN     34 THR  HB      5.50
        HN     36 SER  HN      5.50
        HN     65 VAL  QG1     5.50
        HN     65 VAL  HB      5.50
        HN     80 MET  QE      5.50
        HN     38 CYS  HB3     5.50
        HA     35 ALA  QB      4.50
36 SER
        HN     37 TRP  HN      3.50
        HN     35 ALA  HA      3.00
        HN     36 SER  HA      3.00
        HN     36 SER  QB      5.50
        HN     35 ALA  QB      4.50
        HN     65 VAL  QG1     5.50
        HA     36 SER  QB      4.00
37 TRP
        HN     36 SER  HN      3.50
        HN     37 TRP  HA      3.00
        HN     36 SER  HA      5.50
        HN     37 TRP  HB2     4.50
        HN     37 TRP  HB3     4.00
        HN     35 ALA  QB      5.50
        HA     37 TRP  HB2     4.00
        HA     37 TRP  HB3     4.00
        HE1    35 ALA  QB      5.80
        HE1    37 TRP  HB3     5.50
        HZ2    37 TRP  HE1     5.50
        HZ2    65 VAL  QG1     5.50
        HE1    65 VAL  QG1     5.50
39 PRO
        HA     39 PRO  HB3     4.00
        HA     39 PRO  HG2     5.00
        HA     39 PRO  HG3     4.00
        HA     39 PRO  HB2     4.00
        HA     39 PRO  HD2     5.50
        HA     39 PRO  HD3     5.50
        HB2    39 PRO  HG2     4.50
        HB2    39 PRO  HG3     4.50
        HB2    39 PRO  HD2     5.50
        HB2    39 PRO  HD3     5.50
        HB3    39 PRO  HG2     4.50
        HB3    39 PRO  HG3     4.50
        HB3    39 PRO  HD2     5.50
        HB3    39 PRO  HD3     5.50
        HA     42 LYS  HN      5.50
        HA     42 LYS  QB      5.50
40 PRO
        HA     40 PRO  HB3     4.00
        HA     40 PRO  HG2     5.00
        HA     40 PRO  HG3     4.00
        HA     40 PRO  HB2     4.00
        HA     40 PRO  HD2     5.50
        HA     40 PRO  HD3     5.50
        HB2    40 PRO  HG2     4.50
        HB2    40 PRO  HG3     4.50
        HB2    40 PRO  HD2     5.50
        HB2    40 PRO  HD3     5.50
        HB3    40 PRO  HG2     4.50
        HB3    40 PRO  HG3     4.50
        HB3    40 PRO  HD2     5.50
        HB3    40 PRO  HD3     5.50
        HA     43 MET  HN      5.50
        HA     98 ALA  QB      6.00
        HB2    98 ALA  QB      6.00
41 CYS 
        HN     42 LYS  HN      3.50
        HN     40 PRO  HA      5.50
        HN     41 CYS  HA      3.00
        HN     41 CYS  HB2     4.50
        HN     41 CYS  HB3     4.50
        HN     40 PRO  QG      5.50
        HN     40 PRO  HB2     5.50
        HA     43 MET  HN      5.50
        HA     44 ILE  QG2     5.50
        HA     41 CYS  HB2     3.50
        HA     41 CYS  HB3     3.50
42 LYS
        HN     41 CYS  HN      3.50
        HN     40 PRO  HA      5.50
        HN     42 LYS  HA      3.00
        HN     42 LYS  HB2     4.50
        HN     42 LYS  HB3     4.50
        HN     42 LYS  QB      4.00
        HN     42 LYS  HG2     5.50
        HN     42 LYS  HG3     5.50
        HA     43 MET  HN      4.00
        HA     42 LYS  HB2     4.00
        HA     42 LYS  HB3     4.00
        HA     42 LYS  HG2     4.50
        HA     42 LYS  HG3     4.50
        QB     42 LYS  HG2     4.00
        QB     42 LYS  HG3     4.00
43 MET
        HN     41 CYS  HN      5.50
        HN     40 PRO  HA      5.50
        HN     43 MET  HA      3.00
        HA     43 MET  HB2     4.50
        HA     43 MET  HB3     4.50
        HA     43 MET  HG2     5.00
        HA     43 MET  HG3     5.00
        HB2    43 MET  HG2     4.00
        HB2    43 MET  HG3     4.00
        HB3    43 MET  HG2     4.00
        HB3    43 MET  HG3     4.00
        HG2    40 PRO  HA      5.50
        HG3    40 PRO  HA      5.50
        HN     42 LYS  QB      5.50
44 ILE
        HN     45 ALA  HN      3.50
        HN     44 ILE  HA      3.00
        HN     43 MET  HA      3.80
        HN     43 MET  QB      5.50
        HN     44 ILE  HB      4.50
        HN     44 ILE  HG12    5.00
        HN     44 ILE  HG13    5.00
        HN     44 ILE  QG2     5.50
        HN     44 ILE  QD1     6.00
        HA     44 ILE  HB      4.00
        HA     44 ILE  HG12    5.00
        HA     44 ILE  HG13    5.00
        HA     44 ILE  QG2     5.50
        HA     44 ILE  QD1     5.50
        HB     44 ILE  HG12    5.00
        HB     44 ILE  HG13    5.00
        HB     44 ILE  QG2     5.50
        HB     44 ILE  QD1     5.50
        HA     47 ILE  HN      5.50
        HA     47 ILE  QD1     5.50
        HA     47 ILE  HB      5.50
        QG2    48 PHE  HN      6.50
        QG2    41 CYS  HB2     4.50
        QG2    41 CYS  HB3     4.00
        QD1    47 ILE  HN      5.50
        QD1   103 LEU  QD2     6.50
45 ALA
        HN     44 ILE  HN      3.50
        HN     44 ILE  HA      3.50
        HN     45 ALA  HA      3.00
        HN     44 ILE  HB      5.50
        HN     45 ALA  QB      5.50
        HN     44 ILE  QG2     5.50
        HN     47 ILE  HN      5.50
        HA     45 ALA  QB      4.50
46 PRO
        HA     49 ALA  QB      5.50
        HA     46 PRO  HB3     4.00
        HA     46 PRO  HG2     5.00
        HA     46 PRO  HG3     4.00
        HA     46 PRO  HB2     4.00
        HA     46 PRO  HD2     5.50
        HA     46 PRO  HD3     5.50
        HA     47 ILE  HN      4.50
        HA     49 ALA  HN      3.50
        HB2    46 PRO  HG2     4.50
        HB2    46 PRO  HG3     4.50
        HB2    46 PRO  HD2     5.50
        HB2    46 PRO  HD3     5.50
        HB3    46 PRO  HG2     4.50
        HB3    46 PRO  HG3     4.50
        HB3    46 PRO  HD2     5.50
        HB3    46 PRO  HD3     5.50
47 ILE
        HN     48 PHE  HN      3.50
        HN     49 ALA  HN      5.50
        HN     45 ALA  HN      5.50
        HN     46 PRO  HA      4.50
        HN     47 ILE  HA      3.00
        HN     47 ILE  HB      3.50
        HN     47 ILE  HG12    4.50
        HN     47 ILE  HG13    4.50
        HN     47 ILE  QD1     5.50
        HN     47 ILE  QG2     6.00
        HN     48 PHE  HB2     5.50
        HN     48 PHE  HB3     5.50
        HN     46 PRO  HB3     4.50
        HN    103 LEU  QD2     6.50
        HN     44 ILE  QD1     5.50
        HA     49 ALA  HN      4.50
        HA     47 ILE  HB      4.50
        HA     47 ILE  HG12    4.50
        HA     47 ILE  HG13    4.50
        HA     47 ILE  QD1     5.50
        HA     47 ILE  QG2     6.00
        HB     47 ILE  HG12    4.50
        HB     47 ILE  HG13    4.50
        HB     47 ILE  QD1     5.50
        HB     47 ILE  QG2     5.50
        HG12   47 ILE  QD1     5.50
        HG12   47 ILE  QG2     5.50
        HG13   47 ILE  QD1     5.50
        HG13   47 ILE  QG2     5.50
48 PHE
        HN     49 ALA  HN      3.50
        HN     47 ILE  HN      3.50
        HN     46 PRO  HA      5.50
        HN     48 PHE  HA      3.00
        HN     47 ILE  HA      3.80
        HN     48 PHE  HB2     3.50
        HN     48 PHE  HB3     3.50
        HN     47 ILE  HB      4.30
        HN    103 LEU  QD2     5.50
        HN     47 ILE  HA      4.50
        HN     47 ILE  HG13    5.50
        HN     47 ILE  HG12    5.50
        HA     51 LEU  HB2     5.50
        HA     51 LEU  HB3     5.50
        HA     48 PHE  HB2     3.50
        HA     48 PHE  HB3     3.50
       HB2     45 ALA  HA      5.50
       HB3     45 ALA  HA      5.50
49 ALA
        HN     52 ALA  HN      5.50
        HN     49 ALA  HA      3.00
        HN     49 ALA  QB      5.50
        HN     48 PHE  HN      3.50
        HA     49 ALA  QB      5.50
        HA     52 ALA  HN      5.50
        HA     52 ALA  QB      5.50
        QB     46 PRO  HA      5.50
50 GLU
        HN     51 LEU  HN      3.50
        HN     52 ALA  HN      5.50
        HN     50 GLU  HA      3.00
        HN     47 ILE  QD1     6.00
        HN     46 PRO  HA      5.50
        HN     50 GLU  HB2     4.50
        HN     50 GLU  HB3     4.50
        HN     50 GLU  QG      5.50
        HA     50 GLU  HB2     4.50
        HA     50 GLU  HB3     4.50
        HA     50 GLU  QG      5.50
        HB3    50 GLU  QG      5.50
        HB2    50 GLU  QG      5.50
51 LEU  
        HN     50 GLU  HN      3.50
        HN     52 ALA  HN      3.50
        HN     50 GLU  HA      4.00
        HN     51 LEU  HA      3.50
        HN     51 LEU  HG      4.50
        HN     51 LEU  HB2     4.00
        HN     51 LEU  HB3     4.00
        HN     51 LEU  QD1     5.50
        HN     51 LEU  QD2     5.50
        HA     51 LEU  HG      4.50
        HA     51 LEU  HB2     4.00
        HA     51 LEU  HB3     4.00
        HA     51 LEU  QD1     5.50
        HA     51 LEU  QD2     5.50
        HA     54 LYS  HN      5.50
        HG     51 LEU  HB2     5.50
        HG     51 LEU  HB3     5.50
        HG     51 LEU  QD1     5.50
        HG     51 LEU  QD2     5.50
        HB3    51 LEU  QD1     5.50
        HB3    51 LEU  QD2     5.50
        HB2    51 LEU  QD1     5.50
        HB2    51 LEU  QD2     5.50
52 ALA
        HN     51 LEU  HN      3.50
        HN     50 GLU  HN      5.50
        HN     54 LYS  HN      5.50
        HN     50 GLU  HA      4.50
        HN     52 ALA  HA      3.50
        HN     51 LEU  HG      5.50
        HN     51 LEU  HB2     4.50
        HN     51 LEU  HB3     5.50
        HN     52 ALA  QB      5.50
        HN     51 LEU  QD2     5.50
        HA     52 ALA  QB      4.50
        QB     60 PHE  HB2     5.50
        QB     60 PHE  HB3     5.50
53 LYS
        HN     51 LEU  HN      5.50
        HN     50 GLU  HN      5.50
        HN     54 LYS  HN      3.50
        HN     53 LYS  HA      3.00
        HN     52 ALA  HA      4.50
        HN     53 LYS  QE      6.50
        HN     53 LYS  QD      5.50
        HN     53 LYS  QB      5.50
        HN     53 LYS  HG2     4.50
        HN     53 LYS  HG3     4.50
        HA     53 LYS  QD      5.50
        HA     53 LYS  QB      5.50
        HA     53 LYS  HG2     4.50
        HA     53 LYS  HG3     4.50
        QB     53 LYS  QD      5.50
        QB     53 LYS  HG2     4.50
        QB     53 LYS  HG3     4.50
        HG2    53 LYS  QD      5.50
        HG3    53 LYS  QD      5.50
        HN     52 ALA  QB      5.50
        HN     51 LEU  QD1     6.50
        HN     51 LEU  QD2     6.50
54 LYS
        HN     55 PHE  HN      3.50
        HN     53 LYS  HN      3.50
        HN     54 LYS  HA      3.00
        HN     54 LYS  QE      6.00
        HN     54 LYS  HB2     4.00
        HN     54 LYS  HB3     4.00
        HN     54 LYS  HG3     4.50
        HN     54 LYS  HG2     4.50
        HA     54 LYS  HB2     4.00
        HA     54 LYS  HB3     4.00
        HA     54 LYS  HG3     4.50
        HA     54 LYS  HG2     4.50
        HN     52 ALA  QB      5.50
        HN      4 GLY  HN      5.50
        HB2    54 LYS  HG3     3.50
        HB3    54 LYS  HG3     3.50
        HB3    55 PHE  HN      3.50
        HB3    53 LYS  HN      5.00
        HN     55 PHE  HB2     5.50
        HN     55 PHE  HB3     5.50
55 PHE 
        HN     56 PRO  HD2     5.50
        HN     56 PRO  HD3     5.50
        HN     55 PHE  HA      3.00
        HA     55 PHE  HB2     3.50
        HA     55 PHE  HB3     3.50
        HA     57 ASN  HN      4.50
        HA     56 PRO  HD2     3.50
        HA     56 PRO  HD3     3.50
        HA     56 PRO  QG      5.50
        HA     54 LYS  HN      5.50
        HA     57 ASN  HN      5.50
        HN     54 LYS  HB2     5.50
        HN     54 LYS  HB3     3.50
        HN     53 LYS  QB      5.50
        HB3    58 VAL  QG1     5.50
        HB3    58 VAL  QG2     5.50
56 PRO
        HA     56 PRO  HB3     4.00
        HA     56 PRO  HG2     5.00
        HA     56 PRO  HG3     4.00
        HA     56 PRO  HB2     4.00
        HA     56 PRO  HD2     5.50
        HA     56 PRO  HD3     5.50
        HB2    56 PRO  HG2     4.50
        HB2    56 PRO  HG3     4.50
        HB2    56 PRO  HD2     5.50
        HB2    56 PRO  HD3     5.50
        HB3    56 PRO  HG2     4.50
        HB3    56 PRO  HG3     4.50
        HB3    56 PRO  HD2     5.50
        HB3    56 PRO  HD3     5.50
57 ASN
        HN     58 VAL  HN      3.50
        HN     57 ASN  HA      3.00
        HN     56 PRO  HD2     4.50
        HN     56 PRO  HD3     4.50
        HN     57 ASN  QB      4.00
        HN     56 PRO  HG2     5.50
        HN     58 VAL  QG1     5.80
        HN     58 VAL  QG2     5.80
        HN    111 ALA  QB      6.00
        HA     57 ASN  QB      4.50
      HD22     57 ASN  HA      5.50
      HD22     57 ASN  QB      5.50
      HD22    111 ALA  QB      6.00
      HD22     58 VAL  QG1     5.50
      HD21     57 ASN  HA      5.50
      HD21     57 ASN  QB      5.50
      HD21    111 ALA  QB      5.50
      HD21     58 VAL  QG1     5.50
58 VAL
        HN     57 ASN  HN      3.50
        HN     57 ASN  HA      3.80
        HN     58 VAL  HA      3.00
        HN     58 VAL  HB      4.00
        HN     56 PRO  HG2     5.50
        HN     58 VAL  QG1     5.50
        HN     58 VAL  QG2     5.50
        HN     57 ASN  QB      5.50
        HA     58 VAL  HB      4.00
        HA     58 VAL  QG1     5.50
        HA     58 VAL  QG2     5.50
        HA     28 LEU  HN      5.50
        HA     28 LEU  HB3     5.50
        HB     58 VAL  QG1     5.50
        HB     58 VAL  QG2     5.50
       QG2     28 LEU  HB3     6.50
       QG2     28 LEU  HB2     6.50
       QG2     28 LEU  HN      5.50
59 THR
        HN     29 ILE  HA      5.50
        HN     58 VAL  HA      3.00
        HN     58 VAL  QG2     4.80
        HN     59 THR  HA      3.00
        HN     59 THR  HB      3.50
        HN     59 THR  QG2     5.50
        HA     59 THR  HB      4.50
        HA     59 THR  QG2     5.50
        HB     59 THR  QG2     5.50
        HB     29 ILE  HB      5.50
        HB     29 ILE  QG1     5.50
        HB     29 ILE  QG2     5.50
        HB     58 VAL  QG2     6.00
60 PHE
        HN     60 PHE  HA      3.00
        HN     59 THR  HA      2.50
        HN      6 VAL  HA      5.50
        HN     60 PHE  HB2     3.50
        HN     60 PHE  HB3     4.50
        HN     59 THR  QG2     5.50
        HA     60 PHE  HB2     4.50
        HA     60 PHE  HB3     4.50
        HA     61 LEU  HB3     5.80
        HA     61 LEU  HB2     5.50
61 LEU
        HN     30 VAL  HN      5.50
        HN     32 ASP  HN      5.50
        HN     61 LEU  HA      3.00
        HN     60 PHE  HA      2.50
        HN     31 VAL  HA      5.50
        HN     60 PHE  HB2     5.50
        HN     60 PHE  HB3     5.50
        HN     61 LEU  HB2     4.50
        HN     61 LEU  HB3     4.50
        HN     61 LEU  HG      5.50
        HN     61 LEU  QD1     5.50
        HN     61 LEU  QD2     5.50
        HA     61 LEU  HB2     4.00
        HA     61 LEU  HB3     4.00
        HA     61 LEU  HG      4.50
        HA     61 LEU  QD1     5.50
        HA     61 LEU  QD2     5.50
        HB2    61 LEU  HG      4.50
        HB2    61 LEU  QD1     5.50
        HB2    61 LEU  QD2     5.50
        HB3    61 LEU  HG      4.50
        HB3    61 LEU  QD1     5.50
        HB3    61 LEU  QD2     5.50
        HG     61 LEU  QD1     5.50
        HG     61 LEU  QD2     5.50
        HN     59 THR  QG2     5.50
        HN     31 VAL  QG2     6.00
        HN     31 VAL  QG1     6.00
       QD2     62 LYS  HN      5.50
       QD2     59 THR  QG2     5.50
       QD2     31 VAL  HA      5.80
62 LYS 
        HN      7 ILE  HN      5.50
        HN      9 CYS  HN      5.50
        HN     61 LEU  HA      2.50
        HN     62 LYS  HA      3.00
        HN     62 LYS  QB      4.50
        HN     62 LYS  HG2     5.00
        HN     62 LYS  HG3     5.00
        HA     62 LYS  QB      4.50
        HA     62 LYS  HG2     5.00
        HA     62 LYS  HG3     5.00
        QB     62 LYS  HG2     5.00
        QB     62 LYS  HG3     5.00
        HN      8 ALA  HA      5.50  
63 VAL
        HN     32 ASP  HN      5.50
        HN     33 PHE  HA      5.50
        HN     62 LYS  HA      2.50
        HN     63 VAL  HA      3.00
        HN     63 VAL  HB      3.50
        HN     63 VAL  QG1     5.50
        HN     63 VAL  QG2     5.50
        HA     63 VAL  HB      4.50
        HA     63 VAL  QG1     5.50
        HA     63 VAL  QG2     5.50
        HB     63 VAL  QG1     5.50
        HB     63 VAL  QG2     5.50
        HN     31 VAL  QG2     5.50
        HN     62 LYS  QB      5.50
        HB     31 VAL  QG2     5.50
        HB     62 LYS  HA      5.50
       QG1     31 VAL  QG2     6.50
       QG2     31 VAL  QG2     6.50
64 ASP
        HN     65 VAL  HN      5.50
        HN     64 ASP  HA      3.00 
        HN     10 HIS  HA      5.50
        HN     63 VAL  HA      2.50
        HN     64 ASP  HB2     3.50
        HN     64 ASP  HB3     3.50
        HN     63 VAL  HB      5.50
        HN     63 VAL  QG1     5.50
        HN     63 VAL  QG2     5.50
        HA     64 ASP  HB2     4.00
        HA     64 ASP  HB3     4.00
       HB3     63 VAL  QG1     5.50
       HB3     63 VAL  HA      5.50
       HB3     65 VAL  HN      5.50
65 VAL
        HN      64 ASP  HN     5.50
        HN      66 ASP  HN     4.00
        HN      67 GLU  HN     5.50
        HN      35 ALA  HA     5.50
        HN      64 ASP  HA     2.50
        HN      65 VAL  HA     3.00
        HN      65 VAL  HB     4.50
        HN      65 VAL  QG1    5.50
        HN      65 VAL  QG2    5.50
        HA      65 VAL  HB     3.00
        HA      65 VAL  QG1    5.50
        HA      65 VAL  QG2    5.50
        HB      65 VAL  QG1    5.50
        HB      65 VAL  QG2    5.50
        HN      64 ASP  HB2    5.00
66 ASP
        HN      65 VAL  HN     4.00
        HN      67 GLU  HN     3.50
        HN      66 ASP  HA     3.00
        HN      65 VAL  HA     4.50
        HN      66 ASP  HB2    4.50
        HN      66 ASP  HB3    4.50
        HN      65 VAL  HB     4.50
        HN      65 VAL  QG1    5.50
        HA      66 ASP  HB2    4.50
        HA      66 ASP  HB3    4.50
67 GLU  
        HN      66 ASP  HN     3.50
        HN      67 GLU  HA     3.00
        HN      67 GLU  QB     5.50
        HN      67 GLU  QG     5.50
        HA      67 GLU  QB     4.50
        HA      67 GLU  QG     4.50
        HN      66 ASP  HB2    4.50
        HN      66 ASP  HB3    4.50
68 LEU
        HN      66 ASP  HN     5.50
        HN      69 LYS  HN     3.50
        HN      67 GLU  HA     3.80
        HN      65 VAL  HA     4.50
        HN      65 VAL  HB     5.50
        HN      68 LEU  HA     3.00
        HN      68 LEU  HG     5.50
        HN      68 LEU  QB     4.50
        HN      68 LEU  QD1    5.50
        HN      68 LEU  QD2    5.50
        HA      68 LEU  HG     5.50
        HA      68 LEU  QB     4.50
        HA      68 LEU  QD1    5.50
        HA      68 LEU  QD2    5.50
        HG      68 LEU  QB     4.50
        HG      68 LEU  QD1    5.50
        HG      68 LEU  QD2    5.50
69 LYS
        HN      68 LEU  HN     3.50
        HN      70 ALA  HN     3.50
        HN      71 VAL  HN     5.50
        HN      68 LEU  HA     3.50
        HN      69 LYS  HA     3.00
        HN      65 VAL  HA     5.50
        HN      69 LYS  HB2    4.50
        HN      69 LYS  HB3    4.50
        HN      69 LYS  QG     5.50
        HN      69 LYS  QE     6.00
        HN      68 LEU  QD2    5.50
        HA      69 LYS  HB2    4.00
        HA      69 LYS  HB3    4.00
        HA      69 LYS  QG     5.50
        HB2     69 LYS  QG     4.50
        HB3     69 LYS  QG     4.50
70 ALA
        HN      73 GLU  HN     5.50
        HN      69 LYS  HN     3.50
        HN      72 ALA  HN     4.50
        HN      71 VAL  HN     4.00
        HN      68 LEU  HA     3.50
        HN      70 ALA  HA     3.00
        HN      70 ALA  QB     5.50
        HN      69 LYS  HB2    4.50
        HN      69 LYS  HB3    4.50
        HN      69 LYS  QG     5.50
        HA      70 ALA  QB     4.50
71 VAL 
        HN      70 ALA  HN     3.50
        HN      73 GLU  HN     5.50
        HN      72 ALA  HN     3.50
        HN      68 LEU  HA     5.50     
        HN      70 ALA  HA     4.00
        HN      71 VAL  HA     3.00
        HN      71 VAL  HB     3.50
        HN      70 ALA  QB     5.50
        HN      71 VAL  QG1    5.50
        HN      71 VAL  QG2    5.50
        HA      72 ALA  HN     5.50
        HA      74 GLU  HN     5.50
        HA      71 VAL  QG1    5.50
        HA      71 VAL  QG2    5.50
        HA      71 VAL  HB     4.50
        HB      71 VAL  QG1    5.50
        HB      71 VAL  QG2    5.50
72 ALA
        HN      70 ALA  HN     4.50
        HN      73 GLU  HN     3.50
        HN      74 GLU  HN     5.50
        HN      71 VAL  HN     3.50
        HN      70 ALA  HA     5.50
        HN      72 ALA  HA     3.00
        HN      71 VAL  HB     4.50
        HN      72 ALA  QB     5.50
        HN      71 VAL  QG1    4.50
        HN      71 VAL  QG2    5.50
        HA      71 VAL  QG2    5.00
        HA      71 VAL  QG1    5.50
        HA      74 GLU  HN     5.50
        HA      72 ALA  QB     5.50
73 GLU
        HN      72 ALA  HN     3.50
        HN      71 VAL  HN     5.50
        HN      73 GLU  HA     3.00
        HN      72 ALA  HA     5.50
        HN      73 GLU  HB2    4.00
        HN      73 GLU  HB3    4.00
        HN      73 GLU  HG2    5.50
        HN      73 GLU  HG3    5.50
        HN      71 VAL  QG1    5.50
        HA      73 GLU  HB2    4.00
        HA      73 GLU  HB3    4.00
        HA      73 GLU  HG2    4.50
        HA      73 GLU  HG3    4.50
        HB2     73 GLU  HG2    4.50
        HB2     73 GLU  HG3    4.50
        HB3     73 GLU  HG2    4.50
        HB3     73 GLU  HG3    4.50
        HB2     74 GLU  HN     5.50
        HB3     74 GLU  HN     5.50
        HN      72 ALA  QB     4.50
74 GLU
        HN      73 GLU  HN     3.50
        HN      75 TRP  HN     3.50
        HN      74 GLU  HA     3.00
        HN      74 GLU  HB2    4.00
        HN      74 GLU  HB3    4.00
        HN      74 GLU  HG2    5.50
        HN      74 GLU  HG3    5.50
        HN      71 VAL  QG1    6.00
        HN      71 VAL  QG2    5.50
        HN      72 ALA  QB     5.50
        HG3     71 VAL  QG2    5.50
        HG2     75 TRP  HE1    6.00
        HG2     75 TRP  HN     6.00
        HG2     15 TRP  HE1    6.00
75 TRP 
        HN      73 GLU  HN     5.50
        HN      76 ASN  HN     3.50
        HN      74 GLU  HN     3.50
        HN      75 TRP  HA     3.00
        HN      74 GLU  HA     3.80
        HN      75 TRP  HB2    3.50
        HN      75 TRP  HB3    4.00
        HN      77 VAL  QG2    5.50
        HN      75 TRP  HE1    5.50
       HE1      71 VAL  QG2    5.50
       HE1      71 VAL  QG1    5.50
       HE1      75 TRP  HB3    5.50
       HE1      75 TRP  HB2    5.50
       HE1      75 TRP  HZ2    5.50
       HE1      74 GLU  HG3    5.50
       HZ2      71 VAL  QG1    5.50
       HZ2      74 GLU  HG3    5.50
       HZ2      75 TRP  HN     6.00
        HN      74 GLU  HG3    5.50
        HN      84 ILE  QD1    6.00
76 ASN
        HN      75 TRP  HN     3.50
        HN      76 ASN  HA     3.50
        HN      76 ASN  HB2    4.00
        HN      76 ASN  HB3    4.00
        HN      77 VAL  QG2    5.50
        HN      73 GLU  HN     5.50
        HN      77 VAL  HN     5.50
        HA      77 VAL  QG2    6.00
        HA      77 VAL  HN     5.50
        HD21    76 ASN  HN     5.50
        HD21    76 ASN  HA     5.50
        HD21    76 ASN  HB2    5.50
        HD21    76 ASN  HB3    5.50
        HD22    76 ASN  HA     5.50
        HD22    76 ASN  HB2    5.50
        HD22    76 ASN  HB3    5.50
77 VAL 
        HN      78 GLU  HN     5.50
        HN      75 TRP  HN     5.50
        HN      76 ASN  HA     4.00
        HN      77 VAL  HA     3.00
        HN      76 ASN  HB2    5.50
        HN      77 VAL  HB     4.50
        HN      77 VAL  QG1    5.50
        HN      77 VAL  QG2    4.50
        HN      76 ASN  HB3    5.50
        HN      76 ASN  HN     5.50
        HN      72 ALA  QB     5.50
        HA      77 VAL  HB     4.50
        HA      77 VAL  QG1    5.50
        HA      77 VAL  QG2    5.50
        HB      77 VAL  QG1    5.50
        HB      77 VAL  QG2    5.50
        QG1     82 THR  HG1    5.50
        QG1     33 PHE  HB2    6.00
        QG1     33 PHE  HB3    6.00
        HN      72 ALA  QB     5.50
78 GLU
        HN      79 ALA  HN     3.50
        HN      78 GLU  HA     3.00
        HN      77 VAL  HA     3.50
        HN      78 GLU  HG2    5.50
        HN      78 GLU  HG3    5.50
        HN      78 GLU  QB     5.50
        HN      77 VAL  QG1    5.50
        HN      77 VAL  QG2    5.50
        HN      77 VAL  HB     5.50
        HN      79 ALA  QB     5.50
        HN      82 THR  HG1    5.50
        HA      78 GLU  HB2    4.00
        HA      78 GLU  HB3    4.00
        HA      78 GLU  HG2    5.50
        HA      78 GLU  HG3    5.50
        HB2     78 GLU  HG2    4.00
        HB2     78 GLU  HG3    4.00
        HB3     78 GLU  HG2    4.00
        HB3     78 GLU  HG3    4.00
79 ALA
        HN      78 GLU  HN     3.50
        HN      80 MET  HN     5.50
        HN      79 ALA  HA     3.00
        HN      77 VAL  HA     5.00
        HN      79 ALA  QB     5.50
        HN      77 VAL  QG1    6.00
        HN      77 VAL  QG2    5.50
        HN      78 GLU  QB     5.50
        HN      78 GLU  HG3    5.50
        HN      78 GLU  HG2    5.50
        HN      82 THR  HG1    4.50
        HN      96 VAL  QG1    5.50
        HA      79 ALA  QB     4.50
        HA      96 VAL  QG1    5.50
        HA      80 MET  QE     5.50
        HA      80 MET  HN     3.50
80 MET
        HN      79 ALA  HN     5.50
        HN      80 MET  HA     3.00
        HN      79 ALA  HA     3.50
        HA      80 MET  HB2    4.00
        HA      80 MET  HB3    4.00
        HA      80 MET  HG2    4.50
        HA      80 MET  HG3    4.50
        HB2     80 MET  HG2    4.00
        HB2     80 MET  HG3    4.00
        HB3     80 MET  HG2    4.00
        HB3     80 MET  HG3    4.00
        HA      81 PRO  HA     3.00
        HA      81 PRO  HD2    5.00
        HA      81 PRO  HD3    5.00
        HA      82 THR  HN     3.50
        HA      82 THR  HG1    5.50
        HA      79 ALA  QB     5.50
        HN      79 ALA  QB     4.00
        QE      34 THR  HA     5.50
        HN      82 THR  HG1    5.50
        HN      96 VAL  QG1    5.50
81 PRO
        HA      81 PRO  HB2    3.50
        HA      81 PRO  HB3    3.50
        HA      81 PRO  HG2    4.50
        HA      81 PRO  HG3    4.50
        HA      81 PRO  QD     5.50
        HB2     81 PRO  HG2    4.50
        HB2     81 PRO  HG3    4.50
        HB2     81 PRO  QD     5.50
        HB3     81 PRO  HG2    4.50
        HB3     81 PRO  HG3    4.50
        HB3     81 PRO  QD     5.50
        HG2     81 PRO  QD     5.50
        HG3     81 PRO  QD     5.50
82 THR
        HN      33 PHE  HN     5.50
        HN      82 THR  HA     3.00
        HN      82 THR  HB     4.50
        HN      82 THR  QG2    5.50
        HN      34 THR  HA     5.50
        HN      81 PRO  HA     2.50
        HN      82 THR  HG1    5.50
        HN      83 PHE  HN     5.50
        HN      96 VAL  QG1    5.50
        HN      81 PRO  HB2    4.00
        HN      81 PRO  HB3    4.00
        HN      77 VAL  QG1    6.00
        HN      77 VAL  QG2    6.00
        HN      33 PHE  HB2    5.50
        HN      33 PHE  HB3    5.50
        HA      82 THR  QG2    4.50
        HB      77 VAL  QG1    5.50
        HB      82 THR  QG2    5.50
        HB      33 PHE  HB2    5.50
        HB      33 PHE  HB3    5.50
        HB      82 THR  HA     4.50
        HB      82 THR  HG1    3.50
83 PHE
        HN      83 PHE  HA     3.00
        HN      82 THR  HA     2.50
        HN      96 VAL  HA     4.50
        HN      83 PHE  HB2    3.50
        HN      83 PHE  HB3    5.50
        HN      82 THR  QG2    5.50
        HA      32 ASP  HA     5.50
        HA      83 PHE  HB2    3.50
        HA      83 PHE  HB3    3.50
        HA      82 THR  QG2    5.50
        HA      30 VAL  QG1    5.50
        HB3     83 PHE  HB2    3.50
        HB3     30 VAL  QG1    6.50
        HB2     30 VAL  QG1    6.50
84 ILE 
        HN      83 PHE  HA     2.50
        HN      84 ILE  HA     3.00
        HN      32 ASP  HA     5.50
        HN      83 PHE  HB2    5.50
        HN      83 PHE  HB3    4.50
        HN      84 ILE  HB     4.00
        HN      84 ILE  HG12   5.00
        HN      84 ILE  HG13   4.50
        HN      84 ILE  QG2    5.50
        HN      84 ILE  QD1    5.50
        HN      83 PHE  HN     5.50
        HN      85 PHE  HN     5.50
        HN      30 VAL  QG1    5.50
        HA      94 LYS  HA     5.50
        HA      85 PHE  HN     2.50
        HA      84 ILE  HB     3.50
        HA      84 ILE  HG12   4.50
        HA      84 ILE  QG2    5.50
        HA      84 ILE  QD1    5.50
        HB      85 PHE  HN     5.50
        QG1     84 ILE  QG2    5.50
        QD1     84 ILE  QG2    5.50
        QD1     84 ILE  HG12   4.50
        QD1     84 ILE  HG13   4.50
        QD1     83 PHE  HN     5.50
        QD1     75 TRP  HB2    5.50
        QD1     75 TRP  HB3    5.50
        QD1     77 VAL  QG2    6.00
85 PHE
        HN      93 ASP  HN     5.50
        HN      94 LYS  HA     5.50
        HN      85 PHE  HA     3.00
        HN      85 PHE  HB2    3.50
        HN      85 PHE  HB3    5.50
        HA      85 PHE  HB2    4.00
        HA      85 PHE  HB3    4.00
86 LEU
        HN      29 ILE  HN     5.50
        HN      86 LEU  HA     3.00
        HN      86 LEU  HB2    4.50
        HN      86 LEU  HB3    4.50
        HN      86 LEU  QD1    5.50
        HN      86 LEU  QD2    5.50
        HN      85 PHE  HA     2.50
        HN      30 VAL  HA     5.50
        HN      85 PHE  HB2    5.50
        HN      85 PHE  HB3    5.50
        HN      87 LYS  HN     5.50
        HN      85 PHE  HN     5.50
        HN      28 LEU  QD1    5.50
        HA      86 LEU  HB2    4.50
        HA      86 LEU  HB3    4.50
        HA      86 LEU  QD1    5.50
        HA      86 LEU  QD2    5.50
        HA      92 VAL  QG2    5.50
        HA      92 VAL  QG1    5.50
        HA      91 LEU  HA     5.50
        HA      91 LEU  HN     5.50
        HA      90 LYS  HN     5.50
        HB2     86 LEU  QD1    5.50
        HB2     86 LEU  QD2    5.50
        HB3     86 LEU  QD1    5.50
        HB3     86 LEU  QD2    5.50
87 LYS
        HN      88 ASP  HN     5.50
        HN      90 LYS  HN     5.50
        HN      86 LEU  HA     2.50
        HN      87 LYS  HA     3.00
        HN      86 LEU  QD1    5.50
        HB2     88 ASP  HN     5.50
        HB2     92 VAL  QG1    5.50
        HB2     92 VAL  QG2    6.00
        HB3     88 ASP  HN     5.50
        HB3     92 VAL  QG1    5.50
        HB3     92 VAL  QG2    5.50  
        HN      92 VAL  QG1    5.50
        HN      92 VAL  QG2    5.50
        HN      92 VAL  HB     5.50
88 ASP
        HN      87 LYS  HN     5.50
        HN      90 LYS  HN     5.50
        HN      88 ASP  HA     3.00
        HN      88 ASP  HB2    5.50
        HN      88 ASP  HB3    5.50
        HN      87 LYS  HA     2.50
        HN      28 LEU  HA     5.50
        HN      87 LYS  QG     5.50
        HA      88 ASP  HB2    3.50
        HA      88 ASP  HB3    3.50
        HA      87 LYS  QG     5.50
89 GLY 
        HN      87 LYS  HN     5.50
        HN      90 LYS  HN     3.50
        HN      88 ASP  HA     4.00
        HN      89 GLY  HA1    3.00
        HN      89 GLY  HA2    3.00
        HN      86 LEU  QD1    6.00
        HN      88 ASP  HB2    5.50
        HN      88 ASP  HB3    5.50
        HN      86 LEU  QD1    5.50
90 LYS
        HN      89 GLY  HN     3.50
        HN      87 LYS  HN     5.50
        HN      90 LYS  HA     3.00
        HN      90 LYS  QE     5.50
        HN      90 LYS  HB2    4.50
        HN      90 LYS  HB3    4.50
        HN      90 LYS  QG     5.50
        HA      90 LYS  HB2    3.50
        HA      90 LYS  HB3    3.50
        HA      90 LYS  QG     5.50
        HN      89 GLY  HA1    3.80
        HN      89 GLY  HA2    5.50
        HN      88 ASP  HA     5.50
        HN      86 LEU  QD1    5.50
        HN      92 VAL  QG1    6.00
91 LEU
        HN      90 LYS  HN     5.50
        HN      90 LYS  HA     3.80
        HN      91 LEU  HA     3.00
        HN      91 LEU  HG     4.50
        HN      91 LEU  HB2    4.50
        HN      91 LEU  HB3    4.50
        HN      91 LEU  QD1    5.50
        HN      91 LEU  QD2    5.50
        HA      91 LEU  HB2    5.00
        HA      91 LEU  HB3    5.00
        HA      91 LEU  QD1    5.50
        HA      91 LEU  QD2    5.50
        HB2     91 LEU  QD1    5.50
        HB2     91 LEU  QD2    5.50
        HB3     91 LEU  QD1    5.50
        HB3     91 LEU  QD2    5.50
        HN      92 VAL  HN     5.50
        HN      86 LEU  QD1    5.50
        HN      90 LYS  QG     5.50
        HN      86 LEU  HA     5.50
        HA      86 LEU  QD1    6.00
        HB2     86 LEU  QD1    6.00
92 VAL
        HN      91 LEU  HA     2.50
        HN      93 ASP  HN     3.50
        HN      92 VAL  HA     3.00
        HN      92 VAL  HB     4.50
        HN      92 VAL  QG2    5.50
        HN      92 VAL  QG1    5.50
        HN      86 LEU  HA     5.50
        HN      87 LYS  HN     5.50
        HN      86 LEU  QD1    6.00
        HN      91 LEU  QD1    5.50
        HN      91 LEU  HG     5.50
        HN      91 LEU  HB2    5.50
        HN      91 LEU  HB3    5.50
        HA      91 LEU  HG     5.50
        HA      92 VAL  HB     3.00
        HA      92 VAL  QG1    5.50
        HA      92 VAL  QG2    5.50
        HB      92 VAL  QG1    5.50
        HB      92 VAL  QG2    5.50
93 ASP
        HN      92 VAL  HN     3.50
        HN      85 PHE  HN     5.50
        HN      86 LEU  HA     5.50
        HN      93 ASP  HA     3.00
        HN      92 VAL  HB     5.00
        HN      92 VAL  QG2    5.50
        HN      91 LEU  QD1    5.50
        HN      85 PHE  HB2    5.50
        HN      85 PHE  HB3    5.50
94 LYS
        HN      93 ASP  HN     5.50
        HN      94 LYS  HA     3.00
        HN      93 ASP  HA     3.50
        HN      94 LYS  HB2    4.00
        HN      94 LYS  HB3    4.00
        HN      94 LYS  HG3    4.50
        HN      94 LYS  HG2    4.50
        HA      94 LYS  HB2    4.00
        HA      94 LYS  HB3    4.00
        HA      94 LYS  HG3    4.50
        HA      94 LYS  HG2    4.50
        HB2     94 LYS  HG3    4.00
        HB2     94 LYS  HG2    4.00
        HB3     94 LYS  HG3    4.00
        HB3     94 LYS  HG2    4.00
        HN     106 LEU  QD1    6.00
95 THR
        HN      94 LYS  HN     5.50
        HN      96 VAL  HN     5.50
        HN      94 LYS  HA     2.50
        HN      84 ILE  HA     5.50
        HN      95 THR  HA     3.00
        HN      95 THR  HB     3.50
        HN      95 THR  QG2    5.50
        HN     106 LEU  QD2    5.50
        HN      96 VAL  QG2    5.50
        HN      83 PHE  HB2    5.50
        HN      83 PHE  HB3    5.50
        HA      95 THR  HB     3.00
        HA      95 THR  QG2    5.50
        HB      95 THR  QG2    5.50
        HB     106 LEU  QD1    5.50
96 VAL
        HN      95 THR  HN     5.50
        HN      96 VAL  HA     3.00
        HN      95 THR  HB     4.50
        HN      96 VAL  HB     4.50
        HN      95 THR  QG2    5.50
        HN      96 VAL  QG1    5.50
        HN      96 VAL  QG2    5.50
        HA      96 VAL  HB     4.50
        HA      96 VAL  QG1    5.50
        HA      96 VAL  QG2    5.50
        HB      96 VAL  QG1    5.50
        HB      96 VAL  QG2    5.50
97 GLY
        HN      96 VAL  HN     5.50
        HN      82 THR  HA     5.50
        HN      96 VAL  HA     2.50
        HN      97 GLY  HA1    3.50
        HN      97 GLY  HA2    3.50
        HN      96 VAL  HB     4.50
        HN      96 VAL  QG1    5.50
        HN      96 VAL  QG2    5.50
        HA1     97 GLY  HA2    4.00
        HA1     95 THR  QG2    6.50
        HA1     96 VAL  QG2    6.50
        HA1     96 VAL  QG1    6.50
98 ALA
        HN      99 ASP  HN     5.50
        HN      98 ALA  HA     3.00
        HN      97 GLY  HA2    3.50
        HN      98 ALA  QB     5.50
        HN      44 ILE  QD1    6.50
        HA      98 ALA  QB     3.50
        HA      99 ASP  HB2    5.50
        HA      99 ASP  HB3    5.50
        HA      44 ILE  QD1    6.50
99 ASP
        HN      98 ALA  HN     5.50
        HN      99 ASP  HA     3.00
        HN      98 ALA  HA     3.00
        HN      98 ALA  QB     5.50
        HN      44 ILE  QD1    5.50
        HN     103 LEU  QD2    6.00
        HN      99 ASP  HB2    4.00
        HN      99 ASP  HB3    4.00
        HA      99 ASP  HB2    4.00
        HA      99 ASP  HB3    4.00
        HB2     99 ASP  HA     3.50
        HB3     99 ASP  HA     3.50
100 LYS
        HN      99 ASP  HN     5.50
        HN      99 ASP  HA     5.50
        HN     100 LYS  HA     3.00
        HN     100 LYS  QB     4.50
        HN     100 LYS  QG     5.50
        HN     100 LYS  QD     5.50
        HN      44 ILE  QD1    5.50
        HN      99 ASP  HB2    4.50
        HN      99 ASP  HB3    4.50
        HA     100 LYS  QG     5.50
        HA     100 LYS  QB     5.50
        HA     100 LYS  QD     5.50
        HA      44 ILE  QD1    5.50
        QB     100 LYS  QG     5.50
        QB     100 LYS  QD     5.50
        QG     100 LYS  QD     5.50
101 ASP
        HN     101 ASP  HA     3.00
        HN     101 ASP  HB2    4.00
        HN     101 ASP  HB3    4.00
        HN     100 LYS  QB     5.50
        HN     100 LYS  QG     5.50
        HN     100 LYS  HA     4.50
        HN     102 GLY  HA1    5.50
        HN     102 GLY  HA2    5.50
        HA     101 ASP  HB2    5.50
        HA     101 ASP  HB3    5.50
        HN      47 ILE  QD1    6.50
        HN      44 ILE  QD1    6.50
102 GLY
        HN     102 GLY  HA1    3.50
        HN     102 GLY  HA2    3.50
        HN     101 ASP  HA     4.00
        HN     101 ASP  HB2    4.50
        HN     101 ASP  HB3    4.50
103 LEU
        HN     102 GLY  HN     4.50
        HN     105 THR  HN     5.50
        HN     103 LEU  HA     3.00
        HN     102 GLY  HA1    5.50
        HN     102 GLY  HA2    5.50
        HN     103 LEU  HB2    4.50
        HN     103 LEU  HB3    4.50
        HN     103 LEU  HG     4.50
        HN     103 LEU  QD1    5.50
        HN     103 LEU  QD2    5.50
        HN      44 ILE  QD1    6.00
        HA     103 LEU  HB2    3.50
        HA     103 LEU  HB3    3.50
        HA     103 LEU  HG     4.50
        HA     103 LEU  QD1    5.50
        HA     103 LEU  QD2    5.50
        HB2    103 LEU  HG     4.00
        HB2    103 LEU  QD1    5.50
        HB2    103 LEU  QD2    5.50
        HB3    103 LEU  HG     4.00
        HB3    103 LEU  QD1    5.50
        HB3    103 LEU  QD2    5.50
        HG     103 LEU  QD1    5.50
        HG     103 LEU  QD2    5.50
        HA     105 THR  HN     5.50
        HA     106 LEU  HB2    5.50
        HA     106 LEU  HB3    5.50
104 PRO
        HA    107 VAL  HN      5.50
        HA    108 ALA  HN      5.50
        HA    104 PRO  HD3     5.50
        HA    104 PRO  HB2     3.50
        HA    104 PRO  HB3     3.50
        HA    104 PRO  HG2     4.00
        HA    104 PRO  HG3     4.00
        HD2   103 LEU  HN      4.50
        HD2   102 GLY  HN      5.50
        HD2   104 PRO  HG2     4.00
        HD2   104 PRO  HG3     4.00
        HD2   103 LEU  QB      5.50
        HD3   103 LEU  HN      4.50
        HD3   102 GLY  HN      5.50
        HD3   104 PRO  HG2     4.00
        HD3   104 PRO  HG3     4.00
        HD3   103 LEU  QB      5.50
        HD3   103 LEU  QD1     5.50
105 THR
        HN    106 LEU  HN      3.00     
        HN    105 THR  HB      3.50
        HN    105 THR  HA      3.00
        HN    104 PRO  HA      5.50
        HN    104 PRO  HD2     5.50
        HN    104 PRO  HD3     5.50
        HN    104 PRO  HB2     5.50
        HN    104 PRO  HB3     5.50
        HN    104 PRO  HG2     5.50
        HN    104 PRO  HG3     5.50
        HN    103 LEU  QB      5.50
        HN    105 THR  QG2     5.50
        HA    105 THR  QG2     4.50
        HA    105 THR  HB      3.50
        HA    108 ALA  HN      4.50
        HA    106 LEU  HN      4.50
        HB    105 THR  QG2     4.50
106 LEU
        HN    105 THR  HN      3.50
        HN    105 THR  HB      3.50
        HN    106 LEU  HA      3.00
        HN    106 LEU  HB2     3.50
        HN    106 LEU  HG      4.50
        HN    106 LEU  HB3     3.50
        HN    106 LEU  QD1     5.50
        HN    106 LEU  QD2     5.50
        HN    108 ALA  HN      5.50
        HN    105 THR  QG2     5.50
        HA    106 LEU  HB2     3.50
        HA    106 LEU  HB3     3.50
        HA    106 LEU  HG      4.50
        HA    106 LEU  QD1     5.50
        HA    106 LEU  QD2     5.50
        HB2   106 LEU  HB3     3.50
        HB2   106 LEU  QD1     5.50
        HB2   106 LEU  QD2     5.50
        HB2   105 THR  HN      5.50
        HB3   106 LEU  HG      3.50
        HB3   106 LEU  QD1     5.50
        HB3   106 LEU  QD2     5.50
        HB3   105 THR  HN      5.50
        HG    106 LEU  QD1     5.50
        HG    106 LEU  QD2     5.50
107 VAL
        HN    108 ALA  HN      3.50
        HN    105 THR  HN      4.50
        HN    105 THR  HB      5.50
        HN    106 LEU  HA      3.80
        HN    107 VAL  HA      3.00
        HN    107 VAL  HB      2.50
        HN    107 VAL  QG1     5.50
        HN    107 VAL  QG2     5.50
        HN    109 LYS  HN      5.50
        HA    107 VAL  QG1     5.50
        HA    107 VAL  QG2     5.50
        HA    107 VAL  HB      3.50
        HA    108 ALA  HN      5.50
        HA    110 HIS  HN      5.50
        HB    107 VAL  QG1     5.50
        HB    107 VAL  QG2     5.50
        HB    109 LYS  HN      5.50
        HN    106 LEU  QD1     5.50
        HN    106 LEU  HB2     5.50
108 ALA
        HN    109 LYS  HN      3.50
        HN    107 VAL  HN      3.50
        HN    108 ALA  HA      3.00
        HN    107 VAL  HA      5.50
        HN    107 VAL  HB      4.50
        HN    108 ALA  QB      3.50
        HN    107 VAL  QG1     5.50
        HN    107 VAL  QG2     5.50
        HA    108 ALA  QB      5.50
        HA    111 ALA  HN      5.50
        HA    110 HIS  HN      5.50
        HA    111 ALA  QB      5.50
        QB    110 HIS  HN      5.50
        QB    109 LYS  HN      5.50
        QB    107 VAL  HN      5.50
109 LYS
        HN    108 ALA  HN      3.50
        HN    110 HIS  HN      5.50
        HN    111 ALA  HN      5.50
        HN    109 LYS  HA      3.00
        HA    109 LYS  HB2     4.50
        HA    109 LYS  HB3     4.50
        HA    109 LYS  HG2     4.50
        HA    109 LYS  HG3     4.50
        HB2   109 LYS  HG2     3.50
        HB3   109 LYS  HG3     3.50
        HN    109 LYS  HB2     4.00
        HN    109 LYS  HB3     4.00
        HN    109 LYS  HG2     5.50
        HN    109 LYS  HG3     3.50
110 HIS
        HN    111 ALA  HN      3.50
        HN    109 LYS  HN      5.50
        HN    110 HIS  HA      3.00
        HN    109 LYS  HA      4.00
        HN    110 HIS  HB2     3.50
        HN    110 HIS  HB3     3.50
        HN    109 LYS  HB2     4.50
        HN    109 LYS  HB3     5.00
        HN    107 VAL  QG2     6.00
        HB2   110 HIS  HA      3.50
        HB2    28 LEU  QD1     5.50
        HB3   110 HIS  HA      3.50
        HB3    28 LEU  QD2     5.50
111 ALA
        HN    112 THR  HN      3.50
        HN    110 HIS  HN      3.50
        HN    110 HIS  HA      3.80
        HN    111 ALA  HA      3.00
        HN    109 LYS  HA      5.50
        HN    111 ALA  QB      3.50
        HA     58 VAL  QG2     6.50
        HA     58 VAL  QG1     6.50
        HA     28 LEU  QD2     6.00
        HA    111 ALA  QB      5.50
        QB    112 THR  HN      6.50
        QB     58 VAL  QG2     6.50
        QB     58 VAL  QG1     6.50
        QB     28 LEU  QD2     5.50
        QB    110 HIS  HN      5.50
112 THR
        HN    111 ALA  HN      3.50
        HN    113 ALA  HN      3.50
        HN    112 THR  HA      3.50
        HN    112 THR  HB      4.00
        HN    111 ALA  HA      4.50
        HN    112 THR  QG2     5.50
        HN    110 HIS  HB2     5.50
        HA    112 THR  HB      5.50
        HA    112 THR  QG2     5.50
        HB    112 THR  QG2     5.50
        HB    113 ALA  HN      4.00
113 ALA
        HN    112 THR  HN      3.50
        HN    112 THR  HA      4.00
        HN    113 ALA  HA      4.00
        HN    113 ALA  QB      5.50
        HA    113 ALA  QB      4.50
#
#
#   END
#
#
#
#Liaisons hydrog?ne
#
#
#Feuillet Beta
#
#Beta1
#
60 PHE  HN      5 GLN   O      2.40
60 PHE   N      5 GLN   O      3.50
 7 ILE  HN     60 PHE   O      2.40
 7 ILE   N     60 PHE   O      3.50
62 LYS  HN      7 ILE   O      2.40
62 LYS   N      7 ILE   O      3.50
 9 CYS  HN     62 LYS   O      2.40
 9 CYS   N     62 LYS   O      3.50
64 ASP  HN      9 CYS   O      2.40
64 ASP   N      9 CYS   O      3.50
##
#Beta2
#
28 LEU  HN     57 ASN   O      2.40
28 LEU   N     57 ASN   O      3.50
59 THR  HN     28 LEU   O      2.40
59 THR   N     28 LEU   O      3.50
30 VAL  HN     59 THR   O      2.40
30 VAL   N     59 THR   O      3.50
61 LEU  HN     30 VAL   O      2.40
61 LEU   N     30 VAL   O      3.50
32 ASP  HN     61 LEU   O      2.40
32 ASP   N     61 LEU   O      3.50
63 VAL  HN     32 ASP   O      2.40
63 VAL   N     32 ASP   O      3.50
34 THR  HN     63 VAL   O      2.40
34 THR   N     63 VAL   O      3.50
65 VAL  HN     34 THR   O      2.40
65 VAL   N     34 THR   O      3.50
#
#Beta3
#
88 ASP  HN     27 LYS   O      2.40
88 ASP   N     27 LYS   O      3.50
29 ILE  HN     86 LEU   O      2.40
29 ILE   N     86 LEU   O      3.50
86 LEU  HN     29 ILE   O      2.40
86 LEU   N     29 ILE   O      3.50
31 VAL  HN     84 ILE   O      2.40
31 VAL   N     84 ILE   O      3.50
84 ILE  HN     31 VAL   O      2.40
84 ILE   N     31 VAL   O      3.50
33 PHE  HN     82 THR   O      2.40
33 PHE   N     82 THR   O      3.50
82 THR  HN     33 PHE   O      2.40
82 THR   N     33 PHE   O      3.50
#
#Beta4
#
93 ASP  HN     85 PHE   O      2.40
93 ASP   N     85 PHE   O      3.50
85 PHE  HN     93 ASP   O      2.40
85 PHE   N     93 ASP   O      3.50
95 THR  HN     83 PHE   O      2.40
95 THR   N     83 PHE   O      3.50
83 PHE  HN     95 THR   O      2.40
83 PHE   N     95 THR   O      3.50
97 GLY  HN     81 PRO   O      2.40
97 GLY   N     81 PRO   O      3.50
#
#
#H?lices alpha
#
#
12 VAL   O     16 LYS  HN      2.40
12 VAL   O     16 LYS   N      3.30
13 ASP   O     17 GLU  HN      2.40
13 ASP   O     17 GLU   N      3.30
14 THR   O     18 HIS  HN      2.40
14 THR   O     18 HIS   N      3.30
17 GLU   O     21 LYS  HN      2.40
17 GLU   O     21 LYS   N      3.30
18 HIS   O     22 GLY  HN      2.40
18 HIS   O     22 GLY   N      3.30
19 PHE   O     23 LYS  HN      2.40
19 PHE   O     23 LYS   N      3.30
21 LYS   O     25 SER  HN      2.40
21 LYS   O     25 SER   N      3.30
##
38 CYS   SG    41 CYS  HN      2.40
38 CYS   SG    41 CYS   N      3.30
38 CYS   O     42 LYS  HN      2.40
38 CYS   O     42 LYS   N      3.30
39 PRO   O     43 MET  HN      2.40
39 PRO   O     43 MET   N      3.30
40 PRO   O     44 ILE  HN      2.40
40 PRO   O     44 ILE   N      3.30
41 CYS   O     45 ALA  HN      2.40
41 CYS   O     45 ALA   N      3.30
43 MET   O     47 ILE  HN      2.40      
43 MET   O     47 ILE   N      3.30      
44 ILE   O     48 PHE  HN      2.40
44 ILE   O     48 PHE   N      3.30
45 ALA   O     49 ALA  HN      2.40
45 ALA   O     49 ALA   N      3.30
46 PRO   O     50 GLU  HN      2.40
46 PRO   O     50 GLU   N      3.30
47 ILE   O     51 LEU  HN      2.40
47 ILE   O     51 LEU   N      3.30
48 PHE   O     52 ALA  HN      2.40
48 PHE   O     52 ALA   N      3.30
49 ALA   O     53 LYS  HN      2.40
49 ALA   O     53 LYS   N      3.30
50 GLU   O     54 LYS  HN      2.40
50 GLU   O     54 LYS   N      3.30
51 LEU   O     55 PHE  HN      2.40
51 LEU   O     55 PHE   N      3.30
##
##
65 VAL   O     68 LEU  HN      2.40
65 VAL   O     68 LEU   N      3.30
68 LEU   O     72 ALA  HN      2.40
68 LEU   O     72 ALA   N      3.30
69 LYS   O     73 GLU  HN      2.40
69 LYS   O     73 GLU   N      3.30
70 ALA   O     74 GLU  HN      2.40
70 ALA   O     74 GLU   N      3.30
71 VAL   O     75 TRP  HN      2.40
71 VAL   O     75 TRP   N      3.30
72 ALA   O     76 ASN  HN      2.40
72 ALA   O     76 ASN   N      3.30
73 GLU   O     77 VAL  HN      2.40
73 GLU   O     77 VAL   N      3.30
##
##
101 ASP  O    105 THR  HN      2.40
101 ASP  O    105 THR   N      3.30
102 GLY  O    106 LEU  HN      2.40
102 GLY  O    106 LEU   N      3.30
103 LEU  O    107 VAL  HN      2.40
103 LEU  O    107 VAL   N      3.30
104 PRO  O    108 ALA  HN      2.40
104 PRO  O    108 ALA   N      3.30
105 THR  O    109 LYS  HN      2.40
105 THR  O    109 LYS   N      3.30
106 LEU  O    110 HIS  HN      2.40
106 LEU  O    110 HIS   N      3.30
107 VAL  O    111 ALA  HN      2.40
107 VAL  O    111 ALA   N      3.30
108 ALA  O    112 THR  HN      2.40
108 ALA  O    112 THR   N      3.30
##
##
 37 TRP  HE1     66 ASP  OD1    2.40
 37 TRP  NE1     66 ASP  OD1    3.30
#
#
# Galere
#
#
18 HIS
        HN     61 LEU  QD1     5.50
        HN     61 LEU  QD2     6.00
19 PHE
        HN     29 ILE  QD1     5.50
        HN     61 LEU  QD2     6.00
        HA     29 ILE  QD1     5.50
21 LYS
#        HN     86 LEU  QD1     5.50
22 GLY
        HN     86 LEU  QD1     5.50
#        HN     89 GLY  HN      6.00
23 LYS
#        HN     86 LEU  QD1     5.50
        HN     89 GLY  HN      6.00
        HA     89 GLY  HN      5.50
24 GLY
        HN     88 ASP  HN      6.00
        HN     88 ASP  HB2     5.50
        HN     88 ASP  HB3     5.50
25 SER
        HN     88 ASP  HN      5.50
        HN     88 ASP  HB2     5.50
26 GLN
        HN     88 ASP  HB2     5.50
        HE21   88 ASP  HB2     5.50
        HE22   88 ASP  HB2     5.50





















  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1 -12.768  10.330  16.211
    2   2H    ALA   1          2H        ALA   1 -13.185   8.881  16.878
    3    HA   ALA   1           HA       ALA   1 -10.429   9.740  16.521
    4   1HB   ALA   1          1HB       ALA   1 -10.059   7.297  17.520
    5   2HB   ALA   1          2HB       ALA   1 -10.717   8.456  18.758
    6   3HB   ALA   1          3HB       ALA   1 -11.750   7.293  18.010
    7    H    GLU   2           H        GLU   2 -10.220   9.509  14.485
    8    HA   GLU   2           HA       GLU   2 -11.379   7.290  12.829
    9   1HB   GLU   2          1HB       GLU   2 -12.725   9.354  12.780
   10   2HB   GLU   2          2HB       GLU   2 -11.404  10.314  12.064
   11   1HG   GLU   2          1HG       GLU   2 -11.334   8.810  10.138
   12   2HG   GLU   2          2HG       GLU   2 -12.763   7.871  10.740
   13    HE2  GLU   2           HE       GLU   2 -13.575  10.384   8.064
   14    H    GLU   3           H        GLU   3  -9.742   6.279  11.992
   15    HA   GLU   3           HA       GLU   3  -7.408   7.679  10.692
   16   1HB   GLU   3          1HB       GLU   3  -5.856   6.051  11.766
   17   2HB   GLU   3          2HB       GLU   3  -6.606   7.236  12.785
   18   1HG   GLU   3          1HG       GLU   3  -8.220   5.294  13.484
   19   2HG   GLU   3          2HG       GLU   3  -7.247   4.213  12.661
   20    HE2  GLU   3           HE       GLU   3  -5.401   3.689  15.439
   21    H    GLY   4           H        GLY   4  -6.043   5.974   9.716
   22   1HA   GLY   4          1HA       GLY   4  -7.318   4.084   7.778
   23   2HA   GLY   4          2HA       GLY   4  -5.721   4.869   7.650
   24    H    GLN   5           H        GLN   5  -6.192   2.059   7.615
   25    HA   GLN   5           HA       GLN   5  -5.188   0.926  10.145
   26   1HB   GLN   5          1HB       GLN   5  -6.852  -0.704  10.392
   27   2HB   GLN   5          2HB       GLN   5  -7.761   0.779  10.136
   28   1HG   GLN   5          1HG       GLN   5  -8.016   0.099   7.752
   29   2HG   GLN   5          2HG       GLN   5  -7.403  -1.453   8.231
   30   1HE2  GLN   5          1HE2      GLN   5 -10.215   0.714   8.783
   31   2HE2  GLN   5          2HE2      GLN   5 -11.151  -0.686   9.395
   32    H    VAL   6           H        VAL   6  -3.395   0.185   9.648
   33    HA   VAL   6           HA       VAL   6  -2.727  -1.107   7.027
   34    HB   VAL   6           HB       VAL   6  -0.786  -1.016   9.475
   35   1HG1  VAL   6          1HG1      VAL   6   0.910  -1.033   7.595
   36   2HG1  VAL   6          2HG1      VAL   6  -0.178  -2.453   7.524
   37   3HG1  VAL   6          3HG1      VAL   6  -0.356  -1.226   6.448
   38   1HG2  VAL   6          1HG2      VAL   6  -1.192   1.342   7.553
   39   2HG2  VAL   6          2HG2      VAL   6  -1.391   1.308   9.241
   40   3HG2  VAL   6          3HG2      VAL   6   0.232   0.974   8.566
   41    H    ILE   7           H        ILE   7  -3.433  -2.984   6.651
   42    HA   ILE   7           HA       ILE   7  -3.633  -5.155   8.679
   43    HB   ILE   7           HB       ILE   7  -5.709  -4.170   7.716
   44   1HG1  ILE   7          1HG1      ILE   7  -5.939  -5.942   9.103
   45   2HG1  ILE   7          2HG1      ILE   7  -7.027  -6.206   7.749
   46   1HG2  ILE   7          1HG2      ILE   7  -6.611  -4.744   5.693
   47   2HG2  ILE   7          2HG2      ILE   7  -4.957  -4.006   5.399
   48   3HG2  ILE   7          3HG2      ILE   7  -5.167  -5.788   5.166
   49   1HD1  ILE   7          1HD1      ILE   7  -5.423  -7.858   6.691
   50   2HD1  ILE   7          2HD1      ILE   7  -4.449  -7.860   8.088
   51   3HD1  ILE   7          3HD1      ILE   7  -6.115  -8.411   8.186
   52    H    ALA   8           H        ALA   8  -2.063  -6.674   8.374
   53    HA   ALA   8           HA       ALA   8  -0.267  -7.227   6.207
   54   1HB   ALA   8          1HB       ALA   8   0.278  -9.111   7.748
   55   2HB   ALA   8          2HB       ALA   8  -0.087  -7.645   8.650
   56   3HB   ALA   8          3HB       ALA   8  -1.263  -8.937   8.541
   57    H    CYS   9           H        CYS   9  -0.358  -8.664   4.662
   58    HA   CYS   9           HA       CYS   9  -2.739 -10.381   4.088
   59   1HB   CYS   9          1HB       CYS   9  -1.253  -8.261   2.425
   60   2HB   CYS   9          2HB       CYS   9  -2.416  -9.364   1.758
   61    HG   CYS   9           HG       CYS   9  -4.015  -8.318   4.183
   62    H    HIS  10           H        HIS  10  -2.601 -12.144   2.514
   63    HA   HIS  10           HA       HIS  10   0.112 -13.491   2.521
   64   1HB   HIS  10          1HB       HIS  10  -2.518 -14.419   3.695
   65   2HB   HIS  10          2HB       HIS  10  -1.011 -15.392   3.734
   66    HD1  HIS  10           1HD      HIS  10  -2.915 -13.067   5.776
   67    HD2  HIS  10           2HD      HIS  10   1.047 -14.460   5.228
   68    HE1  HIS  10           1HE      HIS  10  -1.354 -12.464   7.930
   69    H    THR  11           H        THR  11  -3.180 -13.421   1.008
   70    HA   THR  11           HA       THR  11  -2.550 -15.665  -0.776
   71    HB   THR  11           HB       THR  11  -4.694 -16.968   0.024
   72    HG1  THR  11           1HG      THR  11  -4.889 -15.694   2.426
   73   1HG2  THR  11          1HG2      THR  11  -4.019 -18.020   2.033
   74   2HG2  THR  11          2HG2      THR  11  -2.674 -17.876   0.883
   75   3HG2  THR  11          3HG2      THR  11  -2.849 -16.806   2.320
   76    H    VAL  12           H        VAL  12  -4.998 -16.257  -1.933
   77    HA   VAL  12           HA       VAL  12  -6.032 -14.118  -3.293
   78    HB   VAL  12           HB       VAL  12  -6.410 -16.391  -4.011
   79   1HG1  VAL  12          1HG1      VAL  12  -8.738 -16.619  -1.956
   80   2HG1  VAL  12          2HG1      VAL  12  -8.108 -17.898  -2.990
   81   3HG1  VAL  12          3HG1      VAL  12  -7.129 -17.305  -1.658
   82   1HG2  VAL  12          1HG2      VAL  12  -8.929 -14.758  -3.924
   83   2HG2  VAL  12          2HG2      VAL  12  -7.695 -14.694  -5.266
   84   3HG2  VAL  12          3HG2      VAL  12  -8.730 -16.102  -5.013
   85    H    ASP  13           H        ASP  13  -6.622 -14.599  -0.043
   86    HA   ASP  13           HA       ASP  13  -9.170 -13.019   0.324
   87   1HB   ASP  13          1HB       ASP  13  -6.886 -13.655   2.294
   88   2HB   ASP  13          2HB       ASP  13  -8.266 -12.741   2.793
   89    HD2  ASP  13           HD       ASP  13 -10.205 -13.827   3.265
   90    H    THR  14           H        THR  14  -5.777 -11.905   0.588
   91    HA   THR  14           HA       THR  14  -6.643  -9.155   0.517
   92    HB   THR  14           HB       THR  14  -4.355  -9.873   0.993
   93    HG1  THR  14           1HG      THR  14  -3.492  -8.029   0.094
   94   1HG2  THR  14          1HG2      THR  14  -3.988  -9.492  -1.994
   95   2HG2  THR  14          2HG2      THR  14  -2.629  -9.816  -0.874
   96   3HG2  THR  14          3HG2      THR  14  -3.815 -11.116  -1.272
   97    H    TRP  15           H        TRP  15  -6.719 -11.293  -2.268
   98    HA   TRP  15           HA       TRP  15  -7.208  -9.188  -4.337
   99   1HB   TRP  15          1HB       TRP  15  -7.637 -12.218  -4.202
  100   2HB   TRP  15          2HB       TRP  15  -8.629 -11.320  -5.255
  101    HD1  TRP  15           HD       TRP  15  -4.895 -12.132  -4.893
  102    HE1  TRP  15           1HE      TRP  15  -3.607 -11.630  -7.188
  103    HE3  TRP  15           3HE      TRP  15  -8.783  -9.778  -7.157
  104    HZ2  TRP  15           2HZ      TRP  15  -4.390 -10.306  -9.473
  105    HZ3  TRP  15           3HZ      TRP  15  -8.374  -8.732  -9.450
  106    HH2  TRP  15           HH       TRP  15  -6.157  -8.848 -10.436
  107    H    LYS  16           H        LYS  16  -9.228 -10.904  -2.102
  108    HA   LYS  16           HA       LYS  16 -11.630  -9.433  -2.824
  109   1HB   LYS  16          1HB       LYS  16 -11.122 -10.553  -0.096
  110   2HB   LYS  16          2HB       LYS  16 -12.621  -9.772  -0.718
  111   1HG   LYS  16          1HG       LYS  16 -13.010 -11.649  -2.356
  112   2HG   LYS  16          2HG       LYS  16 -11.502 -12.392  -2.056
  113   1HD   LYS  16          1HD       LYS  16 -13.786 -12.238   0.007
  114   2HD   LYS  16          2HD       LYS  16 -13.552 -13.563  -1.004
  115   1HE   LYS  16          1HE       LYS  16 -11.325 -14.077   0.198
  116   2HE   LYS  16          2HE       LYS  16 -11.372 -12.339   0.995
  117   1HZ   LYS  16          1HZ       LYS  16 -13.447 -13.230   2.157
  118   2HZ   LYS  16          2HZ       LYS  16 -13.168 -14.753   1.512
  119    H    GLU  17           H        GLU  17  -9.219  -8.680  -0.300
  120    HA   GLU  17           HA       GLU  17 -10.583  -6.382   0.690
  121   1HB   GLU  17          1HB       GLU  17  -7.562  -7.209   1.047
  122   2HB   GLU  17          2HB       GLU  17  -8.272  -5.802   1.821
  123   1HG   GLU  17          1HG       GLU  17  -9.969  -7.421   2.888
  124   2HG   GLU  17          2HG       GLU  17  -9.243  -8.805   2.142
  125    HE2  GLU  17           HE       GLU  17  -7.536  -6.772   5.116
  126    H    HIS  18           H        HIS  18  -7.693  -6.611  -1.372
  127    HA   HIS  18           HA       HIS  18  -7.171  -3.688  -1.771
  128   1HB   HIS  18          1HB       HIS  18  -5.368  -5.303  -1.976
  129   2HB   HIS  18          2HB       HIS  18  -6.073  -6.258  -3.240
  130    HD1  HIS  18           1HD      HIS  18  -6.467  -4.705  -5.591
  131    HD2  HIS  18           2HD      HIS  18  -3.554  -3.572  -2.680
  132    HE1  HIS  18           1HE      HIS  18  -4.632  -3.187  -6.729
  133    H    PHE  19           H        PHE  19  -8.576  -6.006  -3.869
  134    HA   PHE  19           HA       PHE  19  -9.057  -4.092  -6.013
  135   1HB   PHE  19          1HB       PHE  19  -8.548  -6.543  -6.260
  136   2HB   PHE  19          2HB       PHE  19 -10.251  -6.797  -5.773
  137    HD1  PHE  19           1HD      PHE  19 -12.006  -6.507  -7.594
  138    HD2  PHE  19           2HD      PHE  19  -8.072  -5.002  -8.240
  139    HE1  PHE  19           1HE      PHE  19 -12.555  -6.068  -9.941
  140    HE2  PHE  19           2HE      PHE  19  -8.506  -4.745 -10.673
  141    HZ   PHE  19           HZ       PHE  19 -10.802  -5.272 -11.516
  142    H    GLU  20           H        GLU  20 -11.367  -5.656  -3.910
  143    HA   GLU  20           HA       GLU  20 -13.692  -4.131  -4.714
  144   1HB   GLU  20          1HB       GLU  20 -13.916  -5.873  -2.259
  145   2HB   GLU  20          2HB       GLU  20 -15.187  -5.080  -3.229
  146   1HG   GLU  20          1HG       GLU  20 -13.420  -7.383  -4.205
  147   2HG   GLU  20          2HG       GLU  20 -15.147  -7.443  -3.736
  148    HE2  GLU  20           HE       GLU  20 -16.225  -5.626  -6.569
  149    H    LYS  21           H        LYS  21 -11.626  -3.607  -1.904
  150    HA   LYS  21           HA       LYS  21 -13.133  -1.193  -1.046
  151   1HB   LYS  21          1HB       LYS  21 -10.124  -1.626  -0.747
  152   2HB   LYS  21          2HB       LYS  21 -10.944  -0.296  -0.134
  153   1HG   LYS  21          1HG       LYS  21 -11.512  -3.228   0.602
  154   2HG   LYS  21          2HG       LYS  21 -10.508  -2.080   1.573
  155   1HD   LYS  21          1HD       LYS  21 -12.261  -0.689   2.276
  156   2HD   LYS  21          2HD       LYS  21 -13.392  -1.503   1.258
  157   1HE   LYS  21          1HE       LYS  21 -13.786  -2.074   3.628
  158   2HE   LYS  21          2HE       LYS  21 -13.314  -3.572   2.550
  159   1HZ   LYS  21          1HZ       LYS  21 -11.324  -3.645   3.671
  160   2HZ   LYS  21          2HZ       LYS  21 -11.160  -2.080   3.968
  161    H    GLY  22           H        GLY  22 -10.165  -1.399  -3.185
  162   1HA   GLY  22          1HA       GLY  22  -9.939   1.243  -4.032
  163   2HA   GLY  22          2HA       GLY  22  -9.392  -0.061  -5.062
  164    H    LYS  23           H        LYS  23 -10.947  -1.053  -6.591
  165    HA   LYS  23           HA       LYS  23 -13.170   0.651  -7.681
  166   1HB   LYS  23          1HB       LYS  23 -11.611  -0.726  -9.104
  167   2HB   LYS  23          2HB       LYS  23 -12.323  -2.230  -8.486
  168   1HG   LYS  23          1HG       LYS  23 -14.505  -0.369  -9.347
  169   2HG   LYS  23          2HG       LYS  23 -13.242  -0.171 -10.505
  170   1HD   LYS  23          1HD       LYS  23 -14.421  -2.856  -9.599
  171   2HD   LYS  23          2HD       LYS  23 -15.171  -1.972 -10.872
  172   1HE   LYS  23          1HE       LYS  23 -12.257  -3.055 -10.979
  173   2HE   LYS  23          2HE       LYS  23 -13.664  -3.770 -11.813
  174   1HZ   LYS  23          1HZ       LYS  23 -13.916  -1.989 -13.216
  175   2HZ   LYS  23          2HZ       LYS  23 -12.806  -1.150 -12.395
  176    H    GLY  24           H        GLY  24 -14.304   0.848  -5.938
  177   1HA   GLY  24          1HA       GLY  24 -16.667  -0.391  -6.080
  178   2HA   GLY  24          2HA       GLY  24 -15.942  -1.490  -4.859
  179    H    SER  25           H        SER  25 -14.571   1.002  -3.994
  180    HA   SER  25           HA       SER  25 -16.667   2.294  -2.233
  181   1HB   SER  25          1HB       SER  25 -14.014   1.096  -1.236
  182   2HB   SER  25          2HB       SER  25 -14.955   2.462  -0.550
  183    HG   SER  25           HG       SER  25 -16.490   1.128   0.042
  184    H    GLN  26           H        GLN  26 -16.501   4.305  -2.245
  185    HA   GLN  26           HA       GLN  26 -14.499   6.074  -3.599
  186   1HB   GLN  26          1HB       GLN  26 -16.738   6.821  -1.617
  187   2HB   GLN  26          2HB       GLN  26 -15.634   7.815  -2.541
  188   1HG   GLN  26          1HG       GLN  26 -17.639   7.867  -3.580
  189   2HG   GLN  26          2HG       GLN  26 -16.427   7.092  -4.718
  190   1HE2  GLN  26          1HE2      GLN  26 -17.504   5.367  -5.802
  191   2HE2  GLN  26          2HE2      GLN  26 -19.044   4.496  -5.244
  192    H    LYS  27           H        LYS  27 -12.607   5.014  -2.574
  193    HA   LYS  27           HA       LYS  27 -11.373   6.871  -0.681
  194   1HB   LYS  27          1HB       LYS  27 -10.482   5.125   0.768
  195   2HB   LYS  27          2HB       LYS  27 -12.312   5.201   0.860
  196   1HG   LYS  27          1HG       LYS  27 -12.455   3.115  -0.555
  197   2HG   LYS  27          2HG       LYS  27 -10.669   3.027  -0.531
  198   1HD   LYS  27          1HD       LYS  27 -11.601   1.502   1.115
  199   2HD   LYS  27          2HD       LYS  27 -10.675   2.723   1.994
  200   1HE   LYS  27          1HE       LYS  27 -13.327   3.741   2.300
  201   2HE   LYS  27          2HE       LYS  27 -13.715   2.223   1.700
  202   1HZ   LYS  27          1HZ       LYS  27 -12.439   1.230   3.654
  203   2HZ   LYS  27          2HZ       LYS  27 -12.009   2.787   4.156
  204    H    LEU  28           H        LEU  28  -9.201   6.795  -0.550
  205    HA   LEU  28           HA       LEU  28  -7.659   5.531  -2.832
  206   1HB   LEU  28          1HB       LEU  28  -7.074   7.918  -2.031
  207   2HB   LEU  28          2HB       LEU  28  -6.572   7.311  -0.454
  208    HG   LEU  28           HG       LEU  28  -4.739   6.041  -1.291
  209   1HD1  LEU  28          1HD1      LEU  28  -4.047   6.159  -3.568
  210   2HD1  LEU  28          2HD1      LEU  28  -5.647   5.470  -3.749
  211   3HD1  LEU  28          3HD1      LEU  28  -5.376   7.215  -4.135
  212   1HD2  LEU  28          1HD2      LEU  28  -4.684   8.607  -0.767
  213   2HD2  LEU  28          2HD2      LEU  28  -3.318   8.030  -1.741
  214   3HD2  LEU  28          3HD2      LEU  28  -4.673   8.844  -2.572
  215    H    ILE  29           H        ILE  29  -6.290   3.838  -2.432
  216    HA   ILE  29           HA       ILE  29  -6.027   2.600   0.268
  217    HB   ILE  29           HB       ILE  29  -6.488   0.529  -0.237
  218   1HG1  ILE  29          1HG1      ILE  29  -7.318   0.695  -3.207
  219   2HG1  ILE  29          2HG1      ILE  29  -5.627   0.674  -2.911
  220   1HG2  ILE  29          1HG2      ILE  29  -8.757   0.125  -0.776
  221   2HG2  ILE  29          2HG2      ILE  29  -8.615   1.788  -0.037
  222   3HG2  ILE  29          3HG2      ILE  29  -8.901   1.624  -1.801
  223   1HD1  ILE  29          1HD1      ILE  29  -6.050  -1.636  -3.087
  224   2HD1  ILE  29          2HD1      ILE  29  -5.772  -1.401  -1.458
  225   3HD1  ILE  29          3HD1      ILE  29  -7.432  -1.508  -1.942
  226    H    VAL  30           H        VAL  30  -4.089   1.725   0.544
  227    HA   VAL  30           HA       VAL  30  -1.958   2.238  -1.531
  228    HB   VAL  30           HB       VAL  30  -1.939   3.414   1.233
  229   1HG1  VAL  30          1HG1      VAL  30   0.419   3.671  -0.822
  230   2HG1  VAL  30          2HG1      VAL  30   0.278   4.392   0.819
  231   3HG1  VAL  30          3HG1      VAL  30   0.453   2.690   0.478
  232   1HG2  VAL  30          1HG2      VAL  30  -1.731   5.623  -0.318
  233   2HG2  VAL  30          2HG2      VAL  30  -2.210   4.641  -1.724
  234   3HG2  VAL  30          3HG2      VAL  30  -3.219   4.807  -0.192
  235    H    VAL  31           H        VAL  31  -0.533   0.778  -1.477
  236    HA   VAL  31           HA       VAL  31  -0.408  -1.277   0.580
  237    HB   VAL  31           HB       VAL  31  -1.941  -2.177  -0.777
  238   1HG1  VAL  31          1HG1      VAL  31  -1.532  -1.084  -3.043
  239   2HG1  VAL  31          2HG1      VAL  31  -0.138  -1.964  -3.159
  240   3HG1  VAL  31          3HG1      VAL  31  -1.547  -2.969  -3.205
  241   1HG2  VAL  31          1HG2      VAL  31  -1.132  -4.528  -1.177
  242   2HG2  VAL  31          2HG2      VAL  31   0.605  -3.960  -1.276
  243   3HG2  VAL  31          3HG2      VAL  31  -0.127  -3.854   0.169
  244    H    ASP  32           H        ASP  32   1.624  -1.761   1.099
  245    HA   ASP  32           HA       ASP  32   3.974  -1.197  -0.678
  246   1HB   ASP  32          1HB       ASP  32   3.722  -1.127   2.163
  247   2HB   ASP  32          2HB       ASP  32   3.938  -2.832   1.999
  248    HD2  ASP  32           HD       ASP  32   7.203  -0.590   0.685
  249    H    PHE  33           H        PHE  33   5.270  -2.940  -1.676
  250    HA   PHE  33           HA       PHE  33   4.583  -5.847  -1.569
  251   1HB   PHE  33          1HB       PHE  33   5.118  -3.855  -3.895
  252   2HB   PHE  33          2HB       PHE  33   5.295  -5.611  -3.904
  253    HD1  PHE  33           1HD      PHE  33   3.380  -7.057  -3.248
  254    HD2  PHE  33           2HD      PHE  33   2.799  -2.928  -4.407
  255    HE1  PHE  33           1HE      PHE  33   0.998  -7.530  -3.508
  256    HE2  PHE  33           2HE      PHE  33   0.614  -3.492  -4.838
  257    HZ   PHE  33           HZ       PHE  33  -0.441  -5.777  -4.551
  258    H    THR  34           H        THR  34   6.021  -6.783  -0.415
  259    HA   THR  34           HA       THR  34   8.849  -5.944  -0.041
  260    HB   THR  34           HB       THR  34   7.999  -4.244   1.301
  261    HG1  THR  34           1HG      THR  34   8.967  -6.210   2.909
  262   1HG2  THR  34          1HG2      THR  34   5.798  -4.972   2.194
  263   2HG2  THR  34          2HG2      THR  34   6.586  -6.495   2.657
  264   3HG2  THR  34          3HG2      THR  34   6.964  -5.086   3.658
  265    H    ALA  35           H        ALA  35   9.877  -7.569   0.160
  266    HA   ALA  35           HA       ALA  35   9.090 -10.165   1.183
  267   1HB   ALA  35          1HB       ALA  35  10.654  -9.683  -0.640
  268   2HB   ALA  35          2HB       ALA  35  11.748  -8.840   0.573
  269   3HB   ALA  35          3HB       ALA  35  11.328 -10.602   0.802
  270    H    SER  36           H        SER  36   8.998 -10.990   3.095
  271    HA   SER  36           HA       SER  36   9.166  -9.674   5.624
  272   1HB   SER  36          1HB       SER  36   7.973 -11.643   5.274
  273   2HB   SER  36          2HB       SER  36   9.419 -12.534   4.913
  274    HG   SER  36           HG       SER  36   8.307 -11.924   7.225
  275    H    TRP  37           H        TRP  37  11.811 -11.328   3.977
  276    HA   TRP  37           HA       TRP  37  13.966 -10.086   5.651
  277   1HB   TRP  37          1HB       TRP  37  15.528 -10.769   4.072
  278   2HB   TRP  37          2HB       TRP  37  14.671 -12.126   4.621
  279    HD1  TRP  37           HD       TRP  37  12.714 -13.253   2.982
  280    HE1  TRP  37           1HE      TRP  37  12.391 -13.481   0.359
  281    HE3  TRP  37           3HE      TRP  37  16.160  -9.690   1.662
  282    HZ2  TRP  37           2HZ      TRP  37  13.764 -12.279  -1.873
  283    HZ3  TRP  37           3HZ      TRP  37  16.789  -9.496  -0.752
  284    HH2  TRP  37           HH       TRP  37  15.500 -10.752  -2.438
  285    H    CYS  38           H        CYS  38  13.627  -8.106   5.750
  286    HA   CYS  38           HA       CYS  38  14.864  -6.223   3.988
  287   1HB   CYS  38          1HB       CYS  38  13.046  -6.314   2.448
  288   2HB   CYS  38          2HB       CYS  38  11.791  -5.818   3.588
  289    HG   CYS  38           HG       CYS  38  14.296  -4.014   2.259
  290    HA   PRO  39           HA       PRO  39  14.448  -4.756   8.371
  291   1HB   PRO  39          1HB       PRO  39  17.248  -3.721   7.804
  292   2HB   PRO  39          2HB       PRO  39  16.486  -4.637   9.138
  293   1HG   PRO  39          1HG       PRO  39  18.187  -5.756   7.233
  294   2HG   PRO  39          2HG       PRO  39  16.969  -6.727   8.195
  295   1HD   PRO  39          1HD       PRO  39  16.843  -5.300   5.411
  296   2HD   PRO  39          2HD       PRO  39  16.361  -6.977   5.762
  297    HA   PRO  40           HA       PRO  40  14.799  -0.088   6.210
  298   1HB   PRO  40          1HB       PRO  40  14.537  -1.290   3.350
  299   2HB   PRO  40          2HB       PRO  40  15.081   0.390   3.839
  300   1HG   PRO  40          1HG       PRO  40  16.956  -1.286   3.518
  301   2HG   PRO  40          2HG       PRO  40  16.978  -0.523   5.097
  302   1HD   PRO  40          1HD       PRO  40  15.724  -3.394   4.442
  303   2HD   PRO  40          2HD       PRO  40  17.061  -2.901   5.677
  304    H    CYS  41           H        CYS  41  12.687  -2.527   4.714
  305    HA   CYS  41           HA       CYS  41  10.303  -0.919   5.097
  306   1HB   CYS  41          1HB       CYS  41  10.266  -3.684   4.301
  307   2HB   CYS  41          2HB       CYS  41   8.758  -2.853   4.594
  308    HG   CYS  41           HG       CYS  41  10.026  -3.050   2.079
  309    H    LYS  42           H        LYS  42  11.797  -3.251   7.178
  310    HA   LYS  42           HA       LYS  42   9.850  -3.459   9.264
  311   1HB   LYS  42          1HB       LYS  42  11.967  -4.774   8.865
  312   2HB   LYS  42          2HB       LYS  42  12.873  -3.503   9.687
  313   1HG   LYS  42          1HG       LYS  42  11.508  -3.907  11.758
  314   2HG   LYS  42          2HG       LYS  42  10.692  -5.270  10.867
  315   1HD   LYS  42          1HD       LYS  42  13.249  -6.137  10.470
  316   2HD   LYS  42          2HD       LYS  42  13.775  -4.891  11.542
  317   1HE   LYS  42          1HE       LYS  42  13.550  -6.885  12.946
  318   2HE   LYS  42          2HE       LYS  42  12.111  -6.030  13.338
  319   1HZ   LYS  42          1HZ       LYS  42  11.093  -7.403  11.493
  320   2HZ   LYS  42          2HZ       LYS  42  12.417  -8.476  11.678
  321    H    MET  43           H        MET  43  12.293  -1.046   8.971
  322    HA   MET  43           HA       MET  43  11.274   0.716  11.113
  323   1HB   MET  43          1HB       MET  43  12.436   2.598  10.290
  324   2HB   MET  43          2HB       MET  43  13.307   1.298  10.691
  325   1HG   MET  43          1HG       MET  43  13.692   0.598   8.277
  326   2HG   MET  43          2HG       MET  43  12.479   1.861   7.873
  327   1HE   MET  43          1HE       MET  43  15.273   4.131   6.477
  328   2HE   MET  43          2HE       MET  43  15.027   2.345   6.102
  329   3HE   MET  43          3HE       MET  43  13.659   3.492   6.345
  330    H    ILE  44           H        ILE  44  10.714   0.786   7.638
  331    HA   ILE  44           HA       ILE  44   8.581   2.726   7.409
  332    HB   ILE  44           HB       ILE  44  10.134   1.303   5.521
  333   1HG1  ILE  44          1HG1      ILE  44   8.918   2.985   3.949
  334   2HG1  ILE  44          2HG1      ILE  44   7.995   3.419   5.351
  335   1HG2  ILE  44          1HG2      ILE  44   7.189   0.815   4.678
  336   2HG2  ILE  44          2HG2      ILE  44   8.846   0.362   3.900
  337   3HG2  ILE  44          3HG2      ILE  44   8.306  -0.355   5.304
  338   1HD1  ILE  44          1HD1      ILE  44  10.987   3.809   5.081
  339   2HD1  ILE  44          2HD1      ILE  44   9.711   5.012   5.333
  340   3HD1  ILE  44          3HD1      ILE  44  10.156   4.008   6.662
  341    H    ALA  45           H        ALA  45   7.898  -0.714   7.816
  342    HA   ALA  45           HA       ALA  45   5.111  -0.476   7.963
  343   1HB   ALA  45          1HB       ALA  45   6.910  -2.210   9.782
  344   2HB   ALA  45          2HB       ALA  45   5.110  -2.262   9.829
  345   3HB   ALA  45          3HB       ALA  45   5.979  -2.665   8.283
  346    HA   PRO  46           HA       PRO  46   4.806   1.633  12.334
  347   1HB   PRO  46          1HB       PRO  46   7.657   2.519  12.816
  348   2HB   PRO  46          2HB       PRO  46   6.339   2.100  14.014
  349   1HG   PRO  46          1HG       PRO  46   8.305   0.416  13.538
  350   2HG   PRO  46          2HG       PRO  46   6.699  -0.178  13.747
  351   1HD   PRO  46          1HD       PRO  46   8.175   0.388  11.083
  352   2HD   PRO  46          2HD       PRO  46   7.332  -1.051  11.495
  353    H    ILE  47           H        ILE  47   7.106   3.144  10.044
  354    HA   ILE  47           HA       ILE  47   6.029   5.861  10.116
  355    HB   ILE  47           HB       ILE  47   7.514   4.677   7.791
  356   1HG1  ILE  47          1HG1      ILE  47   8.746   4.708   9.857
  357   2HG1  ILE  47          2HG1      ILE  47   9.568   5.969   8.680
  358   1HG2  ILE  47          1HG2      ILE  47   6.076   6.573   7.106
  359   2HG2  ILE  47          2HG2      ILE  47   6.864   7.678   8.176
  360   3HG2  ILE  47          3HG2      ILE  47   7.699   6.919   6.848
  361   1HD1  ILE  47          1HD1      ILE  47   9.606   6.954  10.927
  362   2HD1  ILE  47          2HD1      ILE  47   8.430   7.883   9.886
  363   3HD1  ILE  47          3HD1      ILE  47   7.868   6.751  11.115
  364    H    PHE  48           H        PHE  48   5.124   3.215   7.903
  365    HA   PHE  48           HA       PHE  48   2.984   4.501   6.754
  366   1HB   PHE  48          1HB       PHE  48   4.384   2.439   6.070
  367   2HB   PHE  48          2HB       PHE  48   3.500   1.520   7.339
  368    HD1  PHE  48           1HD      PHE  48   2.292  -0.025   6.234
  369    HD2  PHE  48           2HD      PHE  48   2.743   3.676   4.295
  370    HE1  PHE  48           1HE      PHE  48   0.861  -0.852   4.446
  371    HE2  PHE  48           2HE      PHE  48   1.351   2.949   2.334
  372    HZ   PHE  48           HZ       PHE  48   0.459   0.703   2.307
  373    H    ALA  49           H        ALA  49   2.977   2.949   9.924
  374    HA   ALA  49           HA       ALA  49   0.120   3.140  10.557
  375   1HB   ALA  49          1HB       ALA  49   1.251   1.235  11.505
  376   2HB   ALA  49          2HB       ALA  49   2.644   2.324  12.104
  377   3HB   ALA  49          3HB       ALA  49   0.907   2.317  12.829
  378    H    GLU  50           H        GLU  50   3.006   5.119  11.534
  379    HA   GLU  50           HA       GLU  50   1.397   7.089  13.101
  380   1HB   GLU  50          1HB       GLU  50   3.870   6.787  13.487
  381   2HB   GLU  50          2HB       GLU  50   4.188   7.109  11.801
  382   1HG   GLU  50          1HG       GLU  50   3.211   9.488  12.155
  383   2HG   GLU  50          2HG       GLU  50   3.001   9.024  13.837
  384    HE2  GLU  50           HE       GLU  50   6.851   9.147  12.438
  385    H    LEU  51           H        LEU  51   2.595   7.093   9.829
  386    HA   LEU  51           HA       LEU  51   1.129   9.445   8.834
  387   1HB   LEU  51          1HB       LEU  51   2.960   8.292   7.774
  388   2HB   LEU  51          2HB       LEU  51   2.075   6.927   7.321
  389    HG   LEU  51           HG       LEU  51   2.599   8.655   5.572
  390   1HD1  LEU  51          1HD1      LEU  51   0.664   8.015   4.030
  391   2HD1  LEU  51          2HD1      LEU  51   0.864   6.791   5.273
  392   3HD1  LEU  51          3HD1      LEU  51  -0.506   7.947   5.337
  393   1HD2  LEU  51          1HD2      LEU  51   1.982  10.668   6.702
  394   2HD2  LEU  51          2HD2      LEU  51   0.993  10.773   5.256
  395   3HD2  LEU  51          3HD2      LEU  51   0.219  10.174   6.841
  396    H    ALA  52           H        ALA  52  -0.015   6.128   8.874
  397    HA   ALA  52           HA       ALA  52  -2.642   6.451   7.912
  398   1HB   ALA  52          1HB       ALA  52  -1.554   4.186   8.356
  399   2HB   ALA  52          2HB       ALA  52  -2.034   4.333  10.108
  400   3HB   ALA  52          3HB       ALA  52  -3.151   4.280   8.736
  401    H    LYS  53           H        LYS  53  -1.666   7.107  11.106
  402    HA   LYS  53           HA       LYS  53  -4.290   7.676  12.371
  403   1HB   LYS  53          1HB       LYS  53  -1.381   8.304  13.357
  404   2HB   LYS  53          2HB       LYS  53  -2.830   8.746  14.201
  405   1HG   LYS  53          1HG       LYS  53  -3.591   6.248  14.205
  406   2HG   LYS  53          2HG       LYS  53  -1.889   6.002  13.545
  407   1HD   LYS  53          1HD       LYS  53  -0.714   6.525  15.454
  408   2HD   LYS  53          2HD       LYS  53  -2.227   7.195  16.253
  409   1HE   LYS  53          1HE       LYS  53  -3.128   4.866  16.102
  410   2HE   LYS  53          2HE       LYS  53  -1.632   4.220  15.390
  411   1HZ   LYS  53          1HZ       LYS  53  -1.846   5.486  18.117
  412   2HZ   LYS  53          2HZ       LYS  53  -1.622   3.884  17.787
  413    H    LYS  54           H        LYS  54  -1.840   9.371  10.497
  414    HA   LYS  54           HA       LYS  54  -2.760  12.080  10.984
  415   1HB   LYS  54          1HB       LYS  54  -0.426  11.191  10.346
  416   2HB   LYS  54          2HB       LYS  54  -0.825  11.184   8.758
  417   1HG   LYS  54          1HG       LYS  54  -1.521  13.632   9.047
  418   2HG   LYS  54          2HG       LYS  54  -0.764  13.585  10.712
  419   1HD   LYS  54          1HD       LYS  54   0.625  13.036   8.027
  420   2HD   LYS  54          2HD       LYS  54   0.748  14.581   8.815
  421   1HE   LYS  54          1HE       LYS  54   1.983  13.534  10.739
  422   2HE   LYS  54          2HE       LYS  54   1.707  11.933  10.242
  423   1HZ   LYS  54          1HZ       LYS  54   3.883  12.563   9.602
  424   2HZ   LYS  54          2HZ       LYS  54   2.956  12.167   8.351
  425    H    PHE  55           H        PHE  55  -3.571   9.577   8.747
  426    HA   PHE  55           HA       PHE  55  -4.974  11.294   6.774
  427   1HB   PHE  55          1HB       PHE  55  -2.674   9.489   6.585
  428   2HB   PHE  55          2HB       PHE  55  -3.676   9.192   5.332
  429    HD1  PHE  55           1HD      PHE  55  -1.327  11.568   6.795
  430    HD2  PHE  55           2HD      PHE  55  -4.487  11.368   3.909
  431    HE1  PHE  55           1HE      PHE  55  -0.504  13.649   5.740
  432    HE2  PHE  55           2HE      PHE  55  -3.754  13.473   2.996
  433    HZ   PHE  55           HZ       PHE  55  -1.855  14.649   3.879
  434    HA   PRO  56           HA       PRO  56  -8.201   8.064   8.015
  435   1HB   PRO  56          1HB       PRO  56 -10.377   9.652   8.040
  436   2HB   PRO  56          2HB       PRO  56  -9.266   9.466   9.402
  437   1HG   PRO  56          1HG       PRO  56  -9.398  11.659   7.376
  438   2HG   PRO  56          2HG       PRO  56  -9.052  11.852   9.061
  439   1HD   PRO  56          1HD       PRO  56  -7.290  11.700   6.893
  440   2HD   PRO  56          2HD       PRO  56  -6.672  11.577   8.595
  441    H    ASN  57           H        ASN  57  -7.976   9.505   5.024
  442    HA   ASN  57           HA       ASN  57 -10.560   8.762   3.858
  443   1HB   ASN  57          1HB       ASN  57  -9.940  10.146   2.004
  444   2HB   ASN  57          2HB       ASN  57 -10.027  11.083   3.417
  445   1HD2  ASN  57          2HD2      ASN  57  -8.453  12.371   4.005
  446   2HD2  ASN  57          1HD2      ASN  57  -6.863  12.520   3.101
  447    H    VAL  58           H        VAL  58  -7.767   7.463   4.489
  448    HA   VAL  58           HA       VAL  58  -7.390   5.817   1.902
  449    HB   VAL  58           HB       VAL  58  -6.153   7.935   1.844
  450   1HG1  VAL  58          1HG1      VAL  58  -4.668   7.148   4.428
  451   2HG1  VAL  58          2HG1      VAL  58  -4.354   8.545   3.501
  452   3HG1  VAL  58          3HG1      VAL  58  -5.893   8.598   4.226
  453   1HG2  VAL  58          1HG2      VAL  58  -5.044   5.653   1.208
  454   2HG2  VAL  58          2HG2      VAL  58  -3.956   7.170   1.500
  455   3HG2  VAL  58          3HG2      VAL  58  -4.210   5.735   2.697
  456    H    THR  59           H        THR  59  -7.893   3.753   2.382
  457    HA   THR  59           HA       THR  59  -6.784   2.468   4.812
  458    HB   THR  59           HB       THR  59  -7.892   1.260   2.063
  459    HG1  THR  59           1HG      THR  59  -9.200   1.035   4.632
  460   1HG2  THR  59          1HG2      THR  59  -7.385  -0.588   4.503
  461   2HG2  THR  59          2HG2      THR  59  -8.347  -0.948   3.022
  462   3HG2  THR  59          3HG2      THR  59  -6.607  -0.561   2.876
  463    H    PHE  60           H        PHE  60  -5.422   0.823   4.884
  464    HA   PHE  60           HA       PHE  60  -3.021   0.904   3.203
  465   1HB   PHE  60          1HB       PHE  60  -3.001   1.221   6.223
  466   2HB   PHE  60          2HB       PHE  60  -1.556   1.051   5.267
  467    HD1  PHE  60           1HD      PHE  60  -1.123   2.752   3.432
  468    HD2  PHE  60           2HD      PHE  60  -3.854   3.637   6.562
  469    HE1  PHE  60           1HE      PHE  60  -0.826   5.163   2.973
  470    HE2  PHE  60           2HE      PHE  60  -3.495   6.110   6.029
  471    HZ   PHE  60           HZ       PHE  60  -2.179   6.771   4.273
  472    H    LEU  61           H        LEU  61  -2.137  -1.033   2.724
  473    HA   LEU  61           HA       LEU  61  -2.343  -3.313   4.528
  474   1HB   LEU  61          1HB       LEU  61  -3.810  -4.604   3.372
  475   2HB   LEU  61          2HB       LEU  61  -4.527  -3.034   3.240
  476    HG   LEU  61           HG       LEU  61  -3.090  -2.941   0.945
  477   1HD1  LEU  61          1HD1      LEU  61  -3.961  -6.030   1.268
  478   2HD1  LEU  61          2HD1      LEU  61  -3.272  -5.242  -0.158
  479   3HD1  LEU  61          3HD1      LEU  61  -2.297  -5.432   1.368
  480   1HD2  LEU  61          1HD2      LEU  61  -5.515  -2.580   1.064
  481   2HD2  LEU  61          2HD2      LEU  61  -5.029  -3.681  -0.344
  482   3HD2  LEU  61          3HD2      LEU  61  -5.867  -4.335   1.148
  483    H    LYS  62           H        LYS  62  -1.249  -5.240   3.489
  484    HA   LYS  62           HA       LYS  62   1.273  -4.312   2.117
  485   1HB   LYS  62          1HB       LYS  62   2.851  -4.307   3.902
  486   2HB   LYS  62          2HB       LYS  62   1.509  -3.244   4.256
  487   1HG   LYS  62          1HG       LYS  62   0.557  -4.700   5.951
  488   2HG   LYS  62          2HG       LYS  62   1.606  -5.957   5.726
  489   1HD   LYS  62          1HD       LYS  62   2.611  -3.262   6.686
  490   2HD   LYS  62          2HD       LYS  62   2.326  -4.649   7.652
  491   1HE   LYS  62          1HE       LYS  62   4.482  -4.617   5.467
  492   2HE   LYS  62          2HE       LYS  62   4.708  -4.345   7.190
  493   1HZ   LYS  62          1HZ       LYS  62   3.547  -6.832   6.293
  494   2HZ   LYS  62          2HZ       LYS  62   4.129  -6.526   7.756
  495    H    VAL  63           H        VAL  63   1.692  -5.962   0.981
  496    HA   VAL  63           HA       VAL  63   1.136  -8.783   1.540
  497    HB   VAL  63           HB       VAL  63   1.589  -7.288  -1.126
  498   1HG1  VAL  63          1HG1      VAL  63   0.914 -10.225  -0.764
  499   2HG1  VAL  63          2HG1      VAL  63   0.744  -9.332  -2.279
  500   3HG1  VAL  63          3HG1      VAL  63   2.322  -9.507  -1.485
  501   1HG2  VAL  63          1HG2      VAL  63  -0.921  -8.580   0.036
  502   2HG2  VAL  63          2HG2      VAL  63  -0.639  -6.795   0.129
  503   3HG2  VAL  63          3HG2      VAL  63  -0.912  -7.599  -1.497
  504    H    ASP  64           H        ASP  64   2.462 -10.076   2.287
  505    HA   ASP  64           HA       ASP  64   5.345 -10.013   1.761
  506   1HB   ASP  64          1HB       ASP  64   3.707 -11.550   3.367
  507   2HB   ASP  64          2HB       ASP  64   3.943 -12.742   2.211
  508    HD2  ASP  64           HD       ASP  64   6.764 -12.704   4.797
  509    H    VAL  65           H        VAL  65   6.205  -9.823  -0.117
  510    HA   VAL  65           HA       VAL  65   5.058 -10.446  -2.642
  511    HB   VAL  65           HB       VAL  65   6.721  -8.750  -2.006
  512   1HG1  VAL  65          1HG1      VAL  65   8.530 -10.392  -1.185
  513   2HG1  VAL  65          2HG1      VAL  65   8.873 -10.846  -2.816
  514   3HG1  VAL  65          3HG1      VAL  65   9.102  -9.124  -2.174
  515   1HG2  VAL  65          1HG2      VAL  65   7.194  -8.391  -4.278
  516   2HG2  VAL  65          2HG2      VAL  65   7.439  -9.909  -4.842
  517   3HG2  VAL  65          3HG2      VAL  65   5.847  -9.505  -4.371
  518    H    ASP  66           H        ASP  66   7.571 -12.285  -0.915
  519    HA   ASP  66           HA       ASP  66   7.800 -14.493  -2.643
  520   1HB   ASP  66          1HB       ASP  66   7.916 -14.956   0.331
  521   2HB   ASP  66          2HB       ASP  66   8.480 -16.057  -0.752
  522    HD2  ASP  66           HD       ASP  66  11.432 -14.777  -1.455
  523    H    GLU  67           H        GLU  67   5.204 -14.247  -0.300
  524    HA   GLU  67           HA       GLU  67   3.619 -16.518  -1.276
  525   1HB   GLU  67          1HB       GLU  67   2.535 -14.130   0.228
  526   2HB   GLU  67          2HB       GLU  67   1.612 -15.561  -0.053
  527   1HG   GLU  67          1HG       GLU  67   3.391 -16.928   1.156
  528   2HG   GLU  67          2HG       GLU  67   4.278 -15.461   1.589
  529    HE2  GLU  67           HE       GLU  67   1.505 -16.869   3.935
  530    H    LEU  68           H        LEU  68   3.509 -13.142  -2.721
  531    HA   LEU  68           HA       LEU  68   1.612 -14.136  -4.777
  532   1HB   LEU  68          1HB       LEU  68   1.163 -11.742  -2.749
  533   2HB   LEU  68          2HB       LEU  68   0.214 -12.049  -4.157
  534    HG   LEU  68           HG       LEU  68   0.084 -13.936  -1.763
  535   1HD1  LEU  68          1HD1      LEU  68  -1.837 -12.775  -1.053
  536   2HD1  LEU  68          2HD1      LEU  68  -0.816 -11.475  -1.370
  537   3HD1  LEU  68          3HD1      LEU  68  -2.050 -11.710  -2.448
  538   1HD2  LEU  68          1HD2      LEU  68  -1.813 -13.505  -4.061
  539   2HD2  LEU  68          2HD2      LEU  68  -0.631 -14.824  -4.059
  540   3HD2  LEU  68          3HD2      LEU  68  -1.934 -14.860  -2.878
  541    H    LYS  69           H        LYS  69   3.551 -13.955  -5.738
  542    HA   LYS  69           HA       LYS  69   4.601 -11.285  -6.579
  543   1HB   LYS  69          1HB       LYS  69   6.302 -12.456  -7.736
  544   2HB   LYS  69          2HB       LYS  69   6.291 -12.773  -5.960
  545   1HG   LYS  69          1HG       LYS  69   5.371 -15.061  -6.224
  546   2HG   LYS  69          2HG       LYS  69   5.225 -14.797  -7.934
  547   1HD   LYS  69          1HD       LYS  69   7.293 -15.941  -7.987
  548   2HD   LYS  69          2HD       LYS  69   7.757 -14.265  -8.207
  549   1HE   LYS  69          1HE       LYS  69   8.032 -14.096  -5.619
  550   2HE   LYS  69          2HE       LYS  69   7.868 -15.865  -5.586
  551   1HZ   LYS  69          1HZ       LYS  69   9.780 -14.870  -7.496
  552   2HZ   LYS  69          2HZ       LYS  69  10.301 -14.529  -6.074
  553    H    ALA  70           H        ALA  70   2.735 -14.017  -7.937
  554    HA   ALA  70           HA       ALA  70   2.772 -13.134 -10.649
  555   1HB   ALA  70          1HB       ALA  70   0.588 -14.248 -11.143
  556   2HB   ALA  70          2HB       ALA  70   1.840 -15.271 -10.265
  557   3HB   ALA  70          3HB       ALA  70   0.537 -14.657  -9.335
  558    H    VAL  71           H        VAL  71   0.197 -12.251  -8.389
  559    HA   VAL  71           HA       VAL  71  -0.728  -9.965  -9.867
  560    HB   VAL  71           HB       VAL  71  -2.016 -11.216  -8.151
  561   1HG1  VAL  71          1HG1      VAL  71  -1.911 -10.690  -5.834
  562   2HG1  VAL  71          2HG1      VAL  71  -0.211 -11.303  -6.351
  563   3HG1  VAL  71          3HG1      VAL  71  -0.537  -9.536  -5.845
  564   1HG2  VAL  71          1HG2      VAL  71  -3.109  -9.102  -7.091
  565   2HG2  VAL  71          2HG2      VAL  71  -1.772  -8.145  -7.832
  566   3HG2  VAL  71          3HG2      VAL  71  -2.763  -8.927  -8.971
  567    H    ALA  72           H        ALA  72   1.897  -9.862  -7.076
  568    HA   ALA  72           HA       ALA  72   2.114  -7.107  -6.814
  569   1HB   ALA  72          1HB       ALA  72   4.617  -9.027  -6.835
  570   2HB   ALA  72          2HB       ALA  72   4.583  -7.463  -6.039
  571   3HB   ALA  72          3HB       ALA  72   3.559  -8.886  -5.324
  572    H    GLU  73           H        GLU  73   3.552  -9.216  -8.948
  573    HA   GLU  73           HA       GLU  73   5.417  -7.480 -10.478
  574   1HB   GLU  73          1HB       GLU  73   4.139 -10.199 -11.346
  575   2HB   GLU  73          2HB       GLU  73   5.248  -9.195 -12.358
  576   1HG   GLU  73          1HG       GLU  73   7.079  -9.526 -11.210
  577   2HG   GLU  73          2HG       GLU  73   6.255  -9.749  -9.678
  578    HE2  GLU  73           HE       GLU  73   7.957 -11.181  -9.615
  579    H    GLU  74           H        GLU  74   2.004  -8.678 -10.996
  580    HA   GLU  74           HA       GLU  74   1.738  -7.413 -13.579
  581   1HB   GLU  74          1HB       GLU  74  -0.270  -8.158 -13.851
  582   2HB   GLU  74          2HB       GLU  74   0.294  -9.304 -12.757
  583   1HG   GLU  74          1HG       GLU  74  -1.894  -8.936 -11.842
  584   2HG   GLU  74          2HG       GLU  74  -1.233  -7.473 -11.076
  585    HE2  GLU  74           HE       GLU  74  -3.654  -7.773 -11.506
  586    H    TRP  75           H        TRP  75   0.669  -5.990 -10.256
  587    HA   TRP  75           HA       TRP  75  -0.337  -3.592 -11.159
  588   1HB   TRP  75          1HB       TRP  75   1.268  -4.027  -8.590
  589   2HB   TRP  75          2HB       TRP  75   0.357  -2.614  -8.923
  590    HD1  TRP  75           HD       TRP  75   0.123  -5.300  -6.850
  591    HE1  TRP  75           1HE      TRP  75  -2.076  -6.654  -6.490
  592    HE3  TRP  75           3HE      TRP  75  -2.469  -3.468 -10.885
  593    HZ2  TRP  75           2HZ      TRP  75  -4.511  -6.815  -7.685
  594    HZ3  TRP  75           3HZ      TRP  75  -4.765  -4.024 -11.090
  595    HH2  TRP  75           HH       TRP  75  -5.811  -5.737  -9.677
  596    H    ASN  76           H        ASN  76   2.809  -4.533 -10.485
  597    HA   ASN  76           HA       ASN  76   4.344  -4.029 -12.311
  598   1HB   ASN  76          1HB       ASN  76   3.705  -1.440 -12.814
  599   2HB   ASN  76          2HB       ASN  76   4.527  -1.148 -11.312
  600   1HD2  ASN  76          1HD2      ASN  76   5.120  -2.856 -14.095
  601   2HD2  ASN  76          2HD2      ASN  76   6.878  -2.355 -14.215
  602    H    VAL  77           H        VAL  77   5.366  -5.389 -10.424
  603    HA   VAL  77           HA       VAL  77   7.529  -3.873  -8.834
  604    HB   VAL  77           HB       VAL  77   5.721  -6.317  -7.872
  605   1HG1  VAL  77          1HG1      VAL  77   6.850  -5.712  -5.535
  606   2HG1  VAL  77          2HG1      VAL  77   8.058  -6.034  -6.816
  607   3HG1  VAL  77          3HG1      VAL  77   7.666  -4.312  -6.454
  608   1HG2  VAL  77          1HG2      VAL  77   5.379  -3.472  -6.755
  609   2HG2  VAL  77          2HG2      VAL  77   4.408  -4.323  -7.966
  610   3HG2  VAL  77          3HG2      VAL  77   4.444  -5.110  -6.406
  611    H    GLU  78           H        GLU  78   8.598  -4.351 -10.749
  612    HA   GLU  78           HA       GLU  78   9.995  -6.858 -10.791
  613   1HB   GLU  78          1HB       GLU  78  11.499  -6.183 -12.576
  614   2HB   GLU  78          2HB       GLU  78   9.969  -5.698 -13.103
  615   1HG   GLU  78          1HG       GLU  78  11.726  -3.690 -11.372
  616   2HG   GLU  78          2HG       GLU  78  12.082  -4.004 -12.999
  617    HE2  GLU  78           HE       GLU  78  11.011  -2.760 -14.273
  618    H    ALA  79           H        ALA  79   9.966  -4.984  -8.324
  619    HA   ALA  79           HA       ALA  79  12.714  -5.312  -7.343
  620   1HB   ALA  79          1HB       ALA  79  12.366  -2.644  -8.678
  621   2HB   ALA  79          2HB       ALA  79  12.701  -2.428  -7.117
  622   3HB   ALA  79          3HB       ALA  79  13.781  -3.608  -8.147
  623    H    MET  80           H        MET  80  12.878  -4.724  -5.370
  624    HA   MET  80           HA       MET  80  10.865  -4.589  -3.106
  625   1HB   MET  80          1HB       MET  80  13.543  -5.607  -3.023
  626   2HB   MET  80          2HB       MET  80  12.611  -5.005  -1.577
  627   1HG   MET  80          1HG       MET  80  12.031  -7.156  -3.511
  628   2HG   MET  80          2HG       MET  80  12.494  -7.178  -1.758
  629   1HE   MET  80          1HE       MET  80   9.442  -7.614  -3.975
  630   2HE   MET  80          2HE       MET  80   8.154  -6.732  -2.960
  631   3HE   MET  80          3HE       MET  80   9.190  -5.723  -4.103
  632    HA   PRO  81           HA       PRO  81   9.688  -2.988  -3.034
  633   1HB   PRO  81          1HB       PRO  81   8.873  -2.188  -0.251
  634   2HB   PRO  81          2HB       PRO  81  10.536  -3.393  -0.574
  635   1HG   PRO  81          1HG       PRO  81  10.361  -0.285  -0.024
  636   2HG   PRO  81          2HG       PRO  81  11.449  -1.381   0.550
  637   1HD   PRO  81          1HD       PRO  81  11.431   0.136  -2.015
  638   2HD   PRO  81          2HD       PRO  81  12.734  -0.847  -1.356
  639    H    THR  82           H        THR  82   8.028  -2.478  -3.263
  640    HA   THR  82           HA       THR  82   7.504   0.102  -4.574
  641    HB   THR  82           HB       THR  82   6.164  -2.437  -5.465
  642    HG1  THR  82           1HG      THR  82   8.289  -2.504  -5.640
  643   1HG2  THR  82          1HG2      THR  82   5.502  -1.046  -7.386
  644   2HG2  THR  82          2HG2      THR  82   5.271   0.172  -5.990
  645   3HG2  THR  82          3HG2      THR  82   6.695   0.235  -6.975
  646    H    PHE  83           H        PHE  83   5.923   1.221  -3.806
  647    HA   PHE  83           HA       PHE  83   3.318   0.607  -2.365
  648   1HB   PHE  83          1HB       PHE  83   4.757   3.393  -2.291
  649   2HB   PHE  83          2HB       PHE  83   3.248   3.076  -1.686
  650    HD1  PHE  83           1HD      PHE  83   6.824   3.520  -1.281
  651    HD2  PHE  83           2HD      PHE  83   3.356   1.720   0.392
  652    HE1  PHE  83           1HE      PHE  83   7.938   3.545   0.760
  653    HE2  PHE  83           2HE      PHE  83   4.666   1.578   2.738
  654    HZ   PHE  83           HZ       PHE  83   6.784   2.691   2.914
  655    H    ILE  84           H        ILE  84   1.765   0.374  -3.612
  656    HA   ILE  84           HA       ILE  84   1.153   2.087  -5.786
  657    HB   ILE  84           HB       ILE  84   1.117  -0.912  -5.056
  658   1HG1  ILE  84          1HG1      ILE  84   1.360   0.056  -7.886
  659   2HG1  ILE  84          2HG1      ILE  84   2.451   0.671  -6.837
  660   1HG2  ILE  84          1HG2      ILE  84  -0.993   0.203  -6.972
  661   2HG2  ILE  84          2HG2      ILE  84  -0.621  -1.390  -6.918
  662   3HG2  ILE  84          3HG2      ILE  84  -1.327  -0.375  -5.413
  663   1HD1  ILE  84          1HD1      ILE  84   3.370  -1.589  -5.967
  664   2HD1  ILE  84          2HD1      ILE  84   1.949  -2.366  -6.699
  665   3HD1  ILE  84          3HD1      ILE  84   3.201  -1.693  -7.827
  666    H    PHE  85           H        PHE  85  -0.614   2.602  -6.397
  667    HA   PHE  85           HA       PHE  85  -2.465   3.823  -4.316
  668   1HB   PHE  85          1HB       PHE  85  -0.755   5.394  -6.298
  669   2HB   PHE  85          2HB       PHE  85  -2.303   5.780  -5.470
  670    HD1  PHE  85           1HD      PHE  85   1.278   4.442  -4.607
  671    HD2  PHE  85           2HD      PHE  85  -2.088   6.981  -3.351
  672    HE1  PHE  85           1HE      PHE  85   2.391   5.224  -2.677
  673    HE2  PHE  85           2HE      PHE  85  -0.753   7.730  -1.388
  674    HZ   PHE  85           HZ       PHE  85   1.523   6.772  -1.127
  675    H    LEU  86           H        LEU  86  -4.178   2.894  -4.627
  676    HA   LEU  86           HA       LEU  86  -5.438   2.879  -7.372
  677   1HB   LEU  86          1HB       LEU  86  -4.324   0.638  -6.542
  678   2HB   LEU  86          2HB       LEU  86  -5.429   0.663  -5.131
  679    HG   LEU  86           HG       LEU  86  -6.225  -0.952  -6.337
  680   1HD1  LEU  86          1HD1      LEU  86  -8.041   0.946  -6.402
  681   2HD1  LEU  86          2HD1      LEU  86  -7.823   0.988  -8.149
  682   3HD1  LEU  86          3HD1      LEU  86  -8.373  -0.556  -7.403
  683   1HD2  LEU  86          1HD2      LEU  86  -5.436   0.568  -8.970
  684   2HD2  LEU  86          2HD2      LEU  86  -4.635  -0.762  -8.368
  685   3HD2  LEU  86          3HD2      LEU  86  -6.218  -1.079  -9.045
  686    H    LYS  87           H        LYS  87  -6.943   3.931  -7.185
  687    HA   LYS  87           HA       LYS  87  -8.528   4.730  -4.734
  688   1HB   LYS  87          1HB       LYS  87  -7.052   6.363  -5.820
  689   2HB   LYS  87          2HB       LYS  87  -8.046   6.371  -7.200
  690   1HG   LYS  87          1HG       LYS  87  -9.658   7.758  -6.144
  691   2HG   LYS  87          2HG       LYS  87  -9.556   6.848  -4.673
  692   1HD   LYS  87          1HD       LYS  87  -7.232   8.366  -4.302
  693   2HD   LYS  87          2HD       LYS  87  -7.649   9.281  -5.711
  694   1HE   LYS  87          1HE       LYS  87  -9.769  10.101  -4.549
  695   2HE   LYS  87          2HE       LYS  87  -9.676   8.923  -3.202
  696   1HZ   LYS  87          1HZ       LYS  87  -7.551  10.129  -2.630
  697   2HZ   LYS  87          2HZ       LYS  87  -7.791  11.265  -3.774
  698    H    ASP  88           H        ASP  88 -10.887   4.960  -5.104
  699    HA   ASP  88           HA       ASP  88 -12.383   3.768  -6.969
  700   1HB   ASP  88          1HB       ASP  88 -14.245   5.379  -6.796
  701   2HB   ASP  88          2HB       ASP  88 -13.328   4.834  -5.425
  702    HD2  ASP  88           HD       ASP  88 -12.295   8.167  -4.603
  703    H    GLY  89           H        GLY  89 -10.338   4.571  -8.612
  704   1HA   GLY  89          1HA       GLY  89 -11.715   4.785 -11.199
  705   2HA   GLY  89          2HA       GLY  89 -10.879   6.252 -10.810
  706    H    LYS  90           H        LYS  90 -10.004   2.908 -10.194
  707    HA   LYS  90           HA       LYS  90  -8.499   1.440 -10.732
  708   1HB   LYS  90          1HB       LYS  90  -9.244   1.601 -13.038
  709   2HB   LYS  90          2HB       LYS  90  -8.075   2.785 -13.417
  710   1HG   LYS  90          1HG       LYS  90  -6.168   1.190 -13.346
  711   2HG   LYS  90          2HG       LYS  90  -7.121   0.013 -12.691
  712   1HD   LYS  90          1HD       LYS  90  -7.398   1.361 -15.386
  713   2HD   LYS  90          2HD       LYS  90  -6.469  -0.124 -15.161
  714   1HE   LYS  90          1HE       LYS  90  -8.774  -1.048 -14.189
  715   2HE   LYS  90          2HE       LYS  90  -9.488   0.353 -14.769
  716   1HZ   LYS  90          1HZ       LYS  90  -8.090  -1.708 -16.493
  717   2HZ   LYS  90          2HZ       LYS  90  -8.877  -0.302 -17.078
  718    H    LEU  91           H        LEU  91  -5.822   1.180 -11.373
  719    HA   LEU  91           HA       LEU  91  -4.116   2.385  -9.607
  720   1HB   LEU  91          1HB       LEU  91  -3.540   0.447 -10.747
  721   2HB   LEU  91          2HB       LEU  91  -3.499   1.164 -12.305
  722    HG   LEU  91           HG       LEU  91  -1.609   2.641 -11.682
  723   1HD1  LEU  91          1HD1      LEU  91  -0.313   1.490  -9.463
  724   2HD1  LEU  91          2HD1      LEU  91  -1.714   2.553  -9.141
  725   3HD1  LEU  91          3HD1      LEU  91  -1.849   0.857  -9.045
  726   1HD2  LEU  91          1HD2      LEU  91  -0.019   0.758 -11.911
  727   2HD2  LEU  91          2HD2      LEU  91  -1.161  -0.597 -11.550
  728   3HD2  LEU  91          3HD2      LEU  91  -1.319   0.522 -12.844
  729    H    VAL  92           H        VAL  92  -4.137   4.313  -9.200
  730    HA   VAL  92           HA       VAL  92  -3.699   6.693 -10.978
  731    HB   VAL  92           HB       VAL  92  -3.877   8.063  -8.977
  732   1HG1  VAL  92          1HG1      VAL  92  -6.279   7.812  -8.576
  733   2HG1  VAL  92          2HG1      VAL  92  -5.941   7.538 -10.337
  734   3HG1  VAL  92          3HG1      VAL  92  -6.340   6.246  -9.202
  735   1HG2  VAL  92          1HG2      VAL  92  -4.343   5.747  -7.249
  736   2HG2  VAL  92          2HG2      VAL  92  -2.912   6.756  -7.222
  737   3HG2  VAL  92          3HG2      VAL  92  -4.442   7.452  -6.824
  738    H    ASP  93           H        ASP  93  -1.777   5.145  -8.731
  739    HA   ASP  93           HA       ASP  93   0.593   6.094 -10.143
  740   1HB   ASP  93          1HB       ASP  93  -0.157   8.039  -8.491
  741   2HB   ASP  93          2HB       ASP  93  -0.023   7.116  -7.192
  742    HD2  ASP  93           HD       ASP  93   1.778   6.901  -6.183
  743    H    LYS  94           H        LYS  94   2.712   5.587  -9.127
  744    HA   LYS  94           HA       LYS  94   3.069   3.195  -7.558
  745   1HB   LYS  94          1HB       LYS  94   4.426   2.019  -9.345
  746   2HB   LYS  94          2HB       LYS  94   2.754   2.072  -9.773
  747   1HG   LYS  94          1HG       LYS  94   4.994   3.836 -10.915
  748   2HG   LYS  94          2HG       LYS  94   4.486   2.340 -11.594
  749   1HD   LYS  94          1HD       LYS  94   2.403   4.745 -11.397
  750   2HD   LYS  94          2HD       LYS  94   3.219   4.266 -12.902
  751   1HE   LYS  94          1HE       LYS  94   1.942   2.049 -12.847
  752   2HE   LYS  94          2HE       LYS  94   1.124   2.797 -11.306
  753   1HZ   LYS  94          1HZ       LYS  94   1.028   4.201 -13.893
  754   2HZ   LYS  94          2HZ       LYS  94  -0.154   3.272 -13.262
  755    H    THR  95           H        THR  95   5.081   3.227  -6.550
  756    HA   THR  95           HA       THR  95   7.468   4.959  -7.124
  757    HB   THR  95           HB       THR  95   5.628   5.771  -4.984
  758    HG1  THR  95           1HG      THR  95   6.088   6.659  -7.411
  759   1HG2  THR  95          1HG2      THR  95   7.792   5.796  -3.745
  760   2HG2  THR  95          2HG2      THR  95   8.481   6.518  -5.290
  761   3HG2  THR  95          3HG2      THR  95   7.529   7.357  -4.130
  762    H    VAL  96           H        VAL  96   9.258   4.130  -5.688
  763    HA   VAL  96           HA       VAL  96   8.682   1.755  -4.190
  764    HB   VAL  96           HB       VAL  96   8.853   0.557  -6.416
  765   1HG1  VAL  96          1HG1      VAL  96   9.368   2.433  -7.930
  766   2HG1  VAL  96          2HG1      VAL  96  10.933   2.226  -7.549
  767   3HG1  VAL  96          3HG1      VAL  96  10.283   0.967  -8.329
  768   1HG2  VAL  96          1HG2      VAL  96  10.754  -0.748  -6.528
  769   2HG2  VAL  96          2HG2      VAL  96  11.689   0.453  -5.564
  770   3HG2  VAL  96          3HG2      VAL  96  10.386  -0.662  -4.937
  771    H    GLY  97           H        GLY  97   9.825   2.281  -2.590
  772   1HA   GLY  97          1HA       GLY  97  12.555   2.614  -2.295
  773   2HA   GLY  97          2HA       GLY  97  12.118   4.266  -2.374
  774    H    ALA  98           H        ALA  98  12.384   2.006  -0.067
  775    HA   ALA  98           HA       ALA  98  10.615   3.120   1.904
  776   1HB   ALA  98          1HB       ALA  98  11.816   0.764   1.892
  777   2HB   ALA  98          2HB       ALA  98  13.409   1.582   1.830
  778   3HB   ALA  98          3HB       ALA  98  12.455   1.737   3.219
  779    H    ASP  99           H        ASP  99  10.642   4.831   2.801
  780    HA   ASP  99           HA       ASP  99  13.059   6.509   3.410
  781   1HB   ASP  99          1HB       ASP  99  12.546   6.897   0.808
  782   2HB   ASP  99          2HB       ASP  99  11.127   7.771   1.397
  783    HD2  ASP  99           HD       ASP  99  12.933  10.716   1.587
  784    H    LYS 100           H        LYS 100  12.422   7.187   5.180
  785    HA   LYS 100           HA       LYS 100   9.908   7.314   6.300
  786   1HB   LYS 100          1HB       LYS 100  10.637   8.592   8.271
  787   2HB   LYS 100          2HB       LYS 100  11.563   7.195   7.887
  788   1HG   LYS 100          1HG       LYS 100  13.233   8.837   6.771
  789   2HG   LYS 100          2HG       LYS 100  12.452  10.154   7.386
  790   1HD   LYS 100          1HD       LYS 100  12.749   8.980   9.918
  791   2HD   LYS 100          2HD       LYS 100  13.674   7.800   8.958
  792   1HE   LYS 100          1HE       LYS 100  15.437   9.083   8.379
  793   2HE   LYS 100          2HE       LYS 100  14.552  10.681   8.659
  794   1HZ   LYS 100          1HZ       LYS 100  15.941  10.392  10.388
  795   2HZ   LYS 100          2HZ       LYS 100  14.490  10.027  11.089
  796    H    ASP 101           H        ASP 101  11.268  10.306   5.549
  797    HA   ASP 101           HA       ASP 101   8.762  12.014   5.550
  798   1HB   ASP 101          1HB       ASP 101   9.896  13.747   4.444
  799   2HB   ASP 101          2HB       ASP 101  10.942  13.069   5.602
  800    HD2  ASP 101           HD       ASP 101  12.189  13.027   1.786
  801    H    GLY 102           H        GLY 102  10.343  10.320   2.829
  802   1HA   GLY 102          1HA       GLY 102   9.004  10.928   0.515
  803   2HA   GLY 102          2HA       GLY 102   9.460   9.243   0.863
  804    H    LEU 103           H        LEU 103   7.763   8.176   2.374
  805    HA   LEU 103           HA       LEU 103   5.142   7.817   1.043
  806   1HB   LEU 103          1HB       LEU 103   6.560   6.099   2.223
  807   2HB   LEU 103          2HB       LEU 103   6.594   7.054   3.653
  808    HG   LEU 103           HG       LEU 103   4.198   6.800   4.046
  809   1HD1  LEU 103          1HD1      LEU 103   2.598   5.325   2.628
  810   2HD1  LEU 103          2HD1      LEU 103   3.415   6.503   1.578
  811   3HD1  LEU 103          3HD1      LEU 103   3.973   4.884   1.656
  812   1HD2  LEU 103          1HD2      LEU 103   4.376   4.634   5.072
  813   2HD2  LEU 103          2HD2      LEU 103   5.304   3.946   3.684
  814   3HD2  LEU 103          3HD2      LEU 103   6.052   5.051   4.691
  815    HA   PRO 104           HA       PRO 104   2.906  10.813   4.283
  816   1HB   PRO 104          1HB       PRO 104   5.173  12.624   5.161
  817   2HB   PRO 104          2HB       PRO 104   3.674  12.085   5.973
  818   1HG   PRO 104          1HG       PRO 104   6.303  11.117   6.323
  819   2HG   PRO 104          2HG       PRO 104   4.795  10.032   6.715
  820   1HD   PRO 104          1HD       PRO 104   6.756   9.860   4.401
  821   2HD   PRO 104          2HD       PRO 104   5.726   8.641   4.937
  822    H    THR 105           H        THR 105   5.460  11.936   2.304
  823    HA   THR 105           HA       THR 105   4.249  14.486   1.348
  824    HB   THR 105           HB       THR 105   6.520  13.162  -0.141
  825    HG1  THR 105           1HG      THR 105   7.882  14.124   1.350
  826   1HG2  THR 105          1HG2      THR 105   7.034  15.661  -0.633
  827   2HG2  THR 105          2HG2      THR 105   5.281  15.464  -0.892
  828   3HG2  THR 105          3HG2      THR 105   5.925  16.112   0.733
  829    H    LEU 106           H        LEU 106   4.987  11.213  -0.258
  830    HA   LEU 106           HA       LEU 106   3.368  11.423  -2.516
  831   1HB   LEU 106          1HB       LEU 106   5.260   9.790  -1.694
  832   2HB   LEU 106          2HB       LEU 106   4.046   8.941  -0.759
  833    HG   LEU 106           HG       LEU 106   2.693   8.519  -2.840
  834   1HD1  LEU 106          1HD1      LEU 106   3.536   8.599  -4.922
  835   2HD1  LEU 106          2HD1      LEU 106   3.992  10.194  -4.545
  836   3HD1  LEU 106          3HD1      LEU 106   5.161   8.919  -4.562
  837   1HD2  LEU 106          1HD2      LEU 106   4.272   6.546  -3.489
  838   2HD2  LEU 106          2HD2      LEU 106   5.522   7.299  -2.754
  839   3HD2  LEU 106          3HD2      LEU 106   4.119   6.694  -1.868
  840    H    VAL 107           H        VAL 107   2.228   9.994   0.360
  841    HA   VAL 107           HA       VAL 107  -0.524   9.757  -0.463
  842    HB   VAL 107           HB       VAL 107   0.778   9.804   2.127
  843   1HG1  VAL 107          1HG1      VAL 107  -1.012  10.913   2.989
  844   2HG1  VAL 107          2HG1      VAL 107  -2.295  10.108   2.092
  845   3HG1  VAL 107          3HG1      VAL 107  -1.573   9.290   3.476
  846   1HG2  VAL 107          1HG2      VAL 107  -0.037   7.251   2.115
  847   2HG2  VAL 107          2HG2      VAL 107  -1.110   7.734   0.849
  848   3HG2  VAL 107          3HG2      VAL 107   0.544   7.791   0.548
  849    H    ALA 108           H        ALA 108   1.041  12.330   1.396
  850    HA   ALA 108           HA       ALA 108  -1.334  14.000   1.541
  851   1HB   ALA 108          1HB       ALA 108   0.276  15.866   2.116
  852   2HB   ALA 108          2HB       ALA 108   1.071  14.475   2.577
  853   3HB   ALA 108          3HB       ALA 108   1.559  15.010   0.972
  854    H    LYS 109           H        LYS 109   0.956  14.072  -1.186
  855    HA   LYS 109           HA       LYS 109  -0.557  15.979  -2.816
  856   1HB   LYS 109          1HB       LYS 109   1.118  13.397  -3.661
  857   2HB   LYS 109          2HB       LYS 109   0.465  14.586  -4.802
  858   1HG   LYS 109          1HG       LYS 109   1.947  16.258  -4.044
  859   2HG   LYS 109          2HG       LYS 109   2.375  15.324  -2.576
  860   1HD   LYS 109          1HD       LYS 109   3.621  13.711  -4.155
  861   2HD   LYS 109          2HD       LYS 109   2.950  14.622  -5.521
  862   1HE   LYS 109          1HE       LYS 109   4.222  16.649  -4.942
  863   2HE   LYS 109          2HE       LYS 109   4.878  15.739  -3.482
  864   1HZ   LYS 109          1HZ       LYS 109   5.303  15.087  -6.417
  865   2HZ   LYS 109          2HZ       LYS 109   6.500  15.451  -5.345
  866    H    HIS 110           H        HIS 110  -0.893  12.340  -2.504
  867    HA   HIS 110           HA       HIS 110  -2.827  12.081  -4.647
  868   1HB   HIS 110          1HB       HIS 110  -1.255  10.121  -2.933
  869   2HB   HIS 110          2HB       HIS 110  -2.841   9.689  -3.737
  870    HD1  HIS 110           1HD      HIS 110  -2.832   9.370  -6.399
  871    HD2  HIS 110           2HD      HIS 110   0.710  11.256  -4.892
  872    HE1  HIS 110           1HE      HIS 110  -1.290  10.118  -8.263
  873    H    ALA 111           H        ALA 111  -3.096  11.629  -1.217
  874    HA   ALA 111           HA       ALA 111  -5.969  11.327  -0.978
  875   1HB   ALA 111          1HB       ALA 111  -5.424  12.196   1.502
  876   2HB   ALA 111          2HB       ALA 111  -4.556  10.708   0.972
  877   3HB   ALA 111          3HB       ALA 111  -3.818  12.285   0.987
  878    H    THR 112           H        THR 112  -3.961  14.504  -0.947
  879    HA   THR 112           HA       THR 112  -6.281  16.361  -0.640
  880    HB   THR 112           HB       THR 112  -3.520  16.680  -1.991
  881    HG1  THR 112           1HG      THR 112  -3.402  16.701   0.359
  882   1HG2  THR 112          1HG2      THR 112  -4.742  18.292  -3.136
  883   2HG2  THR 112          2HG2      THR 112  -5.577  18.920  -1.740
  884   3HG2  THR 112          3HG2      THR 112  -3.829  19.107  -1.927
  885    H    ALA 113           H        ALA 113  -4.771  15.184  -3.762
  886    HA   ALA 113           HA       ALA 113  -6.834  15.943  -5.511
  887   1HB   ALA 113          1HB       ALA 113  -4.492  13.993  -5.857
  888   2HB   ALA 113          2HB       ALA 113  -5.520  14.469  -7.128
  889   3HB   ALA 113          3HB       ALA 113  -4.573  15.712  -6.327
  890    HXT  ALA 113           HO       ALA 113  -9.249  13.717  -4.492
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1 -13.245   9.766  16.646
    2   2H    ALA   1          2H        ALA   1 -13.881   8.466  17.190
    3    HA   ALA   1           HA       ALA   1 -11.010   8.681  16.922
    4   1HB   ALA   1          1HB       ALA   1 -10.997   6.368  17.625
    5   2HB   ALA   1          2HB       ALA   1 -11.568   7.323  18.960
    6   3HB   ALA   1          3HB       ALA   1 -12.751   6.411  18.060
    7    H    GLU   2           H        GLU   2 -10.615   8.702  14.948
    8    HA   GLU   2           HA       GLU   2 -12.022   7.287  12.714
    9   1HB   GLU   2          1HB       GLU   2 -13.298   9.514  13.094
   10   2HB   GLU   2          2HB       GLU   2 -11.867  10.418  12.845
   11   1HG   GLU   2          1HG       GLU   2 -11.743   9.407  10.503
   12   2HG   GLU   2          2HG       GLU   2 -13.298   8.723  10.742
   13    HE2  GLU   2           HE       GLU   2 -14.981  11.615  10.307
   14    H    GLU   3           H        GLU   3 -10.348   6.256  11.827
   15    HA   GLU   3           HA       GLU   3  -7.931   7.758  11.010
   16   1HB   GLU   3          1HB       GLU   3  -6.340   6.461  12.054
   17   2HB   GLU   3          2HB       GLU   3  -7.323   7.330  13.220
   18   1HG   GLU   3          1HG       GLU   3  -8.640   5.257  13.788
   19   2HG   GLU   3          2HG       GLU   3  -7.819   4.367  12.429
   20    HE2  GLU   3           HE       GLU   3  -6.173   4.307  16.037
   21    H    GLY   4           H        GLY   4  -6.275   6.429  10.038
   22   1HA   GLY   4          1HA       GLY   4  -7.055   4.551   7.905
   23   2HA   GLY   4          2HA       GLY   4  -5.365   5.024   8.390
   24    H    GLN   5           H        GLN   5  -5.725   2.378   7.837
   25    HA   GLN   5           HA       GLN   5  -5.226   1.035  10.364
   26   1HB   GLN   5          1HB       GLN   5  -7.055  -0.317  10.347
   27   2HB   GLN   5          2HB       GLN   5  -7.778   1.208   9.914
   28   1HG   GLN   5          1HG       GLN   5  -7.821   0.270   7.448
   29   2HG   GLN   5          2HG       GLN   5  -7.251  -1.207   8.101
   30   1HE2  GLN   5          1HE2      GLN   5  -8.903  -2.569   9.163
   31   2HE2  GLN   5          2HE2      GLN   5 -10.602  -1.958   9.389
   32    H    VAL   6           H        VAL   6  -3.486   0.022   9.821
   33    HA   VAL   6           HA       VAL   6  -2.763  -1.115   7.217
   34    HB   VAL   6           HB       VAL   6  -1.227  -1.418   9.831
   35   1HG1  VAL   6          1HG1      VAL   6   0.777  -1.793   8.248
   36   2HG1  VAL   6          2HG1      VAL   6  -0.404  -2.993   8.025
   37   3HG1  VAL   6          3HG1      VAL   6  -0.354  -1.649   6.902
   38   1HG2  VAL   6          1HG2      VAL   6  -0.805   0.749   7.690
   39   2HG2  VAL   6          2HG2      VAL   6  -1.315   1.035   9.423
   40   3HG2  VAL   6          3HG2      VAL   6   0.226   0.358   9.221
   41    H    ILE   7           H        ILE   7  -3.237  -3.196   6.631
   42    HA   ILE   7           HA       ILE   7  -3.791  -5.448   8.461
   43    HB   ILE   7           HB       ILE   7  -5.860  -4.286   7.520
   44   1HG1  ILE   7          1HG1      ILE   7  -6.324  -6.441   8.625
   45   2HG1  ILE   7          2HG1      ILE   7  -7.232  -6.187   7.181
   46   1HG2  ILE   7          1HG2      ILE   7  -5.271  -3.925   5.292
   47   2HG2  ILE   7          2HG2      ILE   7  -5.033  -5.657   4.926
   48   3HG2  ILE   7          3HG2      ILE   7  -6.692  -4.878   5.204
   49   1HD1  ILE   7          1HD1      ILE   7  -5.472  -7.820   5.923
   50   2HD1  ILE   7          2HD1      ILE   7  -4.940  -8.150   7.536
   51   3HD1  ILE   7          3HD1      ILE   7  -6.666  -8.444   7.097
   52    H    ALA   8           H        ALA   8  -2.620  -7.112   8.150
   53    HA   ALA   8           HA       ALA   8  -0.698  -7.768   6.111
   54   1HB   ALA   8          1HB       ALA   8  -0.430  -9.974   7.230
   55   2HB   ALA   8          2HB       ALA   8  -0.140  -8.595   8.287
   56   3HB   ALA   8          3HB       ALA   8  -1.703  -9.489   8.443
   57    H    CYS   9           H        CYS   9  -0.820  -8.794   4.429
   58    HA   CYS   9           HA       CYS   9  -3.180 -10.300   3.386
   59   1HB   CYS   9          1HB       CYS   9  -1.437  -8.108   2.106
   60   2HB   CYS   9          2HB       CYS   9  -2.582  -9.099   1.190
   61    HG   CYS   9           HG       CYS   9  -4.518  -8.467   3.111
   62    H    HIS  10           H        HIS  10  -2.886 -11.916   2.118
   63    HA   HIS  10           HA       HIS  10  -0.157 -13.213   1.907
   64   1HB   HIS  10          1HB       HIS  10  -2.460 -14.084   3.826
   65   2HB   HIS  10          2HB       HIS  10  -1.291 -15.304   3.402
   66    HD1  HIS  10           1HD      HIS  10   1.451 -13.900   3.743
   67    HD2  HIS  10           2HD      HIS  10  -1.914 -13.167   6.226
   68    HE1  HIS  10           1HE      HIS  10   2.139 -12.717   5.930
   69    H    THR  11           H        THR  11  -3.226 -13.220   0.580
   70    HA   THR  11           HA       THR  11  -2.961 -15.819  -1.012
   71    HB   THR  11           HB       THR  11  -5.093 -16.697  -0.301
   72    HG1  THR  11           1HG      THR  11  -6.237 -15.899   1.213
   73   1HG2  THR  11          1HG2      THR  11  -3.201 -17.762   1.061
   74   2HG2  THR  11          2HG2      THR  11  -3.221 -16.412   2.288
   75   3HG2  THR  11          3HG2      THR  11  -4.551 -17.509   2.279
   76    H    VAL  12           H        VAL  12  -5.575 -16.081  -1.714
   77    HA   VAL  12           HA       VAL  12  -6.056 -13.840  -3.531
   78    HB   VAL  12           HB       VAL  12  -6.768 -16.230  -4.182
   79   1HG1  VAL  12          1HG1      VAL  12  -9.053 -15.976  -2.360
   80   2HG1  VAL  12          2HG1      VAL  12  -8.761 -17.292  -3.387
   81   3HG1  VAL  12          3HG1      VAL  12  -7.733 -17.044  -2.005
   82   1HG2  VAL  12          1HG2      VAL  12  -7.778 -14.251  -5.366
   83   2HG2  VAL  12          2HG2      VAL  12  -8.878 -15.641  -5.376
   84   3HG2  VAL  12          3HG2      VAL  12  -9.126 -14.324  -4.296
   85    H    ASP  13           H        ASP  13  -6.659 -14.349  -0.357
   86    HA   ASP  13           HA       ASP  13  -9.163 -12.758  -0.033
   87   1HB   ASP  13          1HB       ASP  13  -6.882 -13.478   1.861
   88   2HB   ASP  13          2HB       ASP  13  -8.308 -12.411   2.306
   89    HD2  ASP  13           HD       ASP  13  -9.772 -13.266   3.182
   90    H    THR  14           H        THR  14  -5.822 -11.695  -0.086
   91    HA   THR  14           HA       THR  14  -6.574  -8.822  -0.018
   92    HB   THR  14           HB       THR  14  -4.254  -9.726   0.288
   93    HG1  THR  14           1HG      THR  14  -3.645  -7.604   0.017
   94   1HG2  THR  14          1HG2      THR  14  -3.925 -10.816  -1.779
   95   2HG2  THR  14          2HG2      THR  14  -4.019  -9.271  -2.640
   96   3HG2  THR  14          3HG2      THR  14  -2.695  -9.501  -1.548
   97    H    TRP  15           H        TRP  15  -6.584 -10.989  -2.734
   98    HA   TRP  15           HA       TRP  15  -7.001  -9.103  -4.983
   99   1HB   TRP  15          1HB       TRP  15  -7.398 -12.096  -4.611
  100   2HB   TRP  15          2HB       TRP  15  -8.486 -11.471  -5.729
  101    HD1  TRP  15           HD       TRP  15  -4.785 -12.378  -5.349
  102    HE1  TRP  15           1HE      TRP  15  -3.490 -11.910  -7.645
  103    HE3  TRP  15           3HE      TRP  15  -8.594 -10.036  -7.668
  104    HZ2  TRP  15           2HZ      TRP  15  -4.329 -11.102 -10.238
  105    HZ3  TRP  15           3HZ      TRP  15  -8.309  -9.151 -10.022
  106    HH2  TRP  15           HH       TRP  15  -6.205 -10.047 -11.350
  107    H    LYS  16           H        LYS  16  -9.331 -10.760  -2.766
  108    HA   LYS  16           HA       LYS  16 -11.684  -9.168  -3.551
  109   1HB   LYS  16          1HB       LYS  16 -11.002 -10.674  -1.075
  110   2HB   LYS  16          2HB       LYS  16 -12.363  -9.631  -0.989
  111   1HG   LYS  16          1HG       LYS  16 -13.149 -10.959  -3.028
  112   2HG   LYS  16          2HG       LYS  16 -11.874 -11.997  -2.978
  113   1HD   LYS  16          1HD       LYS  16 -13.757 -11.847  -0.588
  114   2HD   LYS  16          2HD       LYS  16 -13.823 -13.099  -1.929
  115   1HE   LYS  16          1HE       LYS  16 -11.663 -13.899  -1.302
  116   2HE   LYS  16          2HE       LYS  16 -11.335 -12.595  -0.144
  117   1HZ   LYS  16          1HZ       LYS  16 -13.160 -13.298   1.172
  118   2HZ   LYS  16          2HZ       LYS  16 -13.703 -14.357   0.027
  119    H    GLU  17           H        GLU  17  -9.256  -8.510  -0.921
  120    HA   GLU  17           HA       GLU  17 -10.474  -6.176   0.185
  121   1HB   GLU  17          1HB       GLU  17  -7.674  -7.208   0.479
  122   2HB   GLU  17          2HB       GLU  17  -8.189  -5.822   1.309
  123   1HG   GLU  17          1HG       GLU  17  -9.722  -6.992   2.698
  124   2HG   GLU  17          2HG       GLU  17  -9.786  -8.402   1.559
  125    HE2  GLU  17           HE       GLU  17  -6.827  -7.860   4.291
  126    H    HIS  18           H        HIS  18  -7.641  -6.321  -1.917
  127    HA   HIS  18           HA       HIS  18  -7.183  -3.501  -2.254
  128   1HB   HIS  18          1HB       HIS  18  -5.498  -5.198  -2.423
  129   2HB   HIS  18          2HB       HIS  18  -6.363  -6.043  -3.745
  130    HD1  HIS  18           1HD      HIS  18  -5.825  -5.010  -6.343
  131    HD2  HIS  18           2HD      HIS  18  -4.103  -2.981  -3.100
  132    HE1  HIS  18           1HE      HIS  18  -4.187  -3.155  -7.147
  133    H    PHE  19           H        PHE  19  -8.740  -5.785  -4.291
  134    HA   PHE  19           HA       PHE  19  -9.484  -3.888  -6.403
  135   1HB   PHE  19          1HB       PHE  19  -9.553  -6.620  -6.582
  136   2HB   PHE  19          2HB       PHE  19 -11.141  -6.533  -5.999
  137    HD1  PHE  19           1HD      PHE  19 -13.029  -5.951  -7.340
  138    HD2  PHE  19           2HD      PHE  19  -9.043  -5.416  -8.865
  139    HE1  PHE  19           1HE      PHE  19 -13.929  -5.856  -9.596
  140    HE2  PHE  19           2HE      PHE  19  -9.900  -5.539 -11.182
  141    HZ   PHE  19           HZ       PHE  19 -12.326  -5.750 -11.593
  142    H    GLU  20           H        GLU  20 -11.694  -5.398  -3.872
  143    HA   GLU  20           HA       GLU  20 -14.132  -4.015  -4.679
  144   1HB   GLU  20          1HB       GLU  20 -13.372  -5.633  -2.246
  145   2HB   GLU  20          2HB       GLU  20 -14.914  -4.872  -2.287
  146   1HG   GLU  20          1HG       GLU  20 -14.064  -6.851  -4.521
  147   2HG   GLU  20          2HG       GLU  20 -14.771  -7.395  -3.109
  148    HE2  GLU  20           HE       GLU  20 -17.939  -6.101  -3.944
  149    H    LYS  21           H        LYS  21 -11.993  -3.314  -1.830
  150    HA   LYS  21           HA       LYS  21 -13.378  -0.775  -1.074
  151   1HB   LYS  21          1HB       LYS  21 -10.566  -1.696  -0.340
  152   2HB   LYS  21          2HB       LYS  21 -11.178  -0.233   0.124
  153   1HG   LYS  21          1HG       LYS  21 -12.328  -3.073   0.677
  154   2HG   LYS  21          2HG       LYS  21 -11.362  -2.155   1.783
  155   1HD   LYS  21          1HD       LYS  21 -13.122  -0.484   2.276
  156   2HD   LYS  21          2HD       LYS  21 -14.199  -1.070   1.026
  157   1HE   LYS  21          1HE       LYS  21 -14.866  -1.713   3.255
  158   2HE   LYS  21          2HE       LYS  21 -14.680  -3.177   2.332
  159   1HZ   LYS  21          1HZ       LYS  21 -12.954  -2.068   4.448
  160   2HZ   LYS  21          2HZ       LYS  21 -13.721  -3.584   4.431
  161    H    GLY  22           H        GLY  22 -10.266  -1.203  -2.968
  162   1HA   GLY  22          1HA       GLY  22  -9.894   1.294  -3.764
  163   2HA   GLY  22          2HA       GLY  22  -9.477  -0.052  -4.747
  164    H    LYS  23           H        LYS  23 -11.255  -0.748  -6.182
  165    HA   LYS  23           HA       LYS  23 -13.017   1.382  -7.311
  166   1HB   LYS  23          1HB       LYS  23 -11.691  -0.187  -8.748
  167   2HB   LYS  23          2HB       LYS  23 -12.566  -1.471  -8.060
  168   1HG   LYS  23          1HG       LYS  23 -14.743  -0.215  -8.801
  169   2HG   LYS  23          2HG       LYS  23 -13.658   0.875  -9.760
  170   1HD   LYS  23          1HD       LYS  23 -14.139  -2.120  -9.929
  171   2HD   LYS  23          2HD       LYS  23 -14.542  -1.010 -11.197
  172   1HE   LYS  23          1HE       LYS  23 -11.769  -1.953 -10.530
  173   2HE   LYS  23          2HE       LYS  23 -12.786  -2.502 -11.931
  174   1HZ   LYS  23          1HZ       LYS  23 -11.347  -0.003 -11.562
  175   2HZ   LYS  23          2HZ       LYS  23 -11.957  -0.588 -13.047
  176    H    GLY  24           H        GLY  24 -14.430   1.653  -6.110
  177   1HA   GLY  24          1HA       GLY  24 -16.911   0.563  -6.253
  178   2HA   GLY  24          2HA       GLY  24 -16.281  -0.428  -4.976
  179    H    SER  25           H        SER  25 -15.020   1.236  -3.495
  180    HA   SER  25           HA       SER  25 -17.207   2.761  -2.087
  181   1HB   SER  25          1HB       SER  25 -14.632   1.621  -0.769
  182   2HB   SER  25          2HB       SER  25 -15.841   2.679   0.081
  183    HG   SER  25           HG       SER  25 -16.985   0.566  -1.092
  184    H    GLN  26           H        GLN  26 -16.928   4.933  -2.346
  185    HA   GLN  26           HA       GLN  26 -14.763   6.259  -3.564
  186   1HB   GLN  26          1HB       GLN  26 -17.203   7.006  -1.659
  187   2HB   GLN  26          2HB       GLN  26 -16.171   8.294  -2.318
  188   1HG   GLN  26          1HG       GLN  26 -17.846   8.209  -4.054
  189   2HG   GLN  26          2HG       GLN  26 -16.381   7.616  -4.619
  190   1HE2  GLN  26          1HE2      GLN  26 -16.605   5.869  -6.055
  191   2HE2  GLN  26          2HE2      GLN  26 -17.697   4.512  -5.706
  192    H    LYS  27           H        LYS  27 -13.109   5.277  -2.345
  193    HA   LYS  27           HA       LYS  27 -11.613   7.098  -0.545
  194   1HB   LYS  27          1HB       LYS  27 -11.003   5.301   1.025
  195   2HB   LYS  27          2HB       LYS  27 -12.789   5.573   1.132
  196   1HG   LYS  27          1HG       LYS  27 -12.988   3.405  -0.277
  197   2HG   LYS  27          2HG       LYS  27 -11.398   3.315  -0.554
  198   1HD   LYS  27          1HD       LYS  27 -11.700   1.762   1.138
  199   2HD   LYS  27          2HD       LYS  27 -10.991   3.107   2.063
  200   1HE   LYS  27          1HE       LYS  27 -13.230   3.919   2.870
  201   2HE   LYS  27          2HE       LYS  27 -14.049   2.706   1.976
  202   1HZ   LYS  27          1HZ       LYS  27 -13.006   0.922   3.423
  203   2HZ   LYS  27          2HZ       LYS  27 -12.063   2.062   4.087
  204    H    LEU  28           H        LEU  28  -9.566   6.827  -0.152
  205    HA   LEU  28           HA       LEU  28  -7.880   5.759  -2.467
  206   1HB   LEU  28          1HB       LEU  28  -7.417   8.187  -1.784
  207   2HB   LEU  28          2HB       LEU  28  -7.100   7.683  -0.104
  208    HG   LEU  28           HG       LEU  28  -5.131   6.409  -0.844
  209   1HD1  LEU  28          1HD1      LEU  28  -4.169   6.508  -3.106
  210   2HD1  LEU  28          2HD1      LEU  28  -5.751   5.934  -3.206
  211   3HD1  LEU  28          3HD1      LEU  28  -5.290   7.692  -3.575
  212   1HD2  LEU  28          1HD2      LEU  28  -4.885   9.315  -1.836
  213   2HD2  LEU  28          2HD2      LEU  28  -5.302   9.036  -0.190
  214   3HD2  LEU  28          3HD2      LEU  28  -3.789   8.420  -0.848
  215    H    ILE  29           H        ILE  29  -6.287   4.282  -2.116
  216    HA   ILE  29           HA       ILE  29  -5.908   2.686   0.369
  217    HB   ILE  29           HB       ILE  29  -6.262   0.549  -0.356
  218   1HG1  ILE  29          1HG1      ILE  29  -7.353   1.283  -3.075
  219   2HG1  ILE  29          2HG1      ILE  29  -5.570   1.030  -2.966
  220   1HG2  ILE  29          1HG2      ILE  29  -8.562   0.319  -0.612
  221   2HG2  ILE  29          2HG2      ILE  29  -8.344   1.786   0.313
  222   3HG2  ILE  29          3HG2      ILE  29  -8.776   1.890  -1.369
  223   1HD1  ILE  29          1HD1      ILE  29  -7.771  -1.044  -2.457
  224   2HD1  ILE  29          2HD1      ILE  29  -6.451  -1.258  -3.544
  225   3HD1  ILE  29          3HD1      ILE  29  -6.172  -1.355  -1.732
  226    H    VAL  30           H        VAL  30  -3.930   1.953   0.529
  227    HA   VAL  30           HA       VAL  30  -1.836   2.395  -1.562
  228    HB   VAL  30           HB       VAL  30  -1.690   3.515   1.184
  229   1HG1  VAL  30          1HG1      VAL  30   0.609   3.168   0.314
  230   2HG1  VAL  30          2HG1      VAL  30   0.317   3.952  -1.218
  231   3HG1  VAL  30          3HG1      VAL  30   0.329   4.856   0.369
  232   1HG2  VAL  30          1HG2      VAL  30  -1.928   5.859   0.256
  233   2HG2  VAL  30          2HG2      VAL  30  -2.585   5.170  -1.278
  234   3HG2  VAL  30          3HG2      VAL  30  -3.352   4.928   0.301
  235    H    VAL  31           H        VAL  31  -0.343   0.917  -1.475
  236    HA   VAL  31           HA       VAL  31  -0.426  -1.293   0.495
  237    HB   VAL  31           HB       VAL  31  -1.986  -1.990  -0.819
  238   1HG1  VAL  31          1HG1      VAL  31  -0.345  -1.528  -3.396
  239   2HG1  VAL  31          2HG1      VAL  31  -1.877  -2.497  -3.250
  240   3HG1  VAL  31          3HG1      VAL  31  -1.933  -0.785  -2.903
  241   1HG2  VAL  31          1HG2      VAL  31  -1.202  -4.145  -1.502
  242   2HG2  VAL  31          2HG2      VAL  31   0.395  -3.650  -1.811
  243   3HG2  VAL  31          3HG2      VAL  31  -0.104  -3.714  -0.138
  244    H    ASP  32           H        ASP  32   1.438  -1.335   1.175
  245    HA   ASP  32           HA       ASP  32   3.889  -1.160  -0.438
  246   1HB   ASP  32          1HB       ASP  32   3.573  -0.637   2.251
  247   2HB   ASP  32          2HB       ASP  32   3.382  -2.421   2.490
  248    HD2  ASP  32           HD       ASP  32   6.981  -1.142   1.041
  249    H    PHE  33           H        PHE  33   5.126  -3.001  -1.068
  250    HA   PHE  33           HA       PHE  33   4.250  -5.812  -1.361
  251   1HB   PHE  33          1HB       PHE  33   5.268  -4.030  -3.655
  252   2HB   PHE  33          2HB       PHE  33   5.319  -5.796  -3.665
  253    HD1  PHE  33           1HD      PHE  33   2.840  -7.119  -3.775
  254    HD2  PHE  33           2HD      PHE  33   3.091  -2.731  -3.720
  255    HE1  PHE  33           1HE      PHE  33   0.490  -6.921  -4.361
  256    HE2  PHE  33           2HE      PHE  33   0.835  -2.770  -4.505
  257    HZ   PHE  33           HZ       PHE  33  -0.589  -4.734  -4.296
  258    H    THR  34           H        THR  34   6.115  -6.927  -0.137
  259    HA   THR  34           HA       THR  34   8.783  -5.803  -0.261
  260    HB   THR  34           HB       THR  34   7.927  -4.128   1.518
  261    HG1  THR  34           1HG      THR  34   9.427  -4.350   2.790
  262   1HG2  THR  34          1HG2      THR  34   7.594  -6.471   3.368
  263   2HG2  THR  34          2HG2      THR  34   7.063  -4.832   3.615
  264   3HG2  THR  34          3HG2      THR  34   6.250  -5.864   2.453
  265    H    ALA  35           H        ALA  35  10.065  -7.302   0.388
  266    HA   ALA  35           HA       ALA  35   9.194 -10.090   1.282
  267   1HB   ALA  35          1HB       ALA  35  11.413 -10.624   0.760
  268   2HB   ALA  35          2HB       ALA  35  11.169  -9.112  -0.450
  269   3HB   ALA  35          3HB       ALA  35  11.996  -8.884   1.178
  270    H    SER  36           H        SER  36   9.853 -10.960   3.212
  271    HA   SER  36           HA       SER  36   9.802  -9.391   5.607
  272   1HB   SER  36          1HB       SER  36   8.744 -11.698   5.309
  273   2HB   SER  36          2HB       SER  36  10.370 -12.379   5.240
  274    HG   SER  36           HG       SER  36   9.056 -11.661   7.475
  275    H    TRP  37           H        TRP  37  12.384 -10.924   3.958
  276    HA   TRP  37           HA       TRP  37  14.567  -9.771   5.510
  277   1HB   TRP  37          1HB       TRP  37  15.961 -10.626   3.740
  278   2HB   TRP  37          2HB       TRP  37  15.115 -11.702   4.573
  279    HD1  TRP  37           HD       TRP  37  12.929 -12.855   3.191
  280    HE1  TRP  37           1HE      TRP  37  12.561 -13.543   0.676
  281    HE3  TRP  37           3HE      TRP  37  16.533  -9.817   1.631
  282    HZ2  TRP  37           2HZ      TRP  37  13.576 -12.063  -1.915
  283    HZ3  TRP  37           3HZ      TRP  37  16.840  -9.660  -0.924
  284    HH2  TRP  37           HH       TRP  37  15.292 -10.647  -2.535
  285    H    CYS  38           H        CYS  38  13.307  -7.653   5.305
  286    HA   CYS  38           HA       CYS  38  14.945  -5.757   3.564
  287   1HB   CYS  38          1HB       CYS  38  12.918  -6.172   2.336
  288   2HB   CYS  38          2HB       CYS  38  11.903  -5.626   3.614
  289    HG   CYS  38           HG       CYS  38  12.320  -3.777   1.665
  290    HA   PRO  39           HA       PRO  39  15.081  -4.093   7.875
  291   1HB   PRO  39          1HB       PRO  39  17.720  -3.040   6.787
  292   2HB   PRO  39          2HB       PRO  39  17.219  -3.711   8.474
  293   1HG   PRO  39          1HG       PRO  39  18.585  -5.117   6.630
  294   2HG   PRO  39          2HG       PRO  39  17.429  -5.903   7.627
  295   1HD   PRO  39          1HD       PRO  39  17.005  -4.897   4.741
  296   2HD   PRO  39          2HD       PRO  39  16.445  -6.557   5.427
  297    HA   PRO  40           HA       PRO  40  15.020   0.376   5.646
  298   1HB   PRO  40          1HB       PRO  40  14.305  -0.443   2.815
  299   2HB   PRO  40          2HB       PRO  40  15.090   1.029   3.478
  300   1HG   PRO  40          1HG       PRO  40  16.548  -1.248   2.485
  301   2HG   PRO  40          2HG       PRO  40  17.207  -0.211   3.789
  302   1HD   PRO  40          1HD       PRO  40  15.759  -2.842   3.916
  303   2HD   PRO  40          2HD       PRO  40  17.182  -2.271   4.801
  304    H    CYS  41           H        CYS  41  12.794  -2.020   4.242
  305    HA   CYS  41           HA       CYS  41  10.425  -0.737   5.123
  306   1HB   CYS  41          1HB       CYS  41  10.753  -3.415   3.745
  307   2HB   CYS  41          2HB       CYS  41   9.180  -2.626   4.053
  308    HG   CYS  41           HG       CYS  41   9.701  -2.228   1.451
  309    H    LYS  42           H        LYS  42  12.262  -3.035   6.907
  310    HA   LYS  42           HA       LYS  42  10.237  -3.715   8.854
  311   1HB   LYS  42          1HB       LYS  42  12.337  -4.925   8.761
  312   2HB   LYS  42          2HB       LYS  42  13.227  -3.598   9.421
  313   1HG   LYS  42          1HG       LYS  42  12.324  -3.630  11.500
  314   2HG   LYS  42          2HG       LYS  42  11.010  -4.704  11.057
  315   1HD   LYS  42          1HD       LYS  42  12.521  -6.654  10.616
  316   2HD   LYS  42          2HD       LYS  42  13.847  -5.517  10.958
  317   1HE   LYS  42          1HE       LYS  42  13.890  -6.699  12.818
  318   2HE   LYS  42          2HE       LYS  42  13.142  -5.178  13.391
  319   1HZ   LYS  42          1HZ       LYS  42  11.157  -6.008  13.587
  320   2HZ   LYS  42          2HZ       LYS  42  11.391  -7.428  12.677
  321    H    MET  43           H        MET  43  12.654  -0.900   8.886
  322    HA   MET  43           HA       MET  43  11.009   0.708  10.743
  323   1HB   MET  43          1HB       MET  43  12.391   2.545  10.187
  324   2HB   MET  43          2HB       MET  43  13.185   1.144  10.667
  325   1HG   MET  43          1HG       MET  43  14.023   0.963   8.057
  326   2HG   MET  43          2HG       MET  43  12.847   2.260   7.695
  327   1HE   MET  43          1HE       MET  43  16.009   4.189   7.038
  328   2HE   MET  43          2HE       MET  43  16.415   2.434   6.940
  329   3HE   MET  43          3HE       MET  43  14.846   3.099   6.288
  330    H    ILE  44           H        ILE  44  10.728   0.562   7.324
  331    HA   ILE  44           HA       ILE  44   8.593   2.536   7.230
  332    HB   ILE  44           HB       ILE  44  10.032   1.275   5.153
  333   1HG1  ILE  44          1HG1      ILE  44   8.786   2.822   3.671
  334   2HG1  ILE  44          2HG1      ILE  44   7.740   3.226   5.120
  335   1HG2  ILE  44          1HG2      ILE  44   7.193   0.728   4.479
  336   2HG2  ILE  44          2HG2      ILE  44   8.648   0.237   3.603
  337   3HG2  ILE  44          3HG2      ILE  44   8.279  -0.532   5.111
  338   1HD1  ILE  44          1HD1      ILE  44   9.720   4.212   6.297
  339   2HD1  ILE  44          2HD1      ILE  44  10.784   3.737   5.031
  340   3HD1  ILE  44          3HD1      ILE  44   9.422   4.877   4.636
  341    H    ALA  45           H        ALA  45   8.158  -0.810   7.748
  342    HA   ALA  45           HA       ALA  45   5.255  -0.865   7.857
  343   1HB   ALA  45          1HB       ALA  45   7.290  -2.436   9.534
  344   2HB   ALA  45          2HB       ALA  45   5.529  -2.594   9.731
  345   3HB   ALA  45          3HB       ALA  45   6.323  -2.926   8.174
  346    HA   PRO  46           HA       PRO  46   4.929   1.629  12.090
  347   1HB   PRO  46          1HB       PRO  46   7.772   2.603  12.514
  348   2HB   PRO  46          2HB       PRO  46   6.549   2.189  13.652
  349   1HG   PRO  46          1HG       PRO  46   8.461   0.261  13.165
  350   2HG   PRO  46          2HG       PRO  46   6.692  -0.107  13.501
  351   1HD   PRO  46          1HD       PRO  46   8.234  -0.013  10.740
  352   2HD   PRO  46          2HD       PRO  46   7.075  -1.221  11.365
  353    H    ILE  47           H        ILE  47   7.360   3.256   9.794
  354    HA   ILE  47           HA       ILE  47   5.996   5.717   9.791
  355    HB   ILE  47           HB       ILE  47   7.288   4.532   7.274
  356   1HG1  ILE  47          1HG1      ILE  47   9.000   4.642   9.072
  357   2HG1  ILE  47          2HG1      ILE  47   9.388   5.954   7.992
  358   1HG2  ILE  47          1HG2      ILE  47   5.927   6.693   6.816
  359   2HG2  ILE  47          2HG2      ILE  47   6.912   7.575   7.898
  360   3HG2  ILE  47          3HG2      ILE  47   7.625   6.878   6.452
  361   1HD1  ILE  47          1HD1      ILE  47   9.702   6.798  10.129
  362   2HD1  ILE  47          2HD1      ILE  47   7.964   7.477   9.727
  363   3HD1  ILE  47          3HD1      ILE  47   8.202   6.101  10.775
  364    H    PHE  48           H        PHE  48   5.090   3.086   7.635
  365    HA   PHE  48           HA       PHE  48   2.790   4.215   6.436
  366   1HB   PHE  48          1HB       PHE  48   4.221   2.028   5.953
  367   2HB   PHE  48          2HB       PHE  48   3.392   1.341   7.341
  368    HD1  PHE  48           1HD      PHE  48   1.675  -0.192   6.507
  369    HD2  PHE  48           2HD      PHE  48   2.742   3.221   4.111
  370    HE1  PHE  48           1HE      PHE  48   0.372  -1.131   4.657
  371    HE2  PHE  48           2HE      PHE  48   1.587   2.270   2.230
  372    HZ   PHE  48           HZ       PHE  48   0.271   0.224   2.449
  373    H    ALA  49           H        ALA  49   2.941   2.485   9.552
  374    HA   ALA  49           HA       ALA  49   0.219   2.905  10.450
  375   1HB   ALA  49          1HB       ALA  49   1.367   1.063  11.491
  376   2HB   ALA  49          2HB       ALA  49   2.619   2.076  12.079
  377   3HB   ALA  49          3HB       ALA  49   1.009   2.116  12.732
  378    H    GLU  50           H        GLU  50   3.005   4.868  11.230
  379    HA   GLU  50           HA       GLU  50   1.519   6.714  12.805
  380   1HB   GLU  50          1HB       GLU  50   3.921   6.311  13.071
  381   2HB   GLU  50          2HB       GLU  50   4.196   6.934  11.373
  382   1HG   GLU  50          1HG       GLU  50   3.558   9.161  12.216
  383   2HG   GLU  50          2HG       GLU  50   3.127   8.581  13.775
  384    HE2  GLU  50           HE       GLU  50   6.435   8.494  14.868
  385    H    LEU  51           H        LEU  51   2.720   7.173   9.549
  386    HA   LEU  51           HA       LEU  51   1.291   9.325   8.595
  387   1HB   LEU  51          1HB       LEU  51   3.069   8.259   7.534
  388   2HB   LEU  51          2HB       LEU  51   2.305   6.777   7.415
  389    HG   LEU  51           HG       LEU  51   2.624   8.365   5.359
  390   1HD1  LEU  51          1HD1      LEU  51  -0.087   6.904   5.855
  391   2HD1  LEU  51          2HD1      LEU  51   0.638   7.248   4.187
  392   3HD1  LEU  51          3HD1      LEU  51   1.437   6.148   5.394
  393   1HD2  LEU  51          1HD2      LEU  51   1.369  10.337   6.467
  394   2HD2  LEU  51          2HD2      LEU  51   1.096   9.970   4.743
  395   3HD2  LEU  51          3HD2      LEU  51  -0.113   9.401   5.764
  396    H    ALA  52           H        ALA  52  -0.021   5.827   8.682
  397    HA   ALA  52           HA       ALA  52  -2.560   6.248   7.501
  398   1HB   ALA  52          1HB       ALA  52  -1.572   3.987   7.813
  399   2HB   ALA  52          2HB       ALA  52  -1.632   4.140   9.653
  400   3HB   ALA  52          3HB       ALA  52  -3.169   4.050   8.648
  401    H    LYS  53           H        LYS  53  -1.501   6.698  10.891
  402    HA   LYS  53           HA       LYS  53  -4.071   7.186  12.049
  403   1HB   LYS  53          1HB       LYS  53  -1.367   7.900  13.098
  404   2HB   LYS  53          2HB       LYS  53  -2.800   8.335  13.990
  405   1HG   LYS  53          1HG       LYS  53  -3.416   5.828  14.152
  406   2HG   LYS  53          2HG       LYS  53  -1.921   5.525  13.422
  407   1HD   LYS  53          1HD       LYS  53  -2.286   6.971  16.001
  408   2HD   LYS  53          2HD       LYS  53  -1.726   5.224  15.928
  409   1HE   LYS  53          1HE       LYS  53   0.470   5.928  14.742
  410   2HE   LYS  53          2HE       LYS  53   0.030   7.572  14.899
  411   1HZ   LYS  53          1HZ       LYS  53  -0.085   7.415  17.357
  412   2HZ   LYS  53          2HZ       LYS  53   0.136   5.814  17.343
  413    H    LYS  54           H        LYS  54  -1.614   9.260  10.370
  414    HA   LYS  54           HA       LYS  54  -2.433  11.989  11.054
  415   1HB   LYS  54          1HB       LYS  54   0.000  11.269  10.703
  416   2HB   LYS  54          2HB       LYS  54  -0.394  10.803   9.020
  417   1HG   LYS  54          1HG       LYS  54  -0.998  13.310   8.661
  418   2HG   LYS  54          2HG       LYS  54  -0.398  13.658  10.305
  419   1HD   LYS  54          1HD       LYS  54   1.068  12.170   8.056
  420   2HD   LYS  54          2HD       LYS  54   1.338  13.943   8.367
  421   1HE   LYS  54          1HE       LYS  54   2.647  13.556  10.376
  422   2HE   LYS  54          2HE       LYS  54   1.992  11.948  10.656
  423   1HZ   LYS  54          1HZ       LYS  54   4.301  12.226   9.641
  424   2HZ   LYS  54          2HZ       LYS  54   3.431  10.948   9.256
  425    H    PHE  55           H        PHE  55  -3.366   9.507   8.746
  426    HA   PHE  55           HA       PHE  55  -4.806  11.461   7.017
  427   1HB   PHE  55          1HB       PHE  55  -2.648   9.374   6.422
  428   2HB   PHE  55          2HB       PHE  55  -3.897   9.490   5.380
  429    HD1  PHE  55           1HD      PHE  55  -0.880  10.959   6.650
  430    HD2  PHE  55           2HD      PHE  55  -4.340  11.813   4.127
  431    HE1  PHE  55           1HE      PHE  55   0.114  13.014   5.933
  432    HE2  PHE  55           2HE      PHE  55  -3.156  14.005   3.452
  433    HZ   PHE  55           HZ       PHE  55  -0.976  14.502   4.366
  434    HA   PRO  56           HA       PRO  56  -7.929   8.040   8.202
  435   1HB   PRO  56          1HB       PRO  56 -10.239   9.415   8.757
  436   2HB   PRO  56          2HB       PRO  56  -8.783   9.521   9.706
  437   1HG   PRO  56          1HG       PRO  56  -9.447  11.486   7.446
  438   2HG   PRO  56          2HG       PRO  56  -9.048  11.796   9.146
  439   1HD   PRO  56          1HD       PRO  56  -7.306  11.843   7.096
  440   2HD   PRO  56          2HD       PRO  56  -6.757  11.605   8.866
  441    H    ASN  57           H        ASN  57  -8.100   9.499   5.088
  442    HA   ASN  57           HA       ASN  57 -10.677   8.527   4.317
  443   1HB   ASN  57          1HB       ASN  57 -10.571   9.759   2.316
  444   2HB   ASN  57          2HB       ASN  57 -10.308  10.838   3.766
  445   1HD2  ASN  57          1HD2      ASN  57  -8.597  12.037   3.710
  446   2HD2  ASN  57          2HD2      ASN  57  -7.021  11.842   2.753
  447    H    VAL  58           H        VAL  58  -8.028   7.034   4.870
  448    HA   VAL  58           HA       VAL  58  -7.820   5.583   2.243
  449    HB   VAL  58           HB       VAL  58  -6.619   7.551   2.152
  450   1HG1  VAL  58          1HG1      VAL  58  -5.322   6.993   4.918
  451   2HG1  VAL  58          2HG1      VAL  58  -4.542   8.010   3.742
  452   3HG1  VAL  58          3HG1      VAL  58  -6.151   8.452   4.303
  453   1HG2  VAL  58          1HG2      VAL  58  -4.368   6.768   1.615
  454   2HG2  VAL  58          2HG2      VAL  58  -4.496   5.404   2.692
  455   3HG2  VAL  58          3HG2      VAL  58  -5.581   5.431   1.319
  456    H    THR  59           H        THR  59  -7.530   3.552   2.389
  457    HA   THR  59           HA       THR  59  -7.176   1.947   4.814
  458    HB   THR  59           HB       THR  59  -7.933   1.031   2.064
  459    HG1  THR  59           1HG      THR  59  -9.851   0.814   2.741
  460   1HG2  THR  59          1HG2      THR  59  -8.389  -1.210   3.019
  461   2HG2  THR  59          2HG2      THR  59  -6.712  -0.683   3.083
  462   3HG2  THR  59          3HG2      THR  59  -7.777  -0.597   4.636
  463    H    PHE  60           H        PHE  60  -5.456   0.613   4.975
  464    HA   PHE  60           HA       PHE  60  -3.118   0.717   3.187
  465   1HB   PHE  60          1HB       PHE  60  -3.096   0.936   6.270
  466   2HB   PHE  60          2HB       PHE  60  -1.636   0.759   5.346
  467    HD1  PHE  60           1HD      PHE  60  -1.023   2.634   3.832
  468    HD2  PHE  60           2HD      PHE  60  -4.474   3.087   6.266
  469    HE1  PHE  60           1HE      PHE  60  -0.835   5.223   3.596
  470    HE2  PHE  60           2HE      PHE  60  -4.299   5.457   6.087
  471    HZ   PHE  60           HZ       PHE  60  -2.448   6.598   4.971
  472    H    LEU  61           H        LEU  61  -2.380  -0.997   2.792
  473    HA   LEU  61           HA       LEU  61  -2.367  -3.359   4.555
  474   1HB   LEU  61          1HB       LEU  61  -3.735  -4.691   3.172
  475   2HB   LEU  61          2HB       LEU  61  -4.649  -3.228   3.066
  476    HG   LEU  61           HG       LEU  61  -3.153  -2.918   0.798
  477   1HD1  LEU  61          1HD1      LEU  61  -3.524  -5.831   0.909
  478   2HD1  LEU  61          2HD1      LEU  61  -2.987  -4.964  -0.527
  479   3HD1  LEU  61          3HD1      LEU  61  -2.005  -5.218   1.097
  480   1HD2  LEU  61          1HD2      LEU  61  -5.727  -2.909   0.844
  481   2HD2  LEU  61          2HD2      LEU  61  -5.281  -3.838  -0.525
  482   3HD2  LEU  61          3HD2      LEU  61  -5.724  -4.661   0.981
  483    H    LYS  62           H        LYS  62  -1.293  -5.210   3.620
  484    HA   LYS  62           HA       LYS  62   1.426  -4.478   2.493
  485   1HB   LYS  62          1HB       LYS  62   2.835  -4.727   4.224
  486   2HB   LYS  62          2HB       LYS  62   1.648  -3.552   4.591
  487   1HG   LYS  62          1HG       LYS  62   0.545  -5.180   6.258
  488   2HG   LYS  62          2HG       LYS  62   1.780  -6.446   5.670
  489   1HD   LYS  62          1HD       LYS  62   3.646  -5.420   6.634
  490   2HD   LYS  62          2HD       LYS  62   2.743  -3.763   6.770
  491   1HE   LYS  62          1HE       LYS  62   1.207  -4.961   8.430
  492   2HE   LYS  62          2HE       LYS  62   2.169  -6.292   8.410
  493   1HZ   LYS  62          1HZ       LYS  62   4.156  -4.927   9.019
  494   2HZ   LYS  62          2HZ       LYS  62   2.985  -4.714  10.249
  495    H    VAL  63           H        VAL  63   1.727  -5.839   1.211
  496    HA   VAL  63           HA       VAL  63   0.827  -8.746   1.285
  497    HB   VAL  63           HB       VAL  63   1.813  -6.924  -1.088
  498   1HG1  VAL  63          1HG1      VAL  63   1.454  -9.007  -2.501
  499   2HG1  VAL  63          2HG1      VAL  63   2.483  -9.452  -1.329
  500   3HG1  VAL  63          3HG1      VAL  63   0.724  -9.881  -1.200
  501   1HG2  VAL  63          1HG2      VAL  63  -1.044  -7.963  -0.482
  502   2HG2  VAL  63          2HG2      VAL  63  -0.371  -6.267  -0.340
  503   3HG2  VAL  63          3HG2      VAL  63  -0.407  -7.068  -1.871
  504    H    ASP  64           H        ASP  64   2.028 -10.082   1.815
  505    HA   ASP  64           HA       ASP  64   4.973 -10.048   2.150
  506   1HB   ASP  64          1HB       ASP  64   3.624 -11.169   3.899
  507   2HB   ASP  64          2HB       ASP  64   3.176 -12.375   2.541
  508    HD2  ASP  64           HD       ASP  64   6.995 -12.340   3.629
  509    H    VAL  65           H        VAL  65   5.432  -9.603   0.089
  510    HA   VAL  65           HA       VAL  65   4.843 -10.974  -2.360
  511    HB   VAL  65           HB       VAL  65   6.710  -9.041  -1.677
  512   1HG1  VAL  65          1HG1      VAL  65   9.296  -9.755  -1.892
  513   2HG1  VAL  65          2HG1      VAL  65   8.433 -10.943  -0.874
  514   3HG1  VAL  65          3HG1      VAL  65   8.617 -11.384  -2.539
  515   1HG2  VAL  65          1HG2      VAL  65   7.627  -9.211  -4.027
  516   2HG2  VAL  65          2HG2      VAL  65   6.910 -10.783  -4.262
  517   3HG2  VAL  65          3HG2      VAL  65   5.822  -9.355  -3.971
  518    H    ASP  66           H        ASP  66   6.819 -12.445   0.092
  519    HA   ASP  66           HA       ASP  66   7.895 -14.686  -1.548
  520   1HB   ASP  66          1HB       ASP  66   7.589 -14.505   1.509
  521   2HB   ASP  66          2HB       ASP  66   8.219 -15.885   0.746
  522    HD2  ASP  66           HD       ASP  66  10.466 -12.490   0.670
  523    H    GLU  67           H        GLU  67   4.980 -14.247   0.021
  524    HA   GLU  67           HA       GLU  67   3.546 -16.809  -0.774
  525   1HB   GLU  67          1HB       GLU  67   2.646 -14.531   0.879
  526   2HB   GLU  67          2HB       GLU  67   1.419 -15.373   0.065
  527   1HG   GLU  67          1HG       GLU  67   1.428 -16.240   2.148
  528   2HG   GLU  67          2HG       GLU  67   2.147 -17.590   1.252
  529    HE2  GLU  67           HE       GLU  67   5.080 -17.707   2.682
  530    H    LEU  68           H        LEU  68   3.796 -13.521  -2.047
  531    HA   LEU  68           HA       LEU  68   1.959 -14.172  -4.361
  532   1HB   LEU  68          1HB       LEU  68   1.715 -11.886  -2.371
  533   2HB   LEU  68          2HB       LEU  68   0.888 -11.687  -3.813
  534    HG   LEU  68           HG       LEU  68   0.217 -13.833  -1.812
  535   1HD1  LEU  68          1HD1      LEU  68  -1.945 -12.616  -1.416
  536   2HD1  LEU  68          2HD1      LEU  68  -0.576 -11.646  -1.081
  537   3HD1  LEU  68          3HD1      LEU  68  -1.518 -11.390  -2.578
  538   1HD2  LEU  68          1HD2      LEU  68  -1.430 -14.723  -3.097
  539   2HD2  LEU  68          2HD2      LEU  68  -1.699 -13.254  -4.070
  540   3HD2  LEU  68          3HD2      LEU  68  -0.300 -14.457  -4.294
  541    H    LYS  69           H        LYS  69   4.201 -14.154  -4.977
  542    HA   LYS  69           HA       LYS  69   5.617 -11.825  -5.999
  543   1HB   LYS  69          1HB       LYS  69   7.271 -13.113  -6.883
  544   2HB   LYS  69          2HB       LYS  69   6.981 -13.556  -5.316
  545   1HG   LYS  69          1HG       LYS  69   5.945 -15.661  -5.937
  546   2HG   LYS  69          2HG       LYS  69   5.824 -15.155  -7.606
  547   1HD   LYS  69          1HD       LYS  69   8.246 -15.408  -7.918
  548   2HD   LYS  69          2HD       LYS  69   8.573 -15.390  -6.173
  549   1HE   LYS  69          1HE       LYS  69   7.286 -17.764  -6.071
  550   2HE   LYS  69          2HE       LYS  69   7.382 -17.647  -7.812
  551   1HZ   LYS  69          1HZ       LYS  69   9.909 -17.375  -7.434
  552   2HZ   LYS  69          2HZ       LYS  69   9.616 -17.825  -5.958
  553    H    ALA  70           H        ALA  70   3.676 -14.309  -7.506
  554    HA   ALA  70           HA       ALA  70   3.821 -13.397 -10.348
  555   1HB   ALA  70          1HB       ALA  70   2.052 -14.599 -10.967
  556   2HB   ALA  70          2HB       ALA  70   2.973 -15.678 -10.032
  557   3HB   ALA  70          3HB       ALA  70   1.503 -15.120  -9.178
  558    H    VAL  71           H        VAL  71   1.021 -12.830  -8.307
  559    HA   VAL  71           HA       VAL  71  -0.040 -10.454  -9.850
  560    HB   VAL  71           HB       VAL  71  -1.507 -11.826  -8.318
  561   1HG1  VAL  71          1HG1      VAL  71  -1.277 -11.669  -5.783
  562   2HG1  VAL  71          2HG1      VAL  71   0.449 -11.916  -6.361
  563   3HG1  VAL  71          3HG1      VAL  71  -0.296 -10.309  -5.985
  564   1HG2  VAL  71          1HG2      VAL  71  -2.675 -10.007  -7.256
  565   2HG2  VAL  71          2HG2      VAL  71  -1.349  -9.121  -7.640
  566   3HG2  VAL  71          3HG2      VAL  71  -2.331  -9.527  -8.972
  567    H    ALA  72           H        ALA  72   2.042 -10.461  -6.876
  568    HA   ALA  72           HA       ALA  72   2.275  -7.592  -6.624
  569   1HB   ALA  72          1HB       ALA  72   4.420  -7.503  -5.903
  570   2HB   ALA  72          2HB       ALA  72   3.669  -8.799  -5.019
  571   3HB   ALA  72          3HB       ALA  72   4.910  -9.211  -6.203
  572    H    GLU  73           H        GLU  73   4.274  -9.632  -8.596
  573    HA   GLU  73           HA       GLU  73   5.541  -7.733 -10.137
  574   1HB   GLU  73          1HB       GLU  73   4.940 -10.525 -11.252
  575   2HB   GLU  73          2HB       GLU  73   5.905  -9.200 -12.029
  576   1HG   GLU  73          1HG       GLU  73   7.612  -9.094 -10.429
  577   2HG   GLU  73          2HG       GLU  73   6.898 -10.240  -9.387
  578    HE2  GLU  73           HE       GLU  73   9.414 -11.653 -11.922
  579    H    GLU  74           H        GLU  74   2.369  -8.907 -10.777
  580    HA   GLU  74           HA       GLU  74   1.771  -7.740 -13.382
  581   1HB   GLU  74          1HB       GLU  74   0.187  -9.073 -13.514
  582   2HB   GLU  74          2HB       GLU  74   0.387  -9.847 -11.978
  583   1HG   GLU  74          1HG       GLU  74  -0.955  -8.104 -10.758
  584   2HG   GLU  74          2HG       GLU  74  -1.328  -7.455 -12.330
  585    HE2  GLU  74           HE       GLU  74  -1.096 -10.675 -12.748
  586    H    TRP  75           H        TRP  75   1.025  -6.423 -10.190
  587    HA   TRP  75           HA       TRP  75  -0.371  -4.029 -11.140
  588   1HB   TRP  75          1HB       TRP  75   1.130  -4.472  -8.574
  589   2HB   TRP  75          2HB       TRP  75  -0.080  -3.169  -8.776
  590    HD1  TRP  75           HD       TRP  75   0.514  -6.326  -7.277
  591    HE1  TRP  75           1HE      TRP  75  -1.565  -7.819  -6.852
  592    HE3  TRP  75           3HE      TRP  75  -2.735  -3.618 -10.108
  593    HZ2  TRP  75           2HZ      TRP  75  -4.100  -7.778  -7.772
  594    HZ3  TRP  75           3HZ      TRP  75  -5.091  -4.439 -10.243
  595    HH2  TRP  75           HH       TRP  75  -5.828  -6.376  -9.166
  596    H    ASN  76           H        ASN  76   3.061  -4.706  -9.967
  597    HA   ASN  76           HA       ASN  76   4.361  -4.464 -12.067
  598   1HB   ASN  76          1HB       ASN  76   3.563  -2.570 -13.209
  599   2HB   ASN  76          2HB       ASN  76   4.175  -1.530 -11.887
  600   1HD2  ASN  76          1HD2      ASN  76   6.527  -1.737 -11.403
  601   2HD2  ASN  76          2HD2      ASN  76   7.696  -1.660 -12.732
  602    H    VAL  77           H        VAL  77   5.402  -5.730 -10.381
  603    HA   VAL  77           HA       VAL  77   7.433  -4.337  -8.655
  604    HB   VAL  77           HB       VAL  77   5.809  -6.586  -7.358
  605   1HG1  VAL  77          1HG1      VAL  77   8.133  -5.877  -6.630
  606   2HG1  VAL  77          2HG1      VAL  77   7.305  -4.431  -6.008
  607   3HG1  VAL  77          3HG1      VAL  77   6.771  -6.020  -5.500
  608   1HG2  VAL  77          1HG2      VAL  77   4.530  -5.032  -6.015
  609   2HG2  VAL  77          2HG2      VAL  77   5.208  -3.665  -6.968
  610   3HG2  VAL  77          3HG2      VAL  77   4.256  -4.755  -7.676
  611    H    GLU  78           H        GLU  78   8.602  -5.261 -10.753
  612    HA   GLU  78           HA       GLU  78  10.015  -7.660  -9.921
  613   1HB   GLU  78          1HB       GLU  78  11.289  -7.154 -11.783
  614   2HB   GLU  78          2HB       GLU  78   9.749  -6.896 -12.392
  615   1HG   GLU  78          1HG       GLU  78  11.069  -5.246 -13.361
  616   2HG   GLU  78          2HG       GLU  78  10.018  -4.420 -12.217
  617    HE2  GLU  78           HE       GLU  78  11.345  -2.569 -12.386
  618    H    ALA  79           H        ALA  79   9.711  -4.933  -8.022
  619    HA   ALA  79           HA       ALA  79  12.459  -5.128  -7.006
  620   1HB   ALA  79          1HB       ALA  79  12.989  -2.785  -7.174
  621   2HB   ALA  79          2HB       ALA  79  12.427  -3.230  -8.686
  622   3HB   ALA  79          3HB       ALA  79  11.446  -2.291  -7.646
  623    H    MET  80           H        MET  80  12.472  -5.160  -5.048
  624    HA   MET  80           HA       MET  80  10.486  -4.245  -2.982
  625   1HB   MET  80          1HB       MET  80  13.280  -5.676  -2.937
  626   2HB   MET  80          2HB       MET  80  12.546  -5.111  -1.495
  627   1HG   MET  80          1HG       MET  80  11.930  -7.343  -1.809
  628   2HG   MET  80          2HG       MET  80  10.478  -6.283  -1.643
  629   1HE   MET  80          1HE       MET  80   8.855  -5.279  -3.696
  630   2HE   MET  80          2HE       MET  80   8.243  -6.849  -4.400
  631   3HE   MET  80          3HE       MET  80   8.373  -6.620  -2.583
  632    HA   PRO  81           HA       PRO  81   9.518  -2.740  -3.246
  633   1HB   PRO  81          1HB       PRO  81   9.119  -2.050  -0.583
  634   2HB   PRO  81          2HB       PRO  81  10.041  -3.286  -0.964
  635   1HG   PRO  81          2HG       PRO  81  11.033  -0.602   0.041
  636   2HG   PRO  81          1HG       PRO  81  12.177  -2.189  -0.316
  637   1HD   PRO  81          1HD       PRO  81  11.647   0.289  -2.062
  638   2HD   PRO  81          2HD       PRO  81  12.994  -0.894  -1.968
  639    H    THR  82           H        THR  82   7.667  -2.192  -2.934
  640    HA   THR  82           HA       THR  82   7.249   0.515  -4.297
  641    HB   THR  82           HB       THR  82   6.119  -2.336  -4.976
  642    HG1  THR  82           1HG      THR  82   7.875  -2.629  -6.126
  643   1HG2  THR  82          1HG2      THR  82   6.491   0.215  -6.907
  644   2HG2  THR  82          2HG2      THR  82   5.875  -1.320  -7.317
  645   3HG2  THR  82          3HG2      THR  82   4.974  -0.339  -6.197
  646    H    PHE  83           H        PHE  83   5.693   1.407  -4.080
  647    HA   PHE  83           HA       PHE  83   3.359   1.076  -2.115
  648   1HB   PHE  83          1HB       PHE  83   5.077   3.503  -2.680
  649   2HB   PHE  83          2HB       PHE  83   3.593   3.582  -1.654
  650    HD1  PHE  83           1HD      PHE  83   7.071   2.632  -1.754
  651    HD2  PHE  83           2HD      PHE  83   3.433   2.550   0.396
  652    HE1  PHE  83           1HE      PHE  83   8.278   2.016   0.166
  653    HE2  PHE  83           2HE      PHE  83   4.584   1.480   2.529
  654    HZ   PHE  83           HZ       PHE  83   6.941   1.316   2.431
  655    H    ILE  84           H        ILE  84   1.797   0.905  -3.291
  656    HA   ILE  84           HA       ILE  84   1.407   2.224  -5.993
  657    HB   ILE  84           HB       ILE  84   1.247  -0.709  -5.144
  658   1HG1  ILE  84          1HG1      ILE  84   1.646   0.531  -7.979
  659   2HG1  ILE  84          2HG1      ILE  84   2.864   0.527  -6.648
  660   1HG2  ILE  84          1HG2      ILE  84  -0.618   0.067  -7.355
  661   2HG2  ILE  84          2HG2      ILE  84  -0.137  -1.481  -6.685
  662   3HG2  ILE  84          3HG2      ILE  84  -1.160  -0.503  -5.754
  663   1HD1  ILE  84          1HD1      ILE  84   2.643  -1.955  -6.428
  664   2HD1  ILE  84          2HD1      ILE  84   1.825  -1.988  -7.916
  665   3HD1  ILE  84          3HD1      ILE  84   3.522  -1.348  -7.788
  666    H    PHE  85           H        PHE  85  -0.785   2.731  -6.613
  667    HA   PHE  85           HA       PHE  85  -2.231   3.906  -4.259
  668   1HB   PHE  85          1HB       PHE  85  -1.117   5.390  -6.710
  669   2HB   PHE  85          2HB       PHE  85  -2.256   5.997  -5.464
  670    HD1  PHE  85           1HD      PHE  85   1.426   4.712  -5.538
  671    HD2  PHE  85           2HD      PHE  85  -1.823   6.570  -3.345
  672    HE1  PHE  85           1HE      PHE  85   2.930   5.247  -3.828
  673    HE2  PHE  85           2HE      PHE  85  -0.292   7.158  -1.527
  674    HZ   PHE  85           HZ       PHE  85   2.100   6.584  -1.809
  675    H    LEU  86           H        LEU  86  -4.353   3.385  -4.595
  676    HA   LEU  86           HA       LEU  86  -5.546   2.881  -7.325
  677   1HB   LEU  86          1HB       LEU  86  -4.413   0.803  -5.900
  678   2HB   LEU  86          2HB       LEU  86  -5.831   0.859  -5.026
  679    HG   LEU  86           HG       LEU  86  -6.294  -0.715  -6.313
  680   1HD1  LEU  86          1HD1      LEU  86  -8.217  -0.205  -7.830
  681   2HD1  LEU  86          2HD1      LEU  86  -8.363   0.965  -6.539
  682   3HD1  LEU  86          3HD1      LEU  86  -7.748   1.455  -8.187
  683   1HD2  LEU  86          1HD2      LEU  86  -5.620  -0.931  -8.866
  684   2HD2  LEU  86          2HD2      LEU  86  -5.402   0.847  -8.837
  685   3HD2  LEU  86          3HD2      LEU  86  -4.235  -0.173  -8.020
  686    H    LYS  87           H        LYS  87  -6.998   4.199  -6.989
  687    HA   LYS  87           HA       LYS  87  -8.803   4.727  -4.675
  688   1HB   LYS  87          1HB       LYS  87  -7.143   6.233  -6.387
  689   2HB   LYS  87          2HB       LYS  87  -8.554   6.315  -7.273
  690   1HG   LYS  87          1HG       LYS  87  -9.788   7.327  -5.303
  691   2HG   LYS  87          2HG       LYS  87  -8.428   6.988  -4.284
  692   1HD   LYS  87          1HD       LYS  87  -6.868   8.636  -5.444
  693   2HD   LYS  87          2HD       LYS  87  -8.264   9.210  -6.458
  694   1HE   LYS  87          1HE       LYS  87  -9.446   9.510  -4.126
  695   2HE   LYS  87          2HE       LYS  87  -7.854   9.477  -3.401
  696   1HZ   LYS  87          1HZ       LYS  87  -7.215  11.417  -4.446
  697   2HZ   LYS  87          2HZ       LYS  87  -8.565  11.576  -5.422
  698    H    ASP  88           H        ASP  88 -11.162   4.878  -5.100
  699    HA   ASP  88           HA       ASP  88 -12.621   3.664  -7.133
  700   1HB   ASP  88          1HB       ASP  88 -14.455   4.959  -6.510
  701   2HB   ASP  88          2HB       ASP  88 -13.472   4.880  -5.115
  702    HD2  ASP  88           HD       ASP  88 -12.446   8.379  -5.629
  703    H    GLY  89           H        GLY  89 -10.832   3.812  -8.742
  704   1HA   GLY  89          1HA       GLY  89 -12.141   4.400 -11.237
  705   2HA   GLY  89          2HA       GLY  89 -11.070   5.801 -10.927
  706    H    LYS  90           H        LYS  90 -10.024   2.662 -10.038
  707    HA   LYS  90           HA       LYS  90  -8.329   1.186 -10.532
  708   1HB   LYS  90          1HB       LYS  90  -9.536   1.452 -13.027
  709   2HB   LYS  90          2HB       LYS  90  -8.183   2.380 -13.306
  710   1HG   LYS  90          1HG       LYS  90  -7.763   0.199 -14.243
  711   2HG   LYS  90          2HG       LYS  90  -6.627   0.176 -12.803
  712   1HD   LYS  90          1HD       LYS  90  -9.339  -1.134 -13.044
  713   2HD   LYS  90          2HD       LYS  90  -7.842  -1.886 -13.283
  714   1HE   LYS  90          1HE       LYS  90  -7.164  -1.178 -10.935
  715   2HE   LYS  90          2HE       LYS  90  -8.942  -0.836 -10.693
  716   1HZ   LYS  90          1HZ       LYS  90  -7.878  -3.450 -11.656
  717   2HZ   LYS  90          2HZ       LYS  90  -9.385  -3.199 -11.080
  718    H    LEU  91           H        LEU  91  -5.939   1.483 -11.904
  719    HA   LEU  91           HA       LEU  91  -4.356   2.543  -9.749
  720   1HB   LEU  91          1HB       LEU  91  -3.614   0.708 -11.057
  721   2HB   LEU  91          2HB       LEU  91  -3.286   1.738 -12.563
  722    HG   LEU  91           HG       LEU  91  -1.789   3.082 -10.961
  723   1HD1  LEU  91          1HD1      LEU  91  -2.456   1.286  -8.933
  724   2HD1  LEU  91          2HD1      LEU  91  -1.075   0.346  -9.641
  725   3HD1  LEU  91          3HD1      LEU  91  -0.880   1.999  -8.963
  726   1HD2  LEU  91          1HD2      LEU  91   0.259   1.742 -11.572
  727   2HD2  LEU  91          2HD2      LEU  91  -0.755   0.354 -12.055
  728   3HD2  LEU  91          3HD2      LEU  91  -0.746   1.997 -12.932
  729    H    VAL  92           H        VAL  92  -4.515   4.586  -9.354
  730    HA   VAL  92           HA       VAL  92  -4.077   6.738 -11.213
  731    HB   VAL  92           HB       VAL  92  -4.230   8.222  -9.183
  732   1HG1  VAL  92          1HG1      VAL  92  -6.517   6.186  -9.316
  733   2HG1  VAL  92          2HG1      VAL  92  -6.517   7.786  -8.699
  734   3HG1  VAL  92          3HG1      VAL  92  -6.291   7.500 -10.363
  735   1HG2  VAL  92          1HG2      VAL  92  -4.927   5.964  -7.392
  736   2HG2  VAL  92          2HG2      VAL  92  -3.303   6.721  -7.361
  737   3HG2  VAL  92          3HG2      VAL  92  -4.670   7.728  -7.035
  738    H    ASP  93           H        ASP  93  -1.668   5.135  -8.918
  739    HA   ASP  93           HA       ASP  93   0.588   6.456 -10.392
  740   1HB   ASP  93          1HB       ASP  93  -0.307   8.367  -8.730
  741   2HB   ASP  93          2HB       ASP  93   0.502   7.501  -7.512
  742    HD2  ASP  93           HD       ASP  93   0.500   9.067 -10.603
  743    H    LYS  94           H        LYS  94   2.959   5.783  -9.293
  744    HA   LYS  94           HA       LYS  94   2.960   3.753  -7.522
  745   1HB   LYS  94          1HB       LYS  94   4.012   1.943  -8.877
  746   2HB   LYS  94          2HB       LYS  94   2.343   2.274  -9.208
  747   1HG   LYS  94          1HG       LYS  94   3.021   3.492 -11.356
  748   2HG   LYS  94          2HG       LYS  94   4.810   3.427 -10.841
  749   1HD   LYS  94          1HD       LYS  94   4.787   0.857 -11.019
  750   2HD   LYS  94          2HD       LYS  94   3.081   0.959 -11.193
  751   1HE   LYS  94          1HE       LYS  94   5.090   2.107 -13.269
  752   2HE   LYS  94          2HE       LYS  94   4.443   0.558 -13.401
  753   1HZ   LYS  94          1HZ       LYS  94   3.277   2.045 -14.657
  754   2HZ   LYS  94          2HZ       LYS  94   2.731   2.928 -13.396
  755    H    THR  95           H        THR  95   4.959   3.434  -6.856
  756    HA   THR  95           HA       THR  95   7.192   5.209  -7.419
  757    HB   THR  95           HB       THR  95   5.907   5.989  -4.763
  758    HG1  THR  95           1HG      THR  95   5.367   6.999  -7.098
  759   1HG2  THR  95          1HG2      THR  95   7.676   7.671  -4.671
  760   2HG2  THR  95          2HG2      THR  95   8.126   6.025  -4.391
  761   3HG2  THR  95          3HG2      THR  95   8.612   6.894  -5.951
  762    H    VAL  96           H        VAL  96   8.907   4.465  -6.319
  763    HA   VAL  96           HA       VAL  96   8.818   1.865  -4.747
  764    HB   VAL  96           HB       VAL  96   8.635   0.765  -6.762
  765   1HG1  VAL  96          1HG1      VAL  96  10.997   2.311  -8.033
  766   2HG1  VAL  96          2HG1      VAL  96   9.858   1.199  -8.750
  767   3HG1  VAL  96          3HG1      VAL  96   9.288   2.776  -8.192
  768   1HG2  VAL  96          1HG2      VAL  96  10.283  -0.666  -6.664
  769   2HG2  VAL  96          2HG2      VAL  96  11.646   0.473  -6.187
  770   3HG2  VAL  96          3HG2      VAL  96  10.356  -0.041  -5.067
  771    H    GLY  97           H        GLY  97   9.706   2.737  -3.244
  772   1HA   GLY  97          1HA       GLY  97  12.620   3.174  -3.019
  773   2HA   GLY  97          2HA       GLY  97  11.805   4.692  -2.974
  774    H    ALA  98           H        ALA  98  12.523   4.747  -0.596
  775    HA   ALA  98           HA       ALA  98  10.692   3.554   1.310
  776   1HB   ALA  98          1HB       ALA  98  13.559   2.369   1.706
  777   2HB   ALA  98          2HB       ALA  98  12.025   2.210   2.670
  778   3HB   ALA  98          3HB       ALA  98  12.117   1.453   1.033
  779    H    ASP  99           H        ASP  99  10.579   5.411   2.301
  780    HA   ASP  99           HA       ASP  99  12.932   6.906   3.329
  781   1HB   ASP  99          1HB       ASP  99  12.691   7.792   0.933
  782   2HB   ASP  99          2HB       ASP  99  11.034   8.317   1.479
  783    HD2  ASP  99           HD       ASP  99  12.757  11.197   1.718
  784    H    LYS 100           H        LYS 100  12.319   7.719   5.258
  785    HA   LYS 100           HA       LYS 100   9.785   7.468   6.465
  786   1HB   LYS 100          1HB       LYS 100  10.522   8.581   8.443
  787   2HB   LYS 100          2HB       LYS 100  11.530   7.261   7.841
  788   1HG   LYS 100          1HG       LYS 100  13.316   8.743   7.067
  789   2HG   LYS 100          2HG       LYS 100  12.424  10.146   7.225
  790   1HD   LYS 100          1HD       LYS 100  12.379  10.043   9.638
  791   2HD   LYS 100          2HD       LYS 100  13.195   8.485   9.712
  792   1HE   LYS 100          1HE       LYS 100  15.362   9.460   8.582
  793   2HE   LYS 100          2HE       LYS 100  14.435  11.034   8.417
  794   1HZ   LYS 100          1HZ       LYS 100  14.177  10.941  10.798
  795   2HZ   LYS 100          2HZ       LYS 100  15.127   9.660  10.902
  796    H    ASP 101           H        ASP 101  11.079  10.499   5.490
  797    HA   ASP 101           HA       ASP 101   8.518  11.997   5.846
  798   1HB   ASP 101          1HB       ASP 101   9.679  14.012   4.918
  799   2HB   ASP 101          2HB       ASP 101  10.344  13.333   6.370
  800    HD2  ASP 101           HD       ASP 101  13.412  12.470   5.224
  801    H    GLY 102           H        GLY 102  10.332  10.664   3.186
  802   1HA   GLY 102          1HA       GLY 102   9.089  11.787   0.775
  803   2HA   GLY 102          2HA       GLY 102   9.747  10.132   0.930
  804    H    LEU 103           H        LEU 103   8.244   8.735   2.162
  805    HA   LEU 103           HA       LEU 103   5.872   8.082   0.730
  806   1HB   LEU 103          1HB       LEU 103   6.866   6.404   1.827
  807   2HB   LEU 103          2HB       LEU 103   6.767   7.227   3.361
  808    HG   LEU 103           HG       LEU 103   4.324   6.881   3.370
  809   1HD1  LEU 103          1HD1      LEU 103   3.316   5.130   1.763
  810   2HD1  LEU 103          2HD1      LEU 103   3.786   6.606   0.886
  811   3HD1  LEU 103          3HD1      LEU 103   4.761   5.128   0.781
  812   1HD2  LEU 103          1HD2      LEU 103   5.655   4.133   3.240
  813   2HD2  LEU 103          2HD2      LEU 103   5.843   5.261   4.535
  814   3HD2  LEU 103          3HD2      LEU 103   4.198   4.673   3.988
  815    HA   PRO 104           HA       PRO 104   2.876  10.509   4.108
  816   1HB   PRO 104          1HB       PRO 104   5.163  12.150   5.347
  817   2HB   PRO 104          2HB       PRO 104   3.669  11.723   6.089
  818   1HG   PRO 104          1HG       PRO 104   5.843  10.393   6.672
  819   2HG   PRO 104          2HG       PRO 104   4.424   9.458   6.442
  820   1HD   PRO 104          1HD       PRO 104   6.691   9.845   4.346
  821   2HD   PRO 104          2HD       PRO 104   5.826   8.310   4.763
  822    H    THR 105           H        THR 105   5.677  12.144   2.477
  823    HA   THR 105           HA       THR 105   4.160  14.545   1.716
  824    HB   THR 105           HB       THR 105   6.823  13.381   0.615
  825    HG1  THR 105           1HG      THR 105   7.688  15.127   1.931
  826   1HG2  THR 105          1HG2      THR 105   7.381  15.396  -0.610
  827   2HG2  THR 105          2HG2      THR 105   5.771  15.085  -1.076
  828   3HG2  THR 105          3HG2      THR 105   6.152  16.243   0.267
  829    H    LEU 106           H        LEU 106   4.853  11.591  -0.132
  830    HA   LEU 106           HA       LEU 106   3.557  12.190  -2.568
  831   1HB   LEU 106          1HB       LEU 106   5.304  10.359  -2.255
  832   2HB   LEU 106          2HB       LEU 106   4.233   9.648  -1.087
  833    HG   LEU 106           HG       LEU 106   2.619   8.951  -2.810
  834   1HD1  LEU 106          1HD1      LEU 106   2.957   9.171  -5.322
  835   2HD1  LEU 106          2HD1      LEU 106   3.050  10.877  -4.694
  836   3HD1  LEU 106          3HD1      LEU 106   4.553   9.906  -4.946
  837   1HD2  LEU 106          1HD2      LEU 106   3.976   7.244  -3.865
  838   2HD2  LEU 106          2HD2      LEU 106   5.581   8.214  -3.574
  839   3HD2  LEU 106          3HD2      LEU 106   4.428   7.407  -2.308
  840    H    VAL 107           H        VAL 107   2.616  10.419   0.267
  841    HA   VAL 107           HA       VAL 107  -0.167   9.909  -0.413
  842    HB   VAL 107           HB       VAL 107   1.188   9.747   2.203
  843   1HG1  VAL 107          1HG1      VAL 107  -1.201   9.936   2.720
  844   2HG1  VAL 107          2HG1      VAL 107  -1.850   8.780   1.490
  845   3HG1  VAL 107          3HG1      VAL 107  -0.889   8.277   2.883
  846   1HG2  VAL 107          1HG2      VAL 107   1.256   7.351   1.745
  847   2HG2  VAL 107          2HG2      VAL 107   0.282   7.377   0.379
  848   3HG2  VAL 107          3HG2      VAL 107   1.787   8.096   0.228
  849    H    ALA 108           H        ALA 108   1.116  12.598   1.431
  850    HA   ALA 108           HA       ALA 108  -1.309  14.156   1.810
  851   1HB   ALA 108          1HB       ALA 108   0.129  15.983   2.253
  852   2HB   ALA 108          2HB       ALA 108   1.011  14.642   2.931
  853   3HB   ALA 108          3HB       ALA 108   1.460  15.253   1.311
  854    H    LYS 109           H        LYS 109   0.962  14.126  -1.043
  855    HA   LYS 109           HA       LYS 109  -0.798  15.875  -2.686
  856   1HB   LYS 109          1HB       LYS 109   1.296  13.575  -3.605
  857   2HB   LYS 109          2HB       LYS 109   0.727  14.892  -4.611
  858   1HG   LYS 109          1HG       LYS 109   1.911  16.604  -3.883
  859   2HG   LYS 109          2HG       LYS 109   2.368  15.820  -2.339
  860   1HD   LYS 109          1HD       LYS 109   3.611  14.096  -3.755
  861   2HD   LYS 109          2HD       LYS 109   3.116  14.965  -5.242
  862   1HE   LYS 109          1HE       LYS 109   4.505  16.958  -4.334
  863   2HE   LYS 109          2HE       LYS 109   5.062  16.016  -2.953
  864   1HZ   LYS 109          1HZ       LYS 109   6.093  14.464  -4.509
  865   2HZ   LYS 109          2HZ       LYS 109   5.629  15.310  -5.746
  866    H    HIS 110           H        HIS 110  -0.912  12.416  -2.224
  867    HA   HIS 110           HA       HIS 110  -2.928  11.848  -4.404
  868   1HB   HIS 110          1HB       HIS 110  -1.422  10.299  -2.274
  869   2HB   HIS 110          2HB       HIS 110  -2.851   9.526  -2.699
  870    HD1  HIS 110           1HD      HIS 110  -3.027   8.293  -4.913
  871    HD2  HIS 110           2HD      HIS 110   0.173  11.014  -4.867
  872    HE1  HIS 110           1HE      HIS 110  -1.981   8.581  -7.252
  873    H    ALA 111           H        ALA 111  -3.167  11.563  -0.860
  874    HA   ALA 111           HA       ALA 111  -5.987  11.401  -0.463
  875   1HB   ALA 111          1HB       ALA 111  -5.492  12.161   1.883
  876   2HB   ALA 111          2HB       ALA 111  -4.315  11.033   1.299
  877   3HB   ALA 111          3HB       ALA 111  -3.952  12.756   1.409
  878    H    THR 112           H        THR 112  -4.262  14.497  -0.366
  879    HA   THR 112           HA       THR 112  -6.651  16.169  -0.641
  880    HB   THR 112           HB       THR 112  -3.936  17.133  -1.483
  881    HG1  THR 112           1HG      THR 112  -3.737  16.216   0.624
  882   1HG2  THR 112          1HG2      THR 112  -5.508  18.822  -1.974
  883   2HG2  THR 112          2HG2      THR 112  -6.261  18.566  -0.338
  884   3HG2  THR 112          3HG2      THR 112  -4.588  19.250  -0.491
  885    H    ALA 113           H        ALA 113  -4.246  15.296  -3.087
  886    HA   ALA 113           HA       ALA 113  -4.262  15.718  -5.276
  887   1HB   ALA 113          1HB       ALA 113  -6.813  14.128  -5.145
  888   2HB   ALA 113          2HB       ALA 113  -5.996  14.382  -6.662
  889   3HB   ALA 113          3HB       ALA 113  -5.212  13.462  -5.443
  890    HXT  ALA 113           HO       ALA 113  -5.642  18.649  -6.047
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1 -12.451   4.894  17.271
    2   2H    ALA   1          2H        ALA   1 -12.500   6.351  18.083
    3    HA   ALA   1           HA       ALA   1 -11.039   7.310  16.945
    4   1HB   ALA   1          1HB       ALA   1  -9.269   5.549  16.025
    5   2HB   ALA   1          2HB       ALA   1  -9.832   5.456  17.689
    6   3HB   ALA   1          3HB       ALA   1 -10.378   4.265  16.492
    7    H    GLU   2           H        GLU   2 -10.484   7.942  14.927
    8    HA   GLU   2           HA       GLU   2 -11.925   7.207  12.344
    9   1HB   GLU   2          1HB       GLU   2 -12.937   9.299  13.408
   10   2HB   GLU   2          2HB       GLU   2 -11.413  10.072  13.087
   11   1HG   GLU   2          1HG       GLU   2 -11.565   9.933  10.617
   12   2HG   GLU   2          2HG       GLU   2 -12.904   8.803  10.736
   13    HE2  GLU   2           HE       GLU   2 -15.313  11.103  11.600
   14    H    GLU   3           H        GLU   3 -10.043   6.086  11.409
   15    HA   GLU   3           HA       GLU   3  -7.757   7.609  10.781
   16   1HB   GLU   3          1HB       GLU   3  -6.005   6.356  12.027
   17   2HB   GLU   3          2HB       GLU   3  -7.016   7.360  12.973
   18   1HG   GLU   3          1HG       GLU   3  -8.403   5.321  13.693
   19   2HG   GLU   3          2HG       GLU   3  -7.339   4.274  12.728
   20    HE2  GLU   3           HE       GLU   3  -6.427   4.773  16.415
   21    H    GLY   4           H        GLY   4  -6.230   6.172   9.831
   22   1HA   GLY   4          1HA       GLY   4  -7.404   4.133   7.941
   23   2HA   GLY   4          2HA       GLY   4  -5.849   4.843   7.712
   24    H    GLN   5           H        GLN   5  -5.608   2.186   7.624
   25    HA   GLN   5           HA       GLN   5  -4.453   1.231  10.154
   26   1HB   GLN   5          1HB       GLN   5  -5.906  -0.587  10.388
   27   2HB   GLN   5          2HB       GLN   5  -6.932   0.829  10.483
   28   1HG   GLN   5          1HG       GLN   5  -7.114  -0.283   7.738
   29   2HG   GLN   5          2HG       GLN   5  -7.527  -1.613   8.924
   30   1HE2  GLN   5          1HE2      GLN   5  -9.525  -1.367  10.084
   31   2HE2  GLN   5          2HE2      GLN   5 -10.633   0.089   9.611
   32    H    VAL   6           H        VAL   6  -2.861  -0.081   9.540
   33    HA   VAL   6           HA       VAL   6  -2.461  -1.078   6.836
   34    HB   VAL   6           HB       VAL   6  -0.903  -1.380   9.255
   35   1HG1  VAL   6          1HG1      VAL   6   1.242  -1.870   7.792
   36   2HG1  VAL   6          2HG1      VAL   6   0.029  -3.131   7.581
   37   3HG1  VAL   6          3HG1      VAL   6   0.019  -1.793   6.411
   38   1HG2  VAL   6          1HG2      VAL   6  -0.717   0.792   7.241
   39   2HG2  VAL   6          2HG2      VAL   6  -1.024   0.864   8.923
   40   3HG2  VAL   6          3HG2      VAL   6   0.624   0.611   8.301
   41    H    ILE   7           H        ILE   7  -3.301  -2.897   6.462
   42    HA   ILE   7           HA       ILE   7  -3.995  -5.171   8.331
   43    HB   ILE   7           HB       ILE   7  -5.877  -3.857   7.189
   44   1HG1  ILE   7          1HG1      ILE   7  -6.496  -5.707   8.547
   45   2HG1  ILE   7          2HG1      ILE   7  -7.340  -5.729   7.042
   46   1HG2  ILE   7          1HG2      ILE   7  -5.058  -4.107   4.802
   47   2HG2  ILE   7          2HG2      ILE   7  -5.327  -5.812   4.936
   48   3HG2  ILE   7          3HG2      ILE   7  -6.661  -4.777   4.925
   49   1HD1  ILE   7          1HD1      ILE   7  -5.550  -7.602   6.219
   50   2HD1  ILE   7          2HD1      ILE   7  -5.060  -7.624   7.989
   51   3HD1  ILE   7          3HD1      ILE   7  -6.724  -7.960   7.579
   52    H    ALA   8           H        ALA   8  -3.007  -6.817   8.153
   53    HA   ALA   8           HA       ALA   8  -0.842  -7.654   6.361
   54   1HB   ALA   8          1HB       ALA   8  -1.129  -9.988   7.863
   55   2HB   ALA   8          2HB       ALA   8  -0.546  -8.432   8.652
   56   3HB   ALA   8          3HB       ALA   8  -2.200  -8.821   8.843
   57    H    CYS   9           H        CYS   9  -0.943  -8.652   4.664
   58    HA   CYS   9           HA       CYS   9  -3.094 -10.500   3.674
   59   1HB   CYS   9          1HB       CYS   9  -1.536  -8.246   2.243
   60   2HB   CYS   9          2HB       CYS   9  -2.412  -9.421   1.355
   61    HG   CYS   9           HG       CYS   9  -4.717  -8.683   2.776
   62    H    HIS  10           H        HIS  10  -2.580 -12.345   2.494
   63    HA   HIS  10           HA       HIS  10   0.187 -13.271   1.890
   64   1HB   HIS  10          1HB       HIS  10  -1.528 -14.613   4.020
   65   2HB   HIS  10          2HB       HIS  10  -0.167 -15.292   3.215
   66    HD1  HIS  10           1HD      HIS  10   2.435 -14.119   3.739
   67    HD2  HIS  10           2HD      HIS  10  -0.890 -12.986   6.264
   68    HE1  HIS  10           1HE      HIS  10   3.169 -12.982   5.849
   69    H    THR  11           H        THR  11  -3.234 -13.569   1.077
   70    HA   THR  11           HA       THR  11  -2.752 -15.888  -0.782
   71    HB   THR  11           HB       THR  11  -5.206 -16.627   0.513
   72    HG1  THR  11           1HG      THR  11  -5.373 -15.950   2.422
   73   1HG2  THR  11          1HG2      THR  11  -3.352 -18.083   0.347
   74   2HG2  THR  11          2HG2      THR  11  -2.397 -17.277   1.585
   75   3HG2  THR  11          3HG2      THR  11  -3.902 -18.018   2.083
   76    H    VAL  12           H        VAL  12  -4.882 -16.288  -2.142
   77    HA   VAL  12           HA       VAL  12  -6.133 -14.267  -3.397
   78    HB   VAL  12           HB       VAL  12  -6.572 -16.534  -4.021
   79   1HG1  VAL  12          1HG1      VAL  12  -8.887 -16.426  -1.791
   80   2HG1  VAL  12          2HG1      VAL  12  -8.618 -17.731  -2.865
   81   3HG1  VAL  12          3HG1      VAL  12  -7.341 -17.425  -1.655
   82   1HG2  VAL  12          1HG2      VAL  12  -7.916 -14.825  -5.127
   83   2HG2  VAL  12          2HG2      VAL  12  -8.930 -16.201  -4.789
   84   3HG2  VAL  12          3HG2      VAL  12  -9.060 -14.684  -3.839
   85    H    ASP  13           H        ASP  13  -6.686 -14.622  -0.276
   86    HA   ASP  13           HA       ASP  13  -9.234 -13.215   0.375
   87   1HB   ASP  13          1HB       ASP  13  -6.680 -13.427   2.245
   88   2HB   ASP  13          2HB       ASP  13  -8.131 -12.760   2.753
   89    HD2  ASP  13           HD       ASP  13  -9.933 -14.324   2.301
   90    H    THR  14           H        THR  14  -5.901 -11.982   0.680
   91    HA   THR  14           HA       THR  14  -6.552  -9.157   0.440
   92    HB   THR  14           HB       THR  14  -4.185 -10.304   0.758
   93    HG1  THR  14           1HG      THR  14  -4.124  -7.906  -0.797
   94   1HG2  THR  14          1HG2      THR  14  -3.994 -10.890  -1.903
   95   2HG2  THR  14          2HG2      THR  14  -3.577  -9.166  -1.987
   96   3HG2  THR  14          3HG2      THR  14  -2.524 -10.179  -0.949
   97    H    TRP  15           H        TRP  15  -6.490 -11.294  -2.353
   98    HA   TRP  15           HA       TRP  15  -6.934  -9.310  -4.535
   99   1HB   TRP  15          1HB       TRP  15  -7.322 -12.461  -4.263
  100   2HB   TRP  15          2HB       TRP  15  -8.208 -11.662  -5.474
  101    HD1  TRP  15           HD       TRP  15  -4.602 -12.654  -4.788
  102    HE1  TRP  15           1HE      TRP  15  -3.192 -12.513  -7.008
  103    HE3  TRP  15           3HE      TRP  15  -8.305 -10.912  -7.673
  104    HZ2  TRP  15           2HZ      TRP  15  -3.790 -11.516  -9.596
  105    HZ3  TRP  15           3HZ      TRP  15  -7.858 -10.264  -9.974
  106    HH2  TRP  15           HH       TRP  15  -5.673 -10.455 -10.951
  107    H    LYS  16           H        LYS  16  -9.147 -10.951  -2.589
  108    HA   LYS  16           HA       LYS  16 -11.472  -9.335  -3.319
  109   1HB   LYS  16          1HB       LYS  16 -11.086 -10.742  -0.615
  110   2HB   LYS  16          2HB       LYS  16 -12.537 -10.074  -1.097
  111   1HG   LYS  16          1HG       LYS  16 -12.642 -11.437  -3.236
  112   2HG   LYS  16          2HG       LYS  16 -11.342 -12.297  -2.871
  113   1HD   LYS  16          1HD       LYS  16 -13.883 -12.206  -1.217
  114   2HD   LYS  16          2HD       LYS  16 -13.428 -13.388  -2.478
  115   1HE   LYS  16          1HE       LYS  16 -11.331 -13.965  -0.965
  116   2HE   LYS  16          2HE       LYS  16 -12.036 -12.991   0.405
  117   1HZ   LYS  16          1HZ       LYS  16 -13.767 -14.651   0.480
  118   2HZ   LYS  16          2HZ       LYS  16 -13.257 -15.302  -0.921
  119    H    GLU  17           H        GLU  17  -9.211  -8.795  -0.551
  120    HA   GLU  17           HA       GLU  17 -10.519  -6.462   0.562
  121   1HB   GLU  17          1HB       GLU  17  -7.633  -7.276   0.979
  122   2HB   GLU  17          2HB       GLU  17  -8.498  -5.906   1.736
  123   1HG   GLU  17          1HG       GLU  17 -10.074  -7.866   2.618
  124   2HG   GLU  17          2HG       GLU  17  -9.002  -8.886   1.828
  125    HE2  GLU  17           HE       GLU  17  -6.429  -9.076   3.968
  126    H    HIS  18           H        HIS  18  -7.606  -6.568  -1.429
  127    HA   HIS  18           HA       HIS  18  -7.103  -3.770  -2.002
  128   1HB   HIS  18          1HB       HIS  18  -5.810  -6.117  -2.278
  129   2HB   HIS  18          2HB       HIS  18  -6.785  -6.287  -3.654
  130    HD1  HIS  18           1HD      HIS  18  -6.581  -3.486  -5.416
  131    HD2  HIS  18           2HD      HIS  18  -3.454  -5.465  -3.321
  132    HE1  HIS  18           1HE      HIS  18  -4.297  -2.585  -6.071
  133    H    PHE  19           H        PHE  19  -8.813  -5.948  -3.941
  134    HA   PHE  19           HA       PHE  19  -9.248  -4.109  -6.019
  135   1HB   PHE  19          1HB       PHE  19  -9.312  -6.646  -6.320
  136   2HB   PHE  19          2HB       PHE  19 -10.930  -6.607  -5.690
  137    HD1  PHE  19           1HD      PHE  19 -12.731  -6.176  -7.502
  138    HD2  PHE  19           2HD      PHE  19  -8.595  -5.519  -8.589
  139    HE1  PHE  19           1HE      PHE  19 -13.352  -6.159  -9.781
  140    HE2  PHE  19           2HE      PHE  19  -9.253  -5.212 -10.806
  141    HZ   PHE  19           HZ       PHE  19 -11.630  -5.672 -11.505
  142    H    GLU  20           H        GLU  20 -11.874  -5.466  -4.028
  143    HA   GLU  20           HA       GLU  20 -13.818  -3.626  -4.860
  144   1HB   GLU  20          1HB       GLU  20 -13.965  -5.509  -2.478
  145   2HB   GLU  20          2HB       GLU  20 -15.143  -4.400  -2.864
  146   1HG   GLU  20          1HG       GLU  20 -14.115  -6.706  -4.394
  147   2HG   GLU  20          2HG       GLU  20 -15.712  -6.651  -3.612
  148    HE2  GLU  20           HE       GLU  20 -17.400  -5.043  -6.040
  149    H    LYS  21           H        LYS  21 -11.850  -3.401  -1.736
  150    HA   LYS  21           HA       LYS  21 -12.951  -0.988  -0.923
  151   1HB   LYS  21          1HB       LYS  21 -10.009  -1.983  -0.619
  152   2HB   LYS  21          2HB       LYS  21 -10.558  -0.397   0.117
  153   1HG   LYS  21          1HG       LYS  21 -12.422  -2.598   0.742
  154   2HG   LYS  21          2HG       LYS  21 -10.779  -2.963   1.273
  155   1HD   LYS  21          1HD       LYS  21 -10.868  -0.618   2.421
  156   2HD   LYS  21          2HD       LYS  21 -12.559  -0.419   1.726
  157   1HE   LYS  21          1HE       LYS  21 -13.101  -1.154   3.912
  158   2HE   LYS  21          2HE       LYS  21 -13.204  -2.655   3.011
  159   1HZ   LYS  21          1HZ       LYS  21 -11.746  -2.793   5.022
  160   2HZ   LYS  21          2HZ       LYS  21 -10.926  -3.083   3.554
  161    H    GLY  22           H        GLY  22 -10.046  -1.160  -3.074
  162   1HA   GLY  22          1HA       GLY  22  -9.588   1.582  -4.042
  163   2HA   GLY  22          2HA       GLY  22  -9.413   0.125  -4.810
  164    H    LYS  23           H        LYS  23 -10.779  -0.521  -6.402
  165    HA   LYS  23           HA       LYS  23 -12.951   1.173  -7.419
  166   1HB   LYS  23          1HB       LYS  23 -11.782   0.066  -9.106
  167   2HB   LYS  23          2HB       LYS  23 -12.331  -1.469  -8.450
  168   1HG   LYS  23          1HG       LYS  23 -14.656   0.244  -9.040
  169   2HG   LYS  23          2HG       LYS  23 -13.611   0.503 -10.411
  170   1HD   LYS  23          1HD       LYS  23 -14.702  -2.158  -9.513
  171   2HD   LYS  23          2HD       LYS  23 -15.170  -1.376 -10.887
  172   1HE   LYS  23          1HE       LYS  23 -12.437  -2.810 -10.421
  173   2HE   LYS  23          2HE       LYS  23 -13.738  -3.191 -11.448
  174   1HZ   LYS  23          1HZ       LYS  23 -13.524  -1.441 -12.883
  175   2HZ   LYS  23          2HZ       LYS  23 -12.101  -0.887 -12.093
  176    H    GLY  24           H        GLY  24 -14.250   1.374  -5.881
  177   1HA   GLY  24          1HA       GLY  24 -16.658   0.236  -6.113
  178   2HA   GLY  24          2HA       GLY  24 -16.099  -0.891  -4.965
  179    H    SER  25           H        SER  25 -14.560   1.193  -3.605
  180    HA   SER  25           HA       SER  25 -16.694   2.414  -1.794
  181   1HB   SER  25          1HB       SER  25 -13.983   1.442  -0.723
  182   2HB   SER  25          2HB       SER  25 -15.312   2.282   0.142
  183    HG   SER  25           HG       SER  25 -16.501   0.312  -0.833
  184    H    GLN  26           H        GLN  26 -16.831   4.505  -2.082
  185    HA   GLN  26           HA       GLN  26 -14.918   6.259  -3.387
  186   1HB   GLN  26          1HB       GLN  26 -17.210   6.870  -1.410
  187   2HB   GLN  26          2HB       GLN  26 -16.159   8.227  -2.006
  188   1HG   GLN  26          1HG       GLN  26 -17.995   8.243  -3.534
  189   2HG   GLN  26          2HG       GLN  26 -16.899   7.346  -4.404
  190   1HE2  GLN  26          1HE2      GLN  26 -18.582   6.574  -5.611
  191   2HE2  GLN  26          2HE2      GLN  26 -19.606   5.166  -5.060
  192    H    LYS  27           H        LYS  27 -13.049   5.429  -2.527
  193    HA   LYS  27           HA       LYS  27 -11.730   7.247  -0.641
  194   1HB   LYS  27          1HB       LYS  27 -11.068   5.538   0.957
  195   2HB   LYS  27          2HB       LYS  27 -12.816   5.597   0.959
  196   1HG   LYS  27          1HG       LYS  27 -12.730   3.453  -0.538
  197   2HG   LYS  27          2HG       LYS  27 -11.069   3.564  -0.650
  198   1HD   LYS  27          1HD       LYS  27 -11.933   1.858   0.991
  199   2HD   LYS  27          2HD       LYS  27 -10.745   2.960   1.611
  200   1HE   LYS  27          1HE       LYS  27 -12.253   4.221   2.840
  201   2HE   LYS  27          2HE       LYS  27 -13.652   3.334   2.046
  202   1HZ   LYS  27          1HZ       LYS  27 -12.102   2.618   4.375
  203   2HZ   LYS  27          2HZ       LYS  27 -13.437   1.930   3.851
  204    H    LEU  28           H        LEU  28  -9.525   6.785  -0.389
  205    HA   LEU  28           HA       LEU  28  -8.002   5.819  -2.830
  206   1HB   LEU  28          1HB       LEU  28  -7.549   8.007  -2.013
  207   2HB   LEU  28          2HB       LEU  28  -7.267   7.528  -0.493
  208    HG   LEU  28           HG       LEU  28  -5.154   6.439  -0.987
  209   1HD1  LEU  28          1HD1      LEU  28  -3.995   6.656  -3.351
  210   2HD1  LEU  28          2HD1      LEU  28  -5.307   5.572  -3.263
  211   3HD1  LEU  28          3HD1      LEU  28  -5.443   7.191  -3.846
  212   1HD2  LEU  28          1HD2      LEU  28  -5.258   9.329  -1.947
  213   2HD2  LEU  28          2HD2      LEU  28  -4.830   8.614  -0.346
  214   3HD2  LEU  28          3HD2      LEU  28  -3.741   8.340  -1.677
  215    H    ILE  29           H        ILE  29  -6.402   4.025  -2.419
  216    HA   ILE  29           HA       ILE  29  -6.244   2.587   0.170
  217    HB   ILE  29           HB       ILE  29  -6.391   0.528  -0.557
  218   1HG1  ILE  29          1HG1      ILE  29  -7.483   0.854  -3.341
  219   2HG1  ILE  29          2HG1      ILE  29  -5.705   0.929  -3.148
  220   1HG2  ILE  29          1HG2      ILE  29  -8.801   0.268  -0.902
  221   2HG2  ILE  29          2HG2      ILE  29  -8.427   1.660   0.171
  222   3HG2  ILE  29          3HG2      ILE  29  -8.916   1.996  -1.589
  223   1HD1  ILE  29          1HD1      ILE  29  -7.377  -1.456  -1.902
  224   2HD1  ILE  29          2HD1      ILE  29  -6.661  -1.490  -3.585
  225   3HD1  ILE  29          3HD1      ILE  29  -5.595  -1.337  -2.210
  226    H    VAL  30           H        VAL  30  -4.036   2.012   0.419
  227    HA   VAL  30           HA       VAL  30  -1.956   2.503  -1.692
  228    HB   VAL  30           HB       VAL  30  -1.858   3.766   0.980
  229   1HG1  VAL  30          1HG1      VAL  30   0.345   2.895   0.232
  230   2HG1  VAL  30          2HG1      VAL  30   0.338   3.888  -1.242
  231   3HG1  VAL  30          3HG1      VAL  30   0.339   4.653   0.409
  232   1HG2  VAL  30          1HG2      VAL  30  -1.537   5.924  -0.596
  233   2HG2  VAL  30          2HG2      VAL  30  -2.649   4.868  -1.602
  234   3HG2  VAL  30          3HG2      VAL  30  -3.120   5.378   0.038
  235    H    VAL  31           H        VAL  31  -0.444   1.079  -1.634
  236    HA   VAL  31           HA       VAL  31  -0.502  -1.116   0.367
  237    HB   VAL  31           HB       VAL  31  -2.242  -1.714  -1.023
  238   1HG1  VAL  31          1HG1      VAL  31  -0.413  -1.105  -3.394
  239   2HG1  VAL  31          2HG1      VAL  31  -1.830  -2.278  -3.681
  240   3HG1  VAL  31          3HG1      VAL  31  -2.052  -0.589  -2.846
  241   1HG2  VAL  31          1HG2      VAL  31  -1.611  -3.898  -2.270
  242   2HG2  VAL  31          2HG2      VAL  31   0.014  -3.531  -1.711
  243   3HG2  VAL  31          3HG2      VAL  31  -1.164  -3.818  -0.471
  244    H    ASP  32           H        ASP  32   1.380  -1.488   0.939
  245    HA   ASP  32           HA       ASP  32   3.744  -1.421  -0.650
  246   1HB   ASP  32          1HB       ASP  32   3.770  -0.895   1.751
  247   2HB   ASP  32          2HB       ASP  32   3.519  -2.648   2.182
  248    HD2  ASP  32           HD       ASP  32   7.033  -1.356   0.851
  249    H    PHE  33           H        PHE  33   5.053  -2.998  -1.042
  250    HA   PHE  33           HA       PHE  33   4.253  -5.825  -1.340
  251   1HB   PHE  33          1HB       PHE  33   5.114  -4.188  -3.753
  252   2HB   PHE  33          2HB       PHE  33   5.368  -5.888  -3.598
  253    HD1  PHE  33           1HD      PHE  33   3.367  -7.478  -3.385
  254    HD2  PHE  33           2HD      PHE  33   2.631  -3.220  -3.854
  255    HE1  PHE  33           1HE      PHE  33   0.817  -7.775  -4.033
  256    HE2  PHE  33           2HE      PHE  33   0.291  -3.644  -4.123
  257    HZ   PHE  33           HZ       PHE  33  -0.711  -5.914  -4.410
  258    H    THR  34           H        THR  34   5.854  -6.883  -0.100
  259    HA   THR  34           HA       THR  34   8.631  -5.874  -0.210
  260    HB   THR  34           HB       THR  34   7.264  -4.302   1.452
  261    HG1  THR  34           1HG      THR  34   8.955  -4.754   3.109
  262   1HG2  THR  34          1HG2      THR  34   7.074  -6.638   3.310
  263   2HG2  THR  34          2HG2      THR  34   6.679  -4.929   3.637
  264   3HG2  THR  34          3HG2      THR  34   5.689  -5.992   2.542
  265    H    ALA  35           H        ALA  35   9.718  -7.431   0.526
  266    HA   ALA  35           HA       ALA  35   8.702 -10.137   1.235
  267   1HB   ALA  35          1HB       ALA  35  11.095 -10.857   0.474
  268   2HB   ALA  35          2HB       ALA  35  10.698  -9.396  -0.551
  269   3HB   ALA  35          3HB       ALA  35  11.754  -9.190   0.843
  270    H    SER  36           H        SER  36   8.637 -10.823   3.317
  271    HA   SER  36           HA       SER  36   9.204  -9.448   5.643
  272   1HB   SER  36          1HB       SER  36   8.013 -11.803   5.253
  273   2HB   SER  36          2HB       SER  36   9.625 -12.571   5.351
  274    HG   SER  36           HG       SER  36   9.682 -11.495   7.385
  275    H    TRP  37           H        TRP  37  11.811 -11.404   4.161
  276    HA   TRP  37           HA       TRP  37  14.025 -10.471   5.930
  277   1HB   TRP  37          1HB       TRP  37  15.455 -11.582   4.030
  278   2HB   TRP  37          2HB       TRP  37  14.301 -12.484   4.801
  279    HD1  TRP  37           HD       TRP  37  11.954 -13.321   3.460
  280    HE1  TRP  37           1HE      TRP  37  11.419 -13.612   1.094
  281    HE3  TRP  37           3HE      TRP  37  15.860 -10.575   1.503
  282    HZ2  TRP  37           2HZ      TRP  37  12.721 -12.920  -1.361
  283    HZ3  TRP  37           3HZ      TRP  37  16.114 -10.425  -0.938
  284    HH2  TRP  37           HH       TRP  37  14.548 -11.478  -2.454
  285    H    CYS  38           H        CYS  38  13.571  -8.308   6.089
  286    HA   CYS  38           HA       CYS  38  14.886  -6.390   4.241
  287   1HB   CYS  38          1HB       CYS  38  12.801  -6.626   2.862
  288   2HB   CYS  38          2HB       CYS  38  11.803  -6.379   4.265
  289    HG   CYS  38           HG       CYS  38  13.704  -4.367   2.462
  290    HA   PRO  39           HA       PRO  39  14.650  -4.817   8.598
  291   1HB   PRO  39          1HB       PRO  39  17.337  -4.086   7.871
  292   2HB   PRO  39          2HB       PRO  39  16.666  -4.779   9.417
  293   1HG   PRO  39          1HG       PRO  39  18.158  -6.352   7.822
  294   2HG   PRO  39          2HG       PRO  39  16.588  -6.954   8.556
  295   1HD   PRO  39          1HD       PRO  39  16.869  -5.859   5.650
  296   2HD   PRO  39          2HD       PRO  39  16.180  -7.380   6.283
  297    HA   PRO  40           HA       PRO  40  15.103  -0.325   6.503
  298   1HB   PRO  40          1HB       PRO  40  14.579  -1.312   3.703
  299   2HB   PRO  40          2HB       PRO  40  15.613   0.155   4.237
  300   1HG   PRO  40          1HG       PRO  40  16.907  -2.033   3.495
  301   2HG   PRO  40          2HG       PRO  40  17.367  -1.236   4.911
  302   1HD   PRO  40          1HD       PRO  40  15.815  -3.754   4.691
  303   2HD   PRO  40          2HD       PRO  40  17.027  -3.306   5.766
  304    H    CYS  41           H        CYS  41  13.008  -2.570   4.864
  305    HA   CYS  41           HA       CYS  41  10.534  -1.078   5.215
  306   1HB   CYS  41          1HB       CYS  41  10.621  -3.906   4.492
  307   2HB   CYS  41          2HB       CYS  41   9.244  -2.835   4.636
  308    HG   CYS  41           HG       CYS  41   9.351  -2.041   2.635
  309    H    LYS  42           H        LYS  42  12.040  -3.412   7.229
  310    HA   LYS  42           HA       LYS  42   9.928  -3.682   9.273
  311   1HB   LYS  42          1HB       LYS  42  11.868  -5.191   9.183
  312   2HB   LYS  42          2HB       LYS  42  12.950  -3.944   9.662
  313   1HG   LYS  42          1HG       LYS  42  11.822  -3.999  11.924
  314   2HG   LYS  42          2HG       LYS  42  10.534  -5.009  11.318
  315   1HD   LYS  42          1HD       LYS  42  12.184  -6.900  10.843
  316   2HD   LYS  42          2HD       LYS  42  13.404  -5.954  11.757
  317   1HE   LYS  42          1HE       LYS  42  12.633  -7.477  13.226
  318   2HE   LYS  42          2HE       LYS  42  11.869  -6.030  13.821
  319   1HZ   LYS  42          1HZ       LYS  42   9.882  -6.616  13.062
  320   2HZ   LYS  42          2HZ       LYS  42  10.375  -7.801  12.033
  321    H    MET  43           H        MET  43  12.388  -1.160   9.097
  322    HA   MET  43           HA       MET  43  10.976   0.692  10.971
  323   1HB   MET  43          1HB       MET  43  12.298   2.396  10.630
  324   2HB   MET  43          2HB       MET  43  13.305   0.990  10.762
  325   1HG   MET  43          1HG       MET  43  13.764   0.941   8.410
  326   2HG   MET  43          2HG       MET  43  12.808   2.369   8.079
  327   1HE   MET  43          1HE       MET  43  15.800   1.852   7.150
  328   2HE   MET  43          2HE       MET  43  15.489   3.719   6.972
  329   3HE   MET  43          3HE       MET  43  16.882   3.123   7.930
  330    H    ILE  44           H        ILE  44  10.727   0.485   7.421
  331    HA   ILE  44           HA       ILE  44   8.930   2.714   7.104
  332    HB   ILE  44           HB       ILE  44  10.367   1.137   5.148
  333   1HG1  ILE  44          1HG1      ILE  44   9.186   2.735   3.522
  334   2HG1  ILE  44          2HG1      ILE  44   8.096   3.156   4.751
  335   1HG2  ILE  44          1HG2      ILE  44   7.427   0.519   4.573
  336   2HG2  ILE  44          2HG2      ILE  44   8.957   0.266   3.581
  337   3HG2  ILE  44          3HG2      ILE  44   8.581  -0.678   5.156
  338   1HD1  ILE  44          1HD1      ILE  44   9.914   4.413   5.930
  339   2HD1  ILE  44          2HD1      ILE  44  11.054   3.814   4.754
  340   3HD1  ILE  44          3HD1      ILE  44   9.681   4.925   4.296
  341    H    ALA  45           H        ALA  45   8.057  -0.678   7.617
  342    HA   ALA  45           HA       ALA  45   5.259  -0.390   7.735
  343   1HB   ALA  45          1HB       ALA  45   6.837  -2.078   9.712
  344   2HB   ALA  45          2HB       ALA  45   5.105  -2.069   9.509
  345   3HB   ALA  45          3HB       ALA  45   6.149  -2.665   8.233
  346    HA   PRO  46           HA       PRO  46   5.066   1.998  12.162
  347   1HB   PRO  46          1HB       PRO  46   7.928   2.997  12.169
  348   2HB   PRO  46          2HB       PRO  46   6.913   2.576  13.594
  349   1HG   PRO  46          1HG       PRO  46   8.943   0.887  12.497
  350   2HG   PRO  46          2HG       PRO  46   7.670   0.409  13.564
  351   1HD   PRO  46          1HD       PRO  46   8.045   0.093  10.630
  352   2HD   PRO  46          2HD       PRO  46   6.986  -0.959  11.670
  353    H    ILE  47           H        ILE  47   7.207   3.164   9.433
  354    HA   ILE  47           HA       ILE  47   6.268   5.913   9.587
  355    HB   ILE  47           HB       ILE  47   7.868   4.350   7.550
  356   1HG1  ILE  47          1HG1      ILE  47   9.279   4.588   9.336
  357   2HG1  ILE  47          2HG1      ILE  47   9.841   5.635   8.123
  358   1HG2  ILE  47          1HG2      ILE  47   6.796   6.074   6.178
  359   2HG2  ILE  47          2HG2      ILE  47   7.276   7.235   7.345
  360   3HG2  ILE  47          3HG2      ILE  47   8.538   6.430   6.396
  361   1HD1  ILE  47          1HD1      ILE  47   9.877   6.778  10.345
  362   2HD1  ILE  47          2HD1      ILE  47   8.694   7.708   9.273
  363   3HD1  ILE  47          3HD1      ILE  47   8.149   6.647  10.518
  364    H    PHE  48           H        PHE  48   5.380   3.489   7.236
  365    HA   PHE  48           HA       PHE  48   2.996   4.517   6.345
  366   1HB   PHE  48          1HB       PHE  48   4.305   2.507   5.518
  367   2HB   PHE  48          2HB       PHE  48   3.829   1.631   6.873
  368    HD1  PHE  48           1HD      PHE  48   2.646  -0.060   6.179
  369    HD2  PHE  48           2HD      PHE  48   2.073   3.604   3.978
  370    HE1  PHE  48           1HE      PHE  48   1.106  -1.290   4.624
  371    HE2  PHE  48           2HE      PHE  48   0.808   2.437   2.463
  372    HZ   PHE  48           HZ       PHE  48   0.111   0.037   2.808
  373    H    ALA  49           H        ALA  49   3.320   3.100   9.445
  374    HA   ALA  49           HA       ALA  49   0.497   3.070  10.367
  375   1HB   ALA  49          1HB       ALA  49   2.097   1.456  11.211
  376   2HB   ALA  49          2HB       ALA  49   3.033   2.618  11.978
  377   3HB   ALA  49          3HB       ALA  49   1.240   2.291  12.477
  378    H    GLU  50           H        GLU  50   3.278   5.232  11.259
  379    HA   GLU  50           HA       GLU  50   1.637   7.227  12.563
  380   1HB   GLU  50          1HB       GLU  50   3.944   7.167  12.903
  381   2HB   GLU  50          2HB       GLU  50   4.239   7.315  11.069
  382   1HG   GLU  50          1HG       GLU  50   3.452   9.746  11.263
  383   2HG   GLU  50          2HG       GLU  50   2.935   9.436  12.968
  384    HE2  GLU  50           HE       GLU  50   6.402   9.592  13.930
  385    H    LEU  51           H        LEU  51   2.637   7.229   9.093
  386    HA   LEU  51           HA       LEU  51   0.880   9.320   8.282
  387   1HB   LEU  51          1HB       LEU  51   2.709   8.555   6.865
  388   2HB   LEU  51          2HB       LEU  51   2.027   6.962   6.678
  389    HG   LEU  51           HG       LEU  51   1.970   8.569   4.846
  390   1HD1  LEU  51          1HD1      LEU  51  -0.574   6.825   5.356
  391   2HD1  LEU  51          2HD1      LEU  51  -0.028   7.352   3.822
  392   3HD1  LEU  51          3HD1      LEU  51   0.973   6.172   4.740
  393   1HD2  LEU  51          1HD2      LEU  51   0.759  10.420   5.949
  394   2HD2  LEU  51          2HD2      LEU  51   0.002   9.835   4.452
  395   3HD2  LEU  51          3HD2      LEU  51  -0.796   9.474   5.907
  396    H    ALA  52           H        ALA  52   0.019   5.920   8.589
  397    HA   ALA  52           HA       ALA  52  -2.736   6.054   7.754
  398   1HB   ALA  52          1HB       ALA  52  -1.616   3.903   8.097
  399   2HB   ALA  52          2HB       ALA  52  -1.736   4.132   9.924
  400   3HB   ALA  52          3HB       ALA  52  -3.170   3.977   9.013
  401    H    LYS  53           H        LYS  53  -1.393   6.716  10.900
  402    HA   LYS  53           HA       LYS  53  -3.873   7.444  12.339
  403   1HB   LYS  53          1HB       LYS  53  -0.849   7.939  12.988
  404   2HB   LYS  53          2HB       LYS  53  -2.023   8.750  13.860
  405   1HG   LYS  53          1HG       LYS  53  -3.189   6.582  14.537
  406   2HG   LYS  53          2HG       LYS  53  -2.167   5.683  13.551
  407   1HD   LYS  53          1HD       LYS  53  -1.121   7.472  15.807
  408   2HD   LYS  53          2HD       LYS  53  -1.591   5.836  16.124
  409   1HE   LYS  53          1HE       LYS  53   0.191   5.018  14.481
  410   2HE   LYS  53          2HE       LYS  53   0.728   6.663  14.305
  411   1HZ   LYS  53          1HZ       LYS  53   1.213   6.740  16.611
  412   2HZ   LYS  53          2HZ       LYS  53   0.379   5.433  17.011
  413    H    LYS  54           H        LYS  54  -1.740   9.287  10.309
  414    HA   LYS  54           HA       LYS  54  -2.554  12.032  11.062
  415   1HB   LYS  54          1HB       LYS  54  -0.298  11.208  10.186
  416   2HB   LYS  54          2HB       LYS  54  -0.967  10.801   8.637
  417   1HG   LYS  54          1HG       LYS  54  -1.546  13.389   8.381
  418   2HG   LYS  54          2HG       LYS  54  -0.730  13.583  10.023
  419   1HD   LYS  54          1HD       LYS  54   0.729  12.639   7.598
  420   2HD   LYS  54          2HD       LYS  54   0.733  14.411   8.208
  421   1HE   LYS  54          1HE       LYS  54   1.562  13.419  10.370
  422   2HE   LYS  54          2HE       LYS  54   1.840  11.977   9.629
  423   1HZ   LYS  54          1HZ       LYS  54   3.649  13.405   9.650
  424   2HZ   LYS  54          2HZ       LYS  54   3.405  12.695   8.181
  425    H    PHE  55           H        PHE  55  -3.478   9.575   8.788
  426    HA   PHE  55           HA       PHE  55  -5.251  11.304   7.084
  427   1HB   PHE  55          1HB       PHE  55  -2.863   9.599   6.541
  428   2HB   PHE  55          2HB       PHE  55  -4.264   9.403   5.398
  429    HD1  PHE  55           1HD      PHE  55  -5.222  11.659   4.620
  430    HD2  PHE  55           2HD      PHE  55  -1.366  11.602   6.443
  431    HE1  PHE  55           1HE      PHE  55  -4.632  13.832   3.487
  432    HE2  PHE  55           2HE      PHE  55  -0.667  13.483   5.231
  433    HZ   PHE  55           HZ       PHE  55  -2.409  14.824   3.775
  434    HA   PRO  56           HA       PRO  56  -8.284   7.722   8.103
  435   1HB   PRO  56          1HB       PRO  56 -10.484   9.030   8.582
  436   2HB   PRO  56          2HB       PRO  56  -9.268   9.104   9.650
  437   1HG   PRO  56          1HG       PRO  56  -9.838  11.187   7.539
  438   2HG   PRO  56          2HG       PRO  56  -9.389  11.398   9.285
  439   1HD   PRO  56          1HD       PRO  56  -7.610  11.538   7.011
  440   2HD   PRO  56          2HD       PRO  56  -7.158  11.398   8.718
  441    H    ASN  57           H        ASN  57  -7.948   9.383   5.014
  442    HA   ASN  57           HA       ASN  57 -10.623   8.738   3.815
  443   1HB   ASN  57          1HB       ASN  57  -9.692   9.810   1.869
  444   2HB   ASN  57          2HB       ASN  57  -9.985  10.842   3.206
  445   1HD2  ASN  57          1HD2      ASN  57  -8.618  12.261   3.384
  446   2HD2  ASN  57          2HD2      ASN  57  -6.780  12.295   3.069
  447    H    VAL  58           H        VAL  58  -7.971   7.088   4.685
  448    HA   VAL  58           HA       VAL  58  -7.837   5.685   2.113
  449    HB   VAL  58           HB       VAL  58  -6.400   7.607   1.907
  450   1HG1  VAL  58          1HG1      VAL  58  -4.911   7.121   4.593
  451   2HG1  VAL  58          2HG1      VAL  58  -4.665   8.373   3.353
  452   3HG1  VAL  58          3HG1      VAL  58  -6.170   8.419   4.221
  453   1HG2  VAL  58          1HG2      VAL  58  -4.225   6.897   1.572
  454   2HG2  VAL  58          2HG2      VAL  58  -4.350   5.412   2.461
  455   3HG2  VAL  58          3HG2      VAL  58  -5.334   5.634   0.903
  456    H    THR  59           H        THR  59  -7.999   3.620   2.500
  457    HA   THR  59           HA       THR  59  -7.086   1.961   4.834
  458    HB   THR  59           HB       THR  59  -8.012   1.485   1.953
  459    HG1  THR  59           1HG      THR  59  -9.383   1.022   4.479
  460   1HG2  THR  59          1HG2      THR  59  -8.620  -0.689   2.391
  461   2HG2  THR  59          2HG2      THR  59  -6.895  -0.702   2.676
  462   3HG2  THR  59          3HG2      THR  59  -8.062  -0.788   4.051
  463    H    PHE  60           H        PHE  60  -5.577   0.470   4.847
  464    HA   PHE  60           HA       PHE  60  -3.302   0.703   2.994
  465   1HB   PHE  60          1HB       PHE  60  -2.930   0.860   6.078
  466   2HB   PHE  60          2HB       PHE  60  -1.671   0.888   4.955
  467    HD1  PHE  60           1HD      PHE  60  -1.460   2.722   3.160
  468    HD2  PHE  60           2HD      PHE  60  -4.071   3.221   6.507
  469    HE1  PHE  60           1HE      PHE  60  -1.363   5.251   2.925
  470    HE2  PHE  60           2HE      PHE  60  -4.227   5.505   6.135
  471    HZ   PHE  60           HZ       PHE  60  -2.670   6.636   4.484
  472    H    LEU  61           H        LEU  61  -2.398  -0.948   2.580
  473    HA   LEU  61           HA       LEU  61  -2.270  -3.361   4.381
  474   1HB   LEU  61          1HB       LEU  61  -3.528  -4.739   3.191
  475   2HB   LEU  61          2HB       LEU  61  -4.348  -3.216   2.981
  476    HG   LEU  61           HG       LEU  61  -2.837  -3.121   0.751
  477   1HD1  LEU  61          1HD1      LEU  61  -3.413  -6.190   0.954
  478   2HD1  LEU  61          2HD1      LEU  61  -2.873  -5.285  -0.563
  479   3HD1  LEU  61          3HD1      LEU  61  -1.804  -5.408   0.861
  480   1HD2  LEU  61          1HD2      LEU  61  -5.328  -2.855   0.871
  481   2HD2  LEU  61          2HD2      LEU  61  -4.949  -3.945  -0.457
  482   3HD2  LEU  61          3HD2      LEU  61  -5.497  -4.698   1.127
  483    H    LYS  62           H        LYS  62  -0.986  -4.955   3.848
  484    HA   LYS  62           HA       LYS  62   1.355  -4.493   2.009
  485   1HB   LYS  62          1HB       LYS  62   3.010  -5.023   3.854
  486   2HB   LYS  62          2HB       LYS  62   2.187  -3.467   4.106
  487   1HG   LYS  62          1HG       LYS  62   0.803  -4.383   5.757
  488   2HG   LYS  62          2HG       LYS  62   1.314  -5.999   5.701
  489   1HD   LYS  62          1HD       LYS  62   3.770  -5.006   6.169
  490   2HD   LYS  62          2HD       LYS  62   2.714  -3.613   6.807
  491   1HE   LYS  62          1HE       LYS  62   1.468  -5.375   8.259
  492   2HE   LYS  62          2HE       LYS  62   2.668  -6.548   7.864
  493   1HZ   LYS  62          1HZ       LYS  62   3.521  -3.944   8.873
  494   2HZ   LYS  62          2HZ       LYS  62   4.427  -5.279   9.111
  495    H    VAL  63           H        VAL  63   1.210  -5.999   0.977
  496    HA   VAL  63           HA       VAL  63   0.847  -8.822   1.341
  497    HB   VAL  63           HB       VAL  63   1.814  -7.233  -1.069
  498   1HG1  VAL  63          1HG1      VAL  63   1.351  -9.286  -2.506
  499   2HG1  VAL  63          2HG1      VAL  63   2.786  -9.456  -1.459
  500   3HG1  VAL  63          3HG1      VAL  63   1.342 -10.258  -0.934
  501   1HG2  VAL  63          1HG2      VAL  63  -0.688  -7.073  -0.413
  502   2HG2  VAL  63          2HG2      VAL  63  -0.500  -7.941  -1.910
  503   3HG2  VAL  63          3HG2      VAL  63  -0.829  -8.784  -0.383
  504    H    ASP  64           H        ASP  64   2.233 -10.278   2.190
  505    HA   ASP  64           HA       ASP  64   5.051 -10.137   2.166
  506   1HB   ASP  64          1HB       ASP  64   3.907 -11.503   3.648
  507   2HB   ASP  64          2HB       ASP  64   3.160 -12.531   2.528
  508    HD2  ASP  64           HD       ASP  64   6.540 -13.663   4.042
  509    H    VAL  65           H        VAL  65   6.149 -10.004   0.091
  510    HA   VAL  65           HA       VAL  65   5.078 -10.986  -2.344
  511    HB   VAL  65           HB       VAL  65   7.100  -9.281  -1.694
  512   1HG1  VAL  65          1HG1      VAL  65   9.339  -9.877  -2.459
  513   2HG1  VAL  65          2HG1      VAL  65   8.658 -10.874  -1.081
  514   3HG1  VAL  65          3HG1      VAL  65   8.886 -11.696  -2.604
  515   1HG2  VAL  65          1HG2      VAL  65   6.900 -10.775  -4.382
  516   2HG2  VAL  65          2HG2      VAL  65   5.788  -9.396  -3.716
  517   3HG2  VAL  65          3HG2      VAL  65   7.501  -9.262  -4.284
  518    H    ASP  66           H        ASP  66   7.487 -12.807  -0.355
  519    HA   ASP  66           HA       ASP  66   7.975 -15.035  -2.067
  520   1HB   ASP  66          1HB       ASP  66   7.525 -15.268   0.918
  521   2HB   ASP  66          2HB       ASP  66   8.243 -16.454  -0.053
  522    HD2  ASP  66           HD       ASP  66  11.244 -14.817   0.082
  523    H    GLU  67           H        GLU  67   5.214 -14.867   0.063
  524    HA   GLU  67           HA       GLU  67   3.656 -16.918  -0.921
  525   1HB   GLU  67          1HB       GLU  67   3.021 -14.433   0.824
  526   2HB   GLU  67          2HB       GLU  67   1.712 -15.237   0.086
  527   1HG   GLU  67          1HG       GLU  67   1.799 -16.242   2.149
  528   2HG   GLU  67          2HG       GLU  67   2.442 -17.443   1.004
  529    HE2  GLU  67           HE       GLU  67   5.265 -18.096   2.690
  530    H    LEU  68           H        LEU  68   3.543 -13.495  -2.162
  531    HA   LEU  68           HA       LEU  68   1.802 -14.152  -4.654
  532   1HB   LEU  68          1HB       LEU  68   1.710 -11.944  -2.618
  533   2HB   LEU  68          2HB       LEU  68   0.821 -11.815  -4.001
  534    HG   LEU  68           HG       LEU  68   0.213 -13.764  -1.626
  535   1HD1  LEU  68          1HD1      LEU  68  -2.101 -12.545  -1.798
  536   2HD1  LEU  68          2HD1      LEU  68  -0.763 -11.617  -1.166
  537   3HD1  LEU  68          3HD1      LEU  68  -1.291 -11.309  -2.913
  538   1HD2  LEU  68          1HD2      LEU  68  -1.809 -14.631  -3.013
  539   2HD2  LEU  68          2HD2      LEU  68  -1.334 -13.521  -4.280
  540   3HD2  LEU  68          3HD2      LEU  68  -0.175 -14.982  -3.766
  541    H    LYS  69           H        LYS  69   4.158 -14.234  -5.073
  542    HA   LYS  69           HA       LYS  69   5.508 -11.742  -6.018
  543   1HB   LYS  69          1HB       LYS  69   7.144 -13.266  -7.046
  544   2HB   LYS  69          2HB       LYS  69   6.973 -13.281  -5.241
  545   1HG   LYS  69          1HG       LYS  69   5.591 -15.391  -5.583
  546   2HG   LYS  69          2HG       LYS  69   6.007 -15.516  -7.293
  547   1HD   LYS  69          1HD       LYS  69   8.459 -15.423  -6.661
  548   2HD   LYS  69          2HD       LYS  69   8.036 -15.653  -4.909
  549   1HE   LYS  69          1HE       LYS  69   6.663 -17.709  -5.547
  550   2HE   LYS  69          2HE       LYS  69   7.394 -17.500  -7.242
  551   1HZ   LYS  69          1HZ       LYS  69   9.743 -17.990  -5.923
  552   2HZ   LYS  69          2HZ       LYS  69   8.827 -18.134  -4.607
  553    H    ALA  70           H        ALA  70   3.605 -14.190  -7.694
  554    HA   ALA  70           HA       ALA  70   4.248 -13.182 -10.472
  555   1HB   ALA  70          1HB       ALA  70   2.139 -14.774 -10.956
  556   2HB   ALA  70          2HB       ALA  70   3.480 -15.600 -10.134
  557   3HB   ALA  70          3HB       ALA  70   2.164 -15.071  -9.225
  558    H    VAL  71           H        VAL  71   1.679 -12.742  -8.189
  559    HA   VAL  71           HA       VAL  71   0.311 -10.816  -9.868
  560    HB   VAL  71           HB       VAL  71  -1.055 -12.072  -8.168
  561   1HG1  VAL  71          1HG1      VAL  71  -0.917 -11.797  -5.784
  562   2HG1  VAL  71          2HG1      VAL  71   0.791 -11.974  -6.310
  563   3HG1  VAL  71          3HG1      VAL  71   0.263 -10.446  -5.818
  564   1HG2  VAL  71          1HG2      VAL  71  -2.559 -10.197  -7.398
  565   2HG2  VAL  71          2HG2      VAL  71  -1.103  -9.109  -7.747
  566   3HG2  VAL  71          3HG2      VAL  71  -2.085  -9.803  -8.924
  567    H    ALA  72           H        ALA  72   2.357 -10.352  -7.078
  568    HA   ALA  72           HA       ALA  72   2.341  -7.519  -6.963
  569   1HB   ALA  72          1HB       ALA  72   4.540  -7.631  -5.976
  570   2HB   ALA  72          2HB       ALA  72   3.753  -9.107  -5.288
  571   3HB   ALA  72          3HB       ALA  72   4.916  -9.282  -6.566
  572    H    GLU  73           H        GLU  73   4.230  -9.739  -8.986
  573    HA   GLU  73           HA       GLU  73   5.838  -7.782 -10.452
  574   1HB   GLU  73          1HB       GLU  73   4.917 -10.541 -11.032
  575   2HB   GLU  73          2HB       GLU  73   5.711  -9.772 -12.361
  576   1HG   GLU  73          1HG       GLU  73   7.784  -9.462 -10.682
  577   2HG   GLU  73          2HG       GLU  73   6.953 -10.580  -9.660
  578    HE2  GLU  73           HE       GLU  73   8.422 -11.909 -13.161
  579    H    GLU  74           H        GLU  74   2.521  -9.387 -11.068
  580    HA   GLU  74           HA       GLU  74   1.817  -8.076 -13.482
  581   1HB   GLU  74          1HB       GLU  74  -0.161  -8.784 -13.734
  582   2HB   GLU  74          2HB       GLU  74   0.661 -10.031 -12.653
  583   1HG   GLU  74          1HG       GLU  74  -0.850  -9.224 -10.667
  584   2HG   GLU  74          2HG       GLU  74  -1.426  -7.853 -11.582
  585    HE2  GLU  74           HE       GLU  74  -3.234  -8.709 -11.010
  586    H    TRP  75           H        TRP  75   1.137  -6.680 -10.310
  587    HA   TRP  75           HA       TRP  75  -0.213  -4.257 -11.191
  588   1HB   TRP  75          1HB       TRP  75   1.279  -4.309  -8.535
  589   2HB   TRP  75          2HB       TRP  75   0.146  -3.185  -9.094
  590    HD1  TRP  75           HD       TRP  75   0.494  -5.810  -6.923
  591    HE1  TRP  75           1HE      TRP  75  -1.545  -7.546  -6.632
  592    HE3  TRP  75           3HE      TRP  75  -2.299  -4.833 -10.934
  593    HZ2  TRP  75           2HZ      TRP  75  -3.722  -8.138  -7.511
  594    HZ3  TRP  75           3HZ      TRP  75  -4.159  -6.199 -11.403
  595    HH2  TRP  75           HH       TRP  75  -5.001  -7.829  -9.729
  596    H    ASN  76           H        ASN  76   3.143  -5.031 -10.318
  597    HA   ASN  76           HA       ASN  76   4.558  -4.752 -11.938
  598   1HB   ASN  76          1HB       ASN  76   3.607  -2.649 -13.186
  599   2HB   ASN  76          2HB       ASN  76   4.393  -1.623 -11.868
  600   1HD2  ASN  76          1HD2      ASN  76   6.746  -1.677 -12.177
  601   2HD2  ASN  76          2HD2      ASN  76   7.547  -2.516 -13.626
  602    H    VAL  77           H        VAL  77   5.451  -5.685 -10.468
  603    HA   VAL  77           HA       VAL  77   7.377  -4.191  -8.683
  604    HB   VAL  77           HB       VAL  77   5.813  -6.542  -7.430
  605   1HG1  VAL  77          1HG1      VAL  77   8.199  -6.038  -6.458
  606   2HG1  VAL  77          2HG1      VAL  77   7.425  -4.454  -6.032
  607   3HG1  VAL  77          3HG1      VAL  77   6.801  -6.049  -5.342
  608   1HG2  VAL  77          1HG2      VAL  77   4.693  -4.854  -5.972
  609   2HG2  VAL  77          2HG2      VAL  77   5.287  -3.536  -6.967
  610   3HG2  VAL  77          3HG2      VAL  77   4.075  -4.739  -7.563
  611    H    GLU  78           H        GLU  78   9.044  -4.885  -9.969
  612    HA   GLU  78           HA       GLU  78  10.063  -7.705  -9.501
  613   1HB   GLU  78          1HB       GLU  78  11.786  -7.270 -11.345
  614   2HB   GLU  78          2HB       GLU  78  10.299  -7.166 -11.968
  615   1HG   GLU  78          1HG       GLU  78  11.778  -5.590 -12.734
  616   2HG   GLU  78          2HG       GLU  78  10.252  -4.827 -12.297
  617    HE2  GLU  78           HE       GLU  78  10.274  -3.228 -11.029
  618    H    ALA  79           H        ALA  79   9.977  -5.150  -7.782
  619    HA   ALA  79           HA       ALA  79  12.562  -5.477  -6.552
  620   1HB   ALA  79          1HB       ALA  79  12.918  -2.744  -6.313
  621   2HB   ALA  79          2HB       ALA  79  13.089  -3.528  -7.934
  622   3HB   ALA  79          3HB       ALA  79  11.549  -2.829  -7.456
  623    H    MET  80           H        MET  80  12.708  -5.251  -4.670
  624    HA   MET  80           HA       MET  80  10.615  -4.567  -2.617
  625   1HB   MET  80          1HB       MET  80  13.467  -5.651  -2.305
  626   2HB   MET  80          2HB       MET  80  12.630  -4.937  -0.988
  627   1HG   MET  80          1HG       MET  80  12.351  -7.469  -1.515
  628   2HG   MET  80          2HG       MET  80  10.855  -6.697  -0.766
  629   1HE   MET  80          1HE       MET  80   8.835  -5.728  -2.382
  630   2HE   MET  80          2HE       MET  80   8.706  -6.748  -3.899
  631   3HE   MET  80          3HE       MET  80   8.366  -7.493  -2.320
  632    HA   PRO  81           HA       PRO  81   9.435  -3.063  -2.512
  633   1HB   PRO  81          1HB       PRO  81   9.227  -1.885  -0.025
  634   2HB   PRO  81          2HB       PRO  81  10.338  -3.177  -0.222
  635   1HG   PRO  81          2HG       PRO  81  10.773  -0.067  -0.020
  636   2HG   PRO  81          1HG       PRO  81  11.838  -1.491   0.598
  637   1HD   PRO  81          1HD       PRO  81  11.991   0.058  -1.946
  638   2HD   PRO  81          2HD       PRO  81  13.138  -1.075  -1.181
  639    H    THR  82           H        THR  82   8.004  -2.446  -2.884
  640    HA   THR  82           HA       THR  82   7.542   0.304  -4.102
  641    HB   THR  82           HB       THR  82   6.423  -2.607  -4.824
  642    HG1  THR  82           1HG      THR  82   8.648  -2.596  -5.346
  643   1HG2  THR  82          1HG2      THR  82   6.248  -1.178  -7.204
  644   2HG2  THR  82          2HG2      THR  82   5.209  -0.424  -5.995
  645   3HG2  THR  82          3HG2      THR  82   6.705   0.352  -6.316
  646    H    PHE  83           H        PHE  83   5.880   1.228  -3.791
  647    HA   PHE  83           HA       PHE  83   3.421   0.531  -2.413
  648   1HB   PHE  83          1HB       PHE  83   4.765   3.370  -2.443
  649   2HB   PHE  83          2HB       PHE  83   3.075   2.748  -2.070
  650    HD1  PHE  83           1HD      PHE  83   6.791   2.547  -1.374
  651    HD2  PHE  83           2HD      PHE  83   2.851   2.016   0.311
  652    HE1  PHE  83           1HE      PHE  83   7.799   2.119   0.832
  653    HE2  PHE  83           2HE      PHE  83   3.803   1.862   2.557
  654    HZ   PHE  83           HZ       PHE  83   6.397   1.922   2.842
  655    H    ILE  84           H        ILE  84   1.847   0.703  -3.423
  656    HA   ILE  84           HA       ILE  84   1.474   1.609  -6.334
  657    HB   ILE  84           HB       ILE  84   0.739  -1.207  -5.240
  658   1HG1  ILE  84          1HG1      ILE  84   1.697  -0.786  -8.037
  659   2HG1  ILE  84          2HG1      ILE  84   2.790   0.125  -6.991
  660   1HG2  ILE  84          1HG2      ILE  84  -0.482  -0.067  -7.767
  661   2HG2  ILE  84          2HG2      ILE  84  -0.547  -1.800  -7.041
  662   3HG2  ILE  84          3HG2      ILE  84  -1.323  -0.461  -6.283
  663   1HD1  ILE  84          1HD1      ILE  84   3.387  -2.010  -5.710
  664   2HD1  ILE  84          2HD1      ILE  84   2.114  -2.842  -6.654
  665   3HD1  ILE  84          3HD1      ILE  84   3.470  -2.094  -7.453
  666    H    PHE  85           H        PHE  85  -0.299   2.649  -6.582
  667    HA   PHE  85           HA       PHE  85  -1.957   3.466  -4.172
  668   1HB   PHE  85          1HB       PHE  85  -0.915   5.389  -6.388
  669   2HB   PHE  85          2HB       PHE  85  -1.766   5.788  -4.959
  670    HD1  PHE  85           1HD      PHE  85   1.740   4.658  -5.944
  671    HD2  PHE  85           2HD      PHE  85  -0.936   5.850  -2.804
  672    HE1  PHE  85           1HE      PHE  85   3.588   5.043  -4.471
  673    HE2  PHE  85           2HE      PHE  85   1.007   6.272  -1.359
  674    HZ   PHE  85           HZ       PHE  85   3.343   5.695  -2.312
  675    H    LEU  86           H        LEU  86  -4.186   2.904  -4.681
  676    HA   LEU  86           HA       LEU  86  -5.290   3.332  -7.466
  677   1HB   LEU  86          1HB       LEU  86  -4.167   1.053  -6.643
  678   2HB   LEU  86          2HB       LEU  86  -5.273   0.950  -5.400
  679    HG   LEU  86           HG       LEU  86  -6.006  -0.644  -6.905
  680   1HD1  LEU  86          1HD1      LEU  86  -8.237  -0.382  -7.323
  681   2HD1  LEU  86          2HD1      LEU  86  -7.889   0.869  -6.166
  682   3HD1  LEU  86          3HD1      LEU  86  -8.005   1.421  -7.760
  683   1HD2  LEU  86          1HD2      LEU  86  -6.072  -0.744  -9.327
  684   2HD2  LEU  86          2HD2      LEU  86  -6.073   0.890  -9.446
  685   3HD2  LEU  86          3HD2      LEU  86  -4.616   0.107  -8.870
  686    H    LYS  87           H        LYS  87  -6.967   4.402  -7.232
  687    HA   LYS  87           HA       LYS  87  -8.735   4.945  -4.817
  688   1HB   LYS  87          1HB       LYS  87  -7.305   6.657  -6.131
  689   2HB   LYS  87          2HB       LYS  87  -8.276   6.595  -7.483
  690   1HG   LYS  87          1HG       LYS  87 -10.044   7.692  -6.444
  691   2HG   LYS  87          2HG       LYS  87  -9.763   7.038  -4.809
  692   1HD   LYS  87          1HD       LYS  87  -7.731   8.422  -4.681
  693   2HD   LYS  87          2HD       LYS  87  -8.070   9.250  -6.155
  694   1HE   LYS  87          1HE       LYS  87 -10.150  10.128  -5.406
  695   2HE   LYS  87          2HE       LYS  87  -9.985   9.276  -3.926
  696   1HZ   LYS  87          1HZ       LYS  87  -9.197  11.480  -3.578
  697   2HZ   LYS  87          2HZ       LYS  87  -7.917  10.486  -3.541
  698    H    ASP  88           H        ASP  88 -11.075   4.992  -5.118
  699    HA   ASP  88           HA       ASP  88 -12.609   3.561  -6.959
  700   1HB   ASP  88          1HB       ASP  88 -14.314   4.813  -6.410
  701   2HB   ASP  88          2HB       ASP  88 -13.475   4.936  -4.954
  702    HD2  ASP  88           HD       ASP  88 -12.602   8.394  -5.390
  703    H    GLY  89           H        GLY  89 -10.577   4.760  -8.600
  704   1HA   GLY  89          1HA       GLY  89 -11.975   5.697 -11.004
  705   2HA   GLY  89          2HA       GLY  89 -10.953   6.982 -10.295
  706    H    LYS  90           H        LYS  90  -9.903   3.689  -9.885
  707    HA   LYS  90           HA       LYS  90  -8.539   2.103 -10.998
  708   1HB   LYS  90          1HB       LYS  90  -8.540   4.009 -13.365
  709   2HB   LYS  90          2HB       LYS  90  -7.507   2.717 -13.240
  710   1HG   LYS  90          1HG       LYS  90  -9.158   2.417 -14.747
  711   2HG   LYS  90          2HG       LYS  90  -9.492   1.201 -13.440
  712   1HD   LYS  90          1HD       LYS  90 -11.192   3.808 -13.925
  713   2HD   LYS  90          2HD       LYS  90 -11.403   2.376 -14.610
  714   1HE   LYS  90          1HE       LYS  90 -11.927   1.029 -12.660
  715   2HE   LYS  90          2HE       LYS  90 -11.416   2.288 -11.609
  716   1HZ   LYS  90          1HZ       LYS  90 -12.848   3.889 -12.797
  717   2HZ   LYS  90          2HZ       LYS  90 -13.618   2.995 -11.640
  718    H    LEU  91           H        LEU  91  -6.222   2.293 -11.781
  719    HA   LEU  91           HA       LEU  91  -4.551   3.049  -9.743
  720   1HB   LEU  91          1HB       LEU  91  -4.009   1.395 -11.495
  721   2HB   LEU  91          2HB       LEU  91  -3.641   2.668 -12.614
  722    HG   LEU  91           HG       LEU  91  -1.864   3.298 -10.979
  723   1HD1  LEU  91          1HD1      LEU  91  -2.797   1.982  -8.921
  724   2HD1  LEU  91          2HD1      LEU  91  -2.130   0.494  -9.922
  725   3HD1  LEU  91          3HD1      LEU  91  -1.075   1.908  -9.225
  726   1HD2  LEU  91          1HD2      LEU  91  -0.272   1.534 -11.679
  727   2HD2  LEU  91          2HD2      LEU  91  -1.606   0.806 -12.612
  728   3HD2  LEU  91          3HD2      LEU  91  -1.094   2.451 -12.969
  729    H    VAL  92           H        VAL  92  -4.416   4.943  -9.035
  730    HA   VAL  92           HA       VAL  92  -3.964   7.508 -10.526
  731    HB   VAL  92           HB       VAL  92  -3.723   8.568  -8.545
  732   1HG1  VAL  92          1HG1      VAL  92  -6.186   6.724  -8.503
  733   2HG1  VAL  92          2HG1      VAL  92  -6.060   8.219  -7.421
  734   3HG1  VAL  92          3HG1      VAL  92  -6.053   8.282  -9.078
  735   1HG2  VAL  92          1HG2      VAL  92  -4.143   6.056  -6.778
  736   2HG2  VAL  92          2HG2      VAL  92  -2.569   6.961  -6.769
  737   3HG2  VAL  92          3HG2      VAL  92  -4.059   7.696  -6.275
  738    H    ASP  93           H        ASP  93  -1.602   5.472  -8.541
  739    HA   ASP  93           HA       ASP  93   0.666   6.410 -10.110
  740   1HB   ASP  93          1HB       ASP  93  -0.217   8.315  -8.120
  741   2HB   ASP  93          2HB       ASP  93   0.960   7.310  -7.202
  742    HD2  ASP  93           HD       ASP  93   0.228   9.322  -9.840
  743    H    LYS  94           H        LYS  94   2.814   5.956  -9.046
  744    HA   LYS  94           HA       LYS  94   3.088   3.307  -7.869
  745   1HB   LYS  94          1HB       LYS  94   4.336   2.346  -9.806
  746   2HB   LYS  94          2HB       LYS  94   2.588   2.346  -9.937
  747   1HG   LYS  94          1HG       LYS  94   4.140   4.589 -11.319
  748   2HG   LYS  94          2HG       LYS  94   4.243   2.920 -12.011
  749   1HD   LYS  94          1HD       LYS  94   1.833   2.783 -12.126
  750   2HD   LYS  94          2HD       LYS  94   1.753   4.432 -11.530
  751   1HE   LYS  94          1HE       LYS  94   2.953   3.689 -14.207
  752   2HE   LYS  94          2HE       LYS  94   1.369   4.373 -13.877
  753   1HZ   LYS  94          1HZ       LYS  94   3.880   5.738 -13.632
  754   2HZ   LYS  94          2HZ       LYS  94   2.473   6.438 -13.086
  755    H    THR  95           H        THR  95   5.117   3.308  -6.796
  756    HA   THR  95           HA       THR  95   7.452   4.787  -7.686
  757    HB   THR  95           HB       THR  95   6.045   5.867  -5.223
  758    HG1  THR  95           1HG      THR  95   5.624   6.447  -7.621
  759   1HG2  THR  95          1HG2      THR  95   8.174   7.480  -5.196
  760   2HG2  THR  95          2HG2      THR  95   8.726   5.779  -5.024
  761   3HG2  THR  95          3HG2      THR  95   8.667   6.538  -6.711
  762    H    VAL  96           H        VAL  96   9.111   4.121  -6.403
  763    HA   VAL  96           HA       VAL  96   8.976   1.553  -4.700
  764    HB   VAL  96           HB       VAL  96   8.980   0.643  -6.802
  765   1HG1  VAL  96          1HG1      VAL  96  11.295   2.346  -7.910
  766   2HG1  VAL  96          2HG1      VAL  96  10.162   1.228  -8.742
  767   3HG1  VAL  96          3HG1      VAL  96   9.600   2.783  -8.101
  768   1HG2  VAL  96          1HG2      VAL  96  11.944   0.426  -6.306
  769   2HG2  VAL  96          2HG2      VAL  96  10.830  -0.339  -5.252
  770   3HG2  VAL  96          3HG2      VAL  96  10.963  -0.821  -6.981
  771    H    GLY  97           H        GLY  97   9.989   2.160  -2.952
  772   1HA   GLY  97          1HA       GLY  97  12.570   2.818  -2.626
  773   2HA   GLY  97          2HA       GLY  97  11.824   4.535  -2.764
  774    H    ALA  98           H        ALA  98  13.126   4.279  -0.660
  775    HA   ALA  98           HA       ALA  98  11.292   3.825   1.617
  776   1HB   ALA  98          1HB       ALA  98  14.228   2.952   1.210
  777   2HB   ALA  98          2HB       ALA  98  13.605   3.051   2.856
  778   3HB   ALA  98          3HB       ALA  98  12.803   2.041   1.734
  779    H    ASP  99           H        ASP  99  10.984   5.606   2.649
  780    HA   ASP  99           HA       ASP  99  13.153   7.198   3.819
  781   1HB   ASP  99          1HB       ASP  99  12.998   8.240   1.296
  782   2HB   ASP  99          2HB       ASP  99  11.290   8.561   1.701
  783    HD2  ASP  99           HD       ASP  99  12.563  11.696   2.322
  784    H    LYS 100           H        LYS 100  12.608   8.060   5.598
  785    HA   LYS 100           HA       LYS 100  10.192   7.750   7.067
  786   1HB   LYS 100          1HB       LYS 100  10.882   9.121   8.673
  787   2HB   LYS 100          2HB       LYS 100  12.335   8.183   8.068
  788   1HG   LYS 100          1HG       LYS 100  13.000  10.331   6.769
  789   2HG   LYS 100          2HG       LYS 100  11.717  11.185   7.663
  790   1HD   LYS 100          1HD       LYS 100  12.824  10.694   9.825
  791   2HD   LYS 100          2HD       LYS 100  14.021   9.672   9.068
  792   1HE   LYS 100          1HE       LYS 100  14.937  11.725   7.743
  793   2HE   LYS 100          2HE       LYS 100  13.678  12.706   8.541
  794   1HZ   LYS 100          1HZ       LYS 100  14.693  12.249  10.649
  795   2HZ   LYS 100          2HZ       LYS 100  15.552  11.050  10.123
  796    H    ASP 101           H        ASP 101  11.005  10.887   5.340
  797    HA   ASP 101           HA       ASP 101   8.330  12.096   5.589
  798   1HB   ASP 101          1HB       ASP 101   9.276  14.042   4.628
  799   2HB   ASP 101          2HB       ASP 101  10.324  13.655   6.027
  800    HD2  ASP 101           HD       ASP 101  13.213  12.871   4.178
  801    H    GLY 102           H        GLY 102  10.014  10.614   3.013
  802   1HA   GLY 102          1HA       GLY 102   8.846  11.590   0.587
  803   2HA   GLY 102          2HA       GLY 102   9.474  10.037   0.707
  804    H    LEU 103           H        LEU 103   7.833   8.359   1.918
  805    HA   LEU 103           HA       LEU 103   5.194   8.193   0.915
  806   1HB   LEU 103          1HB       LEU 103   6.527   6.421   2.054
  807   2HB   LEU 103          2HB       LEU 103   6.397   7.170   3.660
  808    HG   LEU 103           HG       LEU 103   3.980   6.741   3.687
  809   1HD1  LEU 103          1HD1      LEU 103   2.712   5.453   1.905
  810   2HD1  LEU 103          2HD1      LEU 103   3.390   6.909   1.178
  811   3HD1  LEU 103          3HD1      LEU 103   4.196   5.456   0.881
  812   1HD2  LEU 103          1HD2      LEU 103   5.930   4.504   3.207
  813   2HD2  LEU 103          2HD2      LEU 103   5.417   5.174   4.608
  814   3HD2  LEU 103          3HD2      LEU 103   4.284   4.098   3.701
  815    HA   PRO 104           HA       PRO 104   2.839  10.961   4.165
  816   1HB   PRO 104          1HB       PRO 104   5.133  12.732   5.049
  817   2HB   PRO 104          2HB       PRO 104   3.722  12.265   5.892
  818   1HG   PRO 104          1HG       PRO 104   6.195  11.249   6.321
  819   2HG   PRO 104          2HG       PRO 104   4.709  10.405   6.854
  820   1HD   PRO 104          1HD       PRO 104   6.645   9.796   4.421
  821   2HD   PRO 104          2HD       PRO 104   5.241   8.754   5.132
  822    H    THR 105           H        THR 105   5.483  12.190   2.320
  823    HA   THR 105           HA       THR 105   4.422  14.765   1.283
  824    HB   THR 105           HB       THR 105   6.993  13.216   0.539
  825    HG1  THR 105           1HG      THR 105   6.730  13.982   2.760
  826   1HG2  THR 105          1HG2      THR 105   7.734  15.559  -0.438
  827   2HG2  THR 105          2HG2      THR 105   6.433  14.780  -1.281
  828   3HG2  THR 105          3HG2      THR 105   6.036  16.130  -0.162
  829    H    LEU 106           H        LEU 106   5.217  11.747  -0.639
  830    HA   LEU 106           HA       LEU 106   3.552  11.881  -2.826
  831   1HB   LEU 106          1HB       LEU 106   5.462  10.215  -2.078
  832   2HB   LEU 106          2HB       LEU 106   4.253   9.366  -1.212
  833    HG   LEU 106           HG       LEU 106   3.010   8.727  -3.184
  834   1HD1  LEU 106          1HD1      LEU 106   3.981   9.107  -5.553
  835   2HD1  LEU 106          2HD1      LEU 106   3.241  10.579  -4.697
  836   3HD1  LEU 106          3HD1      LEU 106   5.008  10.286  -4.945
  837   1HD2  LEU 106          1HD2      LEU 106   4.482   7.282  -4.301
  838   2HD2  LEU 106          2HD2      LEU 106   5.963   8.090  -3.680
  839   3HD2  LEU 106          3HD2      LEU 106   4.928   7.161  -2.613
  840    H    VAL 107           H        VAL 107   2.506  10.433   0.103
  841    HA   VAL 107           HA       VAL 107  -0.368  10.066  -0.761
  842    HB   VAL 107           HB       VAL 107   0.896   9.935   1.989
  843   1HG1  VAL 107          1HG1      VAL 107  -1.740  10.327   2.242
  844   2HG1  VAL 107          2HG1      VAL 107  -1.830   8.858   1.284
  845   3HG1  VAL 107          3HG1      VAL 107  -1.162   9.047   2.898
  846   1HG2  VAL 107          1HG2      VAL 107   0.326   7.315   1.589
  847   2HG2  VAL 107          2HG2      VAL 107  -0.154   7.844   0.008
  848   3HG2  VAL 107          3HG2      VAL 107   1.514   7.957   0.457
  849    H    ALA 108           H        ALA 108   1.045  12.677   1.386
  850    HA   ALA 108           HA       ALA 108  -1.287  14.246   1.654
  851   1HB   ALA 108          1HB       ALA 108   0.214  16.220   1.377
  852   2HB   ALA 108          2HB       ALA 108   0.675  15.007   2.604
  853   3HB   ALA 108          3HB       ALA 108   1.600  15.133   1.027
  854    H    LYS 109           H        LYS 109   0.774  14.239  -1.162
  855    HA   LYS 109           HA       LYS 109  -0.577  16.099  -2.876
  856   1HB   LYS 109          1HB       LYS 109   1.260  13.818  -3.849
  857   2HB   LYS 109          2HB       LYS 109   0.701  15.163  -4.813
  858   1HG   LYS 109          1HG       LYS 109   1.643  16.898  -3.519
  859   2HG   LYS 109          2HG       LYS 109   2.338  15.717  -2.287
  860   1HD   LYS 109          1HD       LYS 109   3.689  14.695  -4.205
  861   2HD   LYS 109          2HD       LYS 109   3.125  16.036  -5.236
  862   1HE   LYS 109          1HE       LYS 109   4.511  17.641  -3.922
  863   2HE   LYS 109          2HE       LYS 109   4.440  16.653  -2.575
  864   1HZ   LYS 109          1HZ       LYS 109   6.475  16.902  -3.806
  865   2HZ   LYS 109          2HZ       LYS 109   6.228  15.386  -3.270
  866    H    HIS 110           H        HIS 110  -1.018  12.509  -2.620
  867    HA   HIS 110           HA       HIS 110  -2.932  12.166  -4.748
  868   1HB   HIS 110          1HB       HIS 110  -2.082  10.139  -2.585
  869   2HB   HIS 110          2HB       HIS 110  -3.075   9.884  -3.813
  870    HD1  HIS 110           1HD      HIS 110  -1.125  11.664  -6.147
  871    HD2  HIS 110           2HD      HIS 110  -0.284   8.423  -3.527
  872    HE1  HIS 110           1HE      HIS 110   1.132  10.704  -6.748
  873    H    ALA 111           H        ALA 111  -3.173  11.947  -1.155
  874    HA   ALA 111           HA       ALA 111  -5.956  11.726  -0.881
  875   1HB   ALA 111          1HB       ALA 111  -5.534  12.140   1.593
  876   2HB   ALA 111          2HB       ALA 111  -4.190  11.240   0.901
  877   3HB   ALA 111          3HB       ALA 111  -4.049  13.022   1.195
  878    H    THR 112           H        THR 112  -4.399  14.853  -1.212
  879    HA   THR 112           HA       THR 112  -6.772  16.460  -0.576
  880    HB   THR 112           HB       THR 112  -4.318  17.288  -2.060
  881    HG1  THR 112           1HG      THR 112  -3.940  16.449   0.042
  882   1HG2  THR 112          1HG2      THR 112  -6.430  18.996  -1.946
  883   2HG2  THR 112          2HG2      THR 112  -5.927  19.327  -0.270
  884   3HG2  THR 112          3HG2      THR 112  -4.849  19.662  -1.654
  885    H    ALA 113           H        ALA 113  -5.506  16.575  -4.026
  886    HA   ALA 113           HA       ALA 113  -8.105  16.853  -5.297
  887   1HB   ALA 113          1HB       ALA 113  -5.789  15.482  -6.485
  888   2HB   ALA 113          2HB       ALA 113  -7.144  16.073  -7.343
  889   3HB   ALA 113          3HB       ALA 113  -6.139  17.311  -6.460
  890    HXT  ALA 113           HO       ALA 113  -7.931  12.925  -5.428
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1 -14.495   7.075  16.966
    2   2H    ALA   1          2H        ALA   1 -13.329   7.772  17.771
    3    HA   ALA   1           HA       ALA   1 -11.626   7.025  16.365
    4   1HB   ALA   1          1HB       ALA   1 -11.646   4.636  16.471
    5   2HB   ALA   1          2HB       ALA   1 -12.528   5.159  17.971
    6   3HB   ALA   1          3HB       ALA   1 -13.343   4.433  16.613
    7    H    GLU   2           H        GLU   2 -10.987   7.341  14.592
    8    HA   GLU   2           HA       GLU   2 -12.155   6.364  12.057
    9   1HB   GLU   2          1HB       GLU   2 -13.724   8.332  12.597
   10   2HB   GLU   2          2HB       GLU   2 -12.427   9.389  12.357
   11   1HG   GLU   2          1HG       GLU   2 -11.965   8.448  10.010
   12   2HG   GLU   2          2HG       GLU   2 -13.534   7.679  10.055
   13    HE2  GLU   2           HE       GLU   2 -15.018  10.385   8.712
   14    H    GLU   3           H        GLU   3 -10.424   5.759  11.360
   15    HA   GLU   3           HA       GLU   3  -8.085   7.403  10.640
   16   1HB   GLU   3          1HB       GLU   3  -6.287   6.749  11.944
   17   2HB   GLU   3          2HB       GLU   3  -7.551   7.243  13.059
   18   1HG   GLU   3          1HG       GLU   3  -8.395   4.941  13.577
   19   2HG   GLU   3          2HG       GLU   3  -7.089   4.234  12.726
   20    HE2  GLU   3           HE       GLU   3  -6.088   6.295  16.048
   21    H    GLY   4           H        GLY   4  -6.469   6.293   9.888
   22   1HA   GLY   4          1HA       GLY   4  -6.913   4.219   7.794
   23   2HA   GLY   4          2HA       GLY   4  -5.449   5.100   8.046
   24    H    GLN   5           H        GLN   5  -5.643   2.324   7.668
   25    HA   GLN   5           HA       GLN   5  -4.470   1.196  10.125
   26   1HB   GLN   5          1HB       GLN   5  -6.039  -0.228  10.699
   27   2HB   GLN   5          2HB       GLN   5  -7.067   1.111  10.149
   28   1HG   GLN   5          1HG       GLN   5  -7.462  -0.187   8.041
   29   2HG   GLN   5          2HG       GLN   5  -6.429  -1.545   8.703
   30   1HE2  GLN   5          1HE2      GLN   5  -7.672  -3.011   9.866
   31   2HE2  GLN   5          2HE2      GLN   5  -9.328  -2.600  10.488
   32    H    VAL   6           H        VAL   6  -2.800   0.023   9.591
   33    HA   VAL   6           HA       VAL   6  -2.323  -1.094   6.846
   34    HB   VAL   6           HB       VAL   6  -0.446  -1.035   9.188
   35   1HG1  VAL   6          1HG1      VAL   6   1.334  -1.068   7.524
   36   2HG1  VAL   6          2HG1      VAL   6   0.342  -2.505   7.368
   37   3HG1  VAL   6          3HG1      VAL   6   0.181  -1.230   6.182
   38   1HG2  VAL   6          1HG2      VAL   6  -0.530   1.249   7.366
   39   2HG2  VAL   6          2HG2      VAL   6  -1.141   1.297   9.032
   40   3HG2  VAL   6          3HG2      VAL   6   0.603   1.102   8.699
   41    H    ILE   7           H        ILE   7  -2.998  -3.011   6.667
   42    HA   ILE   7           HA       ILE   7  -3.383  -5.001   8.822
   43    HB   ILE   7           HB       ILE   7  -5.321  -3.948   7.982
   44   1HG1  ILE   7          1HG1      ILE   7  -5.843  -6.029   9.373
   45   2HG1  ILE   7          2HG1      ILE   7  -6.868  -5.851   7.974
   46   1HG2  ILE   7          1HG2      ILE   7  -4.759  -4.064   5.375
   47   2HG2  ILE   7          2HG2      ILE   7  -5.372  -5.672   5.542
   48   3HG2  ILE   7          3HG2      ILE   7  -6.358  -4.368   5.977
   49   1HD1  ILE   7          1HD1      ILE   7  -5.191  -7.428   6.695
   50   2HD1  ILE   7          2HD1      ILE   7  -4.528  -7.735   8.288
   51   3HD1  ILE   7          3HD1      ILE   7  -6.232  -8.127   7.881
   52    H    ALA   8           H        ALA   8  -1.963  -6.510   8.698
   53    HA   ALA   8           HA       ALA   8  -0.218  -7.478   6.662
   54   1HB   ALA   8          1HB       ALA   8  -0.048  -9.341   8.347
   55   2HB   ALA   8          2HB       ALA   8  -0.218  -7.851   9.188
   56   3HB   ALA   8          3HB       ALA   8  -1.563  -8.982   8.975
   57    H    CYS   9           H        CYS   9  -0.326  -8.577   4.845
   58    HA   CYS   9           HA       CYS   9  -2.698 -10.310   4.178
   59   1HB   CYS   9          1HB       CYS   9  -1.351  -8.203   2.358
   60   2HB   CYS   9          2HB       CYS   9  -2.596  -9.284   1.946
   61    HG   CYS   9           HG       CYS   9  -4.409  -8.681   3.470
   62    H    HIS  10           H        HIS  10  -2.435 -11.920   2.526
   63    HA   HIS  10           HA       HIS  10   0.301 -12.918   1.960
   64   1HB   HIS  10          1HB       HIS  10  -1.645 -14.226   3.992
   65   2HB   HIS  10          2HB       HIS  10  -0.415 -15.193   3.326
   66    HD1  HIS  10           1HD      HIS  10   2.233 -14.624   3.909
   67    HD2  HIS  10           2HD      HIS  10  -0.792 -12.412   5.777
   68    HE1  HIS  10           1HE      HIS  10   3.354 -12.866   5.675
   69    H    THR  11           H        THR  11  -2.992 -12.940   0.966
   70    HA   THR  11           HA       THR  11  -2.785 -15.532  -0.565
   71    HB   THR  11           HB       THR  11  -4.903 -16.399   0.635
   72    HG1  THR  11           1HG      THR  11  -5.100 -15.723   2.840
   73   1HG2  THR  11          1HG2      THR  11  -2.490 -17.449   0.987
   74   2HG2  THR  11          2HG2      THR  11  -2.342 -16.427   2.386
   75   3HG2  THR  11          3HG2      THR  11  -3.516 -17.608   2.389
   76    H    VAL  12           H        VAL  12  -5.227 -16.057  -1.597
   77    HA   VAL  12           HA       VAL  12  -5.982 -13.828  -3.114
   78    HB   VAL  12           HB       VAL  12  -6.248 -15.806  -4.025
   79   1HG1  VAL  12          1HG1      VAL  12  -8.582 -16.471  -2.028
   80   2HG1  VAL  12          2HG1      VAL  12  -8.015 -17.471  -3.383
   81   3HG1  VAL  12          3HG1      VAL  12  -6.979 -17.242  -2.012
   82   1HG2  VAL  12          1HG2      VAL  12  -7.727 -14.079  -4.891
   83   2HG2  VAL  12          2HG2      VAL  12  -8.380 -15.781  -5.120
   84   3HG2  VAL  12          3HG2      VAL  12  -9.018 -14.590  -3.936
   85    H    ASP  13           H        ASP  13  -6.770 -14.367  -0.020
   86    HA   ASP  13           HA       ASP  13  -9.327 -12.937   0.421
   87   1HB   ASP  13          1HB       ASP  13  -7.252 -13.201   2.653
   88   2HB   ASP  13          2HB       ASP  13  -8.941 -12.689   2.682
   89    HD2  ASP  13           HD       ASP  13  -6.665 -15.280   2.827
   90    H    THR  14           H        THR  14  -5.933 -11.878   0.579
   91    HA   THR  14           HA       THR  14  -6.617  -9.115   0.740
   92    HB   THR  14           HB       THR  14  -4.427 -10.093   1.151
   93    HG1  THR  14           1HG      THR  14  -3.736  -7.987   1.161
   94   1HG2  THR  14          1HG2      THR  14  -3.787 -10.982  -1.080
   95   2HG2  THR  14          2HG2      THR  14  -4.058  -9.317  -1.764
   96   3HG2  THR  14          3HG2      THR  14  -2.741  -9.685  -0.629
   97    H    TRP  15           H        TRP  15  -6.700 -11.176  -2.002
   98    HA   TRP  15           HA       TRP  15  -7.079  -9.071  -3.985
   99   1HB   TRP  15          1HB       TRP  15  -7.258 -12.069  -4.069
  100   2HB   TRP  15          2HB       TRP  15  -8.461 -11.325  -4.999
  101    HD1  TRP  15           HD       TRP  15  -4.878 -12.109  -5.023
  102    HE1  TRP  15           1HE      TRP  15  -3.670 -11.248  -7.003
  103    HE3  TRP  15           3HE      TRP  15  -8.584  -9.291  -6.882
  104    HZ2  TRP  15           2HZ      TRP  15  -4.398 -10.055  -9.502
  105    HZ3  TRP  15           3HZ      TRP  15  -7.966  -7.824  -8.927
  106    HH2  TRP  15           HH       TRP  15  -6.104  -8.208 -10.134
  107    H    LYS  16           H        LYS  16  -9.279 -10.818  -1.919
  108    HA   LYS  16           HA       LYS  16 -11.714  -9.315  -2.806
  109   1HB   LYS  16          1HB       LYS  16 -11.184 -10.446  -0.104
  110   2HB   LYS  16          2HB       LYS  16 -12.649  -9.671  -0.573
  111   1HG   LYS  16          1HG       LYS  16 -12.944 -11.457  -2.537
  112   2HG   LYS  16          2HG       LYS  16 -11.503 -12.270  -2.044
  113   1HD   LYS  16          1HD       LYS  16 -14.014 -11.902  -0.098
  114   2HD   LYS  16          2HD       LYS  16 -13.820 -13.084  -1.259
  115   1HE   LYS  16          1HE       LYS  16 -11.665 -14.098  -0.100
  116   2HE   LYS  16          2HE       LYS  16 -11.599 -12.576   0.859
  117   1HZ   LYS  16          1HZ       LYS  16 -13.507 -13.286   2.065
  118   2HZ   LYS  16          2HZ       LYS  16 -13.867 -14.453   0.938
  119    H    GLU  17           H        GLU  17  -9.349  -8.588  -0.297
  120    HA   GLU  17           HA       GLU  17 -10.682  -6.212   0.760
  121   1HB   GLU  17          1HB       GLU  17  -7.681  -7.289   0.951
  122   2HB   GLU  17          2HB       GLU  17  -8.418  -5.911   2.040
  123   1HG   GLU  17          1HG       GLU  17 -10.061  -7.370   2.948
  124   2HG   GLU  17          2HG       GLU  17  -9.514  -8.741   1.973
  125    HE2  GLU  17           HE       GLU  17  -7.118  -7.068   4.864
  126    H    HIS  18           H        HIS  18  -7.759  -6.432  -1.327
  127    HA   HIS  18           HA       HIS  18  -7.286  -3.634  -1.788
  128   1HB   HIS  18          1HB       HIS  18  -5.742  -5.731  -2.129
  129   2HB   HIS  18          2HB       HIS  18  -6.772  -6.258  -3.340
  130    HD1  HIS  18           1HD      HIS  18  -6.268  -5.430  -5.986
  131    HD2  HIS  18           2HD      HIS  18  -4.205  -3.422  -2.739
  132    HE1  HIS  18           1HE      HIS  18  -4.649  -3.645  -6.881
  133    H    PHE  19           H        PHE  19  -8.963  -6.043  -3.761
  134    HA   PHE  19           HA       PHE  19  -9.680  -4.230  -5.870
  135   1HB   PHE  19          1HB       PHE  19  -9.160  -6.441  -6.459
  136   2HB   PHE  19          2HB       PHE  19 -10.468  -7.064  -5.475
  137    HD1  PHE  19           1HD      PHE  19 -12.844  -6.608  -6.139
  138    HD2  PHE  19           2HD      PHE  19  -9.608  -5.546  -8.806
  139    HE1  PHE  19           1HE      PHE  19 -14.174  -7.275  -8.090
  140    HE2  PHE  19           2HE      PHE  19 -11.142  -5.849 -10.726
  141    HZ   PHE  19           HZ       PHE  19 -13.456  -6.739 -10.398
  142    H    GLU  20           H        GLU  20 -11.866  -5.718  -3.481
  143    HA   GLU  20           HA       GLU  20 -14.321  -4.109  -3.830
  144   1HB   GLU  20          1HB       GLU  20 -13.443  -5.531  -1.302
  145   2HB   GLU  20          2HB       GLU  20 -14.949  -4.738  -1.518
  146   1HG   GLU  20          1HG       GLU  20 -14.266  -6.797  -3.583
  147   2HG   GLU  20          2HG       GLU  20 -14.498  -7.383  -2.006
  148    HE2  GLU  20           HE       GLU  20 -18.013  -7.140  -2.076
  149    H    LYS  21           H        LYS  21 -11.674  -3.106  -1.558
  150    HA   LYS  21           HA       LYS  21 -12.992  -0.659  -0.740
  151   1HB   LYS  21          1HB       LYS  21 -10.079  -1.402  -0.790
  152   2HB   LYS  21          2HB       LYS  21 -10.550  -0.047   0.182
  153   1HG   LYS  21          1HG       LYS  21 -11.348  -2.760   0.851
  154   2HG   LYS  21          2HG       LYS  21 -10.093  -1.718   1.629
  155   1HD   LYS  21          1HD       LYS  21 -11.987  -0.189   2.365
  156   2HD   LYS  21          2HD       LYS  21 -13.175  -1.283   1.684
  157   1HE   LYS  21          1HE       LYS  21 -13.191  -2.196   3.884
  158   2HE   LYS  21          2HE       LYS  21 -11.942  -3.213   3.207
  159   1HZ   LYS  21          1HZ       LYS  21 -10.287  -1.575   3.837
  160   2HZ   LYS  21          2HZ       LYS  21 -11.419  -0.594   4.359
  161    H    GLY  22           H        GLY  22 -10.332  -1.348  -2.985
  162   1HA   GLY  22          1HA       GLY  22  -9.831   1.291  -4.005
  163   2HA   GLY  22          2HA       GLY  22  -9.384  -0.253  -4.750
  164    H    LYS  23           H        LYS  23 -11.335  -1.111  -6.146
  165    HA   LYS  23           HA       LYS  23 -13.090   0.777  -7.527
  166   1HB   LYS  23          1HB       LYS  23 -11.438  -0.658  -8.869
  167   2HB   LYS  23          2HB       LYS  23 -12.335  -2.101  -8.253
  168   1HG   LYS  23          1HG       LYS  23 -14.483  -0.759  -9.073
  169   2HG   LYS  23          2HG       LYS  23 -13.462   0.102  -9.990
  170   1HD   LYS  23          1HD       LYS  23 -14.005  -2.862 -10.191
  171   2HD   LYS  23          2HD       LYS  23 -14.469  -1.653 -11.253
  172   1HE   LYS  23          1HE       LYS  23 -11.422  -2.334 -10.882
  173   2HE   LYS  23          2HE       LYS  23 -12.348  -3.215 -12.081
  174   1HZ   LYS  23          1HZ       LYS  23 -12.947  -1.261 -13.042
  175   2HZ   LYS  23          2HZ       LYS  23 -11.725  -0.396 -12.179
  176    H    GLY  24           H        GLY  24 -14.505   0.844  -6.123
  177   1HA   GLY  24          1HA       GLY  24 -16.818  -0.552  -6.090
  178   2HA   GLY  24          2HA       GLY  24 -15.993  -1.330  -4.632
  179    H    SER  25           H        SER  25 -14.687   1.068  -3.883
  180    HA   SER  25           HA       SER  25 -16.854   2.585  -2.370
  181   1HB   SER  25          1HB       SER  25 -14.389   1.588  -0.910
  182   2HB   SER  25          2HB       SER  25 -15.615   2.686  -0.389
  183    HG   SER  25           HG       SER  25 -16.347   0.293  -1.499
  184    H    GLN  26           H        GLN  26 -16.737   4.679  -2.433
  185    HA   GLN  26           HA       GLN  26 -14.830   6.404  -3.760
  186   1HB   GLN  26          1HB       GLN  26 -16.992   7.140  -1.688
  187   2HB   GLN  26          2HB       GLN  26 -15.870   8.297  -2.366
  188   1HG   GLN  26          1HG       GLN  26 -17.661   8.572  -3.780
  189   2HG   GLN  26          2HG       GLN  26 -16.730   7.600  -4.729
  190   1HE2  GLN  26          1HE2      GLN  26 -17.253   5.315  -5.161
  191   2HE2  GLN  26          2HE2      GLN  26 -19.008   4.963  -5.070
  192    H    LYS  27           H        LYS  27 -12.928   5.298  -2.809
  193    HA   LYS  27           HA       LYS  27 -11.495   6.988  -0.840
  194   1HB   LYS  27          1HB       LYS  27 -10.950   5.170   0.717
  195   2HB   LYS  27          2HB       LYS  27 -12.600   5.424   0.658
  196   1HG   LYS  27          1HG       LYS  27 -12.973   3.353  -0.812
  197   2HG   LYS  27          2HG       LYS  27 -11.284   3.118  -0.868
  198   1HD   LYS  27          1HD       LYS  27 -12.287   1.635   0.895
  199   2HD   LYS  27          2HD       LYS  27 -11.257   2.832   1.657
  200   1HE   LYS  27          1HE       LYS  27 -13.341   4.327   2.293
  201   2HE   LYS  27          2HE       LYS  27 -14.279   2.984   1.486
  202   1HZ   LYS  27          1HZ       LYS  27 -14.131   2.506   3.926
  203   2HZ   LYS  27          2HZ       LYS  27 -13.262   1.479   3.170
  204    H    LEU  28           H        LEU  28  -9.558   6.305  -0.501
  205    HA   LEU  28           HA       LEU  28  -7.937   5.482  -2.789
  206   1HB   LEU  28          1HB       LEU  28  -7.738   7.880  -1.949
  207   2HB   LEU  28          2HB       LEU  28  -7.174   7.099  -0.474
  208    HG   LEU  28           HG       LEU  28  -5.116   6.194  -1.541
  209   1HD1  LEU  28          1HD1      LEU  28  -4.524   7.318  -3.945
  210   2HD1  LEU  28          2HD1      LEU  28  -5.867   6.016  -3.901
  211   3HD1  LEU  28          3HD1      LEU  28  -6.205   7.717  -3.988
  212   1HD2  LEU  28          1HD2      LEU  28  -5.269   9.242  -1.946
  213   2HD2  LEU  28          2HD2      LEU  28  -5.127   8.360  -0.346
  214   3HD2  LEU  28          3HD2      LEU  28  -3.934   8.254  -1.629
  215    H    ILE  29           H        ILE  29  -6.239   4.026  -2.548
  216    HA   ILE  29           HA       ILE  29  -5.980   2.413  -0.152
  217    HB   ILE  29           HB       ILE  29  -6.465   0.301  -0.827
  218   1HG1  ILE  29          1HG1      ILE  29  -7.371   0.677  -3.592
  219   2HG1  ILE  29          2HG1      ILE  29  -5.633   0.888  -3.364
  220   1HG2  ILE  29          1HG2      ILE  29  -8.794   0.338  -1.475
  221   2HG2  ILE  29          2HG2      ILE  29  -8.591   1.581  -0.186
  222   3HG2  ILE  29          3HG2      ILE  29  -8.693   2.068  -1.839
  223   1HD1  ILE  29          1HD1      ILE  29  -7.091  -1.515  -2.580
  224   2HD1  ILE  29          2HD1      ILE  29  -6.126  -1.373  -3.986
  225   3HD1  ILE  29          3HD1      ILE  29  -5.312  -1.275  -2.336
  226    H    VAL  30           H        VAL  30  -4.064   2.141   0.235
  227    HA   VAL  30           HA       VAL  30  -1.916   2.668  -1.743
  228    HB   VAL  30           HB       VAL  30  -2.042   3.695   1.033
  229   1HG1  VAL  30          1HG1      VAL  30   0.226   3.288   0.850
  230   2HG1  VAL  30          2HG1      VAL  30   0.309   4.025  -0.794
  231   3HG1  VAL  30          3HG1      VAL  30   0.032   5.091   0.704
  232   1HG2  VAL  30          1HG2      VAL  30  -2.342   5.962   0.171
  233   2HG2  VAL  30          2HG2      VAL  30  -2.029   5.459  -1.425
  234   3HG2  VAL  30          3HG2      VAL  30  -3.534   4.898  -0.604
  235    H    VAL  31           H        VAL  31  -0.466   0.950  -1.802
  236    HA   VAL  31           HA       VAL  31  -0.536  -1.208   0.313
  237    HB   VAL  31           HB       VAL  31  -2.400  -1.634  -1.108
  238   1HG1  VAL  31          1HG1      VAL  31  -0.508  -1.387  -3.503
  239   2HG1  VAL  31          2HG1      VAL  31  -1.879  -2.266  -3.557
  240   3HG1  VAL  31          3HG1      VAL  31  -2.174  -0.662  -3.065
  241   1HG2  VAL  31          1HG2      VAL  31  -1.785  -4.058  -1.800
  242   2HG2  VAL  31          2HG2      VAL  31  -0.061  -3.500  -1.736
  243   3HG2  VAL  31          3HG2      VAL  31  -1.109  -3.642  -0.290
  244    H    ASP  32           H        ASP  32   1.408  -1.588   0.869
  245    HA   ASP  32           HA       ASP  32   3.811  -1.421  -0.787
  246   1HB   ASP  32          1HB       ASP  32   3.404  -1.042   1.860
  247   2HB   ASP  32          2HB       ASP  32   3.392  -2.857   1.993
  248    HD2  ASP  32           HD       ASP  32   6.888  -1.328   0.514
  249    H    PHE  33           H        PHE  33   5.089  -3.186  -1.377
  250    HA   PHE  33           HA       PHE  33   4.115  -6.013  -1.502
  251   1HB   PHE  33          1HB       PHE  33   4.996  -4.567  -3.921
  252   2HB   PHE  33          2HB       PHE  33   5.120  -6.058  -3.852
  253    HD1  PHE  33           1HD      PHE  33   2.767  -7.533  -3.413
  254    HD2  PHE  33           2HD      PHE  33   2.601  -3.235  -4.160
  255    HE1  PHE  33           1HE      PHE  33   0.402  -7.690  -3.980
  256    HE2  PHE  33           2HE      PHE  33   0.223  -3.480  -4.292
  257    HZ   PHE  33           HZ       PHE  33  -0.884  -5.597  -4.061
  258    H    THR  34           H        THR  34   5.835  -7.147  -0.529
  259    HA   THR  34           HA       THR  34   8.532  -6.001  -0.470
  260    HB   THR  34           HB       THR  34   7.590  -4.471   0.957
  261    HG1  THR  34           1HG      THR  34   8.986  -6.379   2.461
  262   1HG2  THR  34          1HG2      THR  34   6.647  -6.726   2.931
  263   2HG2  THR  34          2HG2      THR  34   6.770  -5.063   3.418
  264   3HG2  THR  34          3HG2      THR  34   5.581  -5.517   2.131
  265    H    ALA  35           H        ALA  35   9.603  -7.977  -0.206
  266    HA   ALA  35           HA       ALA  35   8.488 -10.454   1.068
  267   1HB   ALA  35          1HB       ALA  35  11.376 -10.785   0.915
  268   2HB   ALA  35          2HB       ALA  35  10.532 -10.382  -0.553
  269   3HB   ALA  35          3HB       ALA  35  11.295  -9.120   0.340
  270    H    SER  36           H        SER  36   8.042 -10.603   3.141
  271    HA   SER  36           HA       SER  36   8.213  -8.963   5.407
  272   1HB   SER  36          1HB       SER  36   7.067 -11.208   5.420
  273   2HB   SER  36          2HB       SER  36   8.630 -11.912   5.577
  274    HG   SER  36           HG       SER  36   6.915 -10.941   7.402
  275    H    TRP  37           H        TRP  37  10.812 -11.019   4.631
  276    HA   TRP  37           HA       TRP  37  12.855 -10.139   6.644
  277   1HB   TRP  37          1HB       TRP  37  14.406 -11.318   5.070
  278   2HB   TRP  37          2HB       TRP  37  13.147 -12.242   5.860
  279    HD1  TRP  37           HD       TRP  37  11.106 -12.992   4.053
  280    HE1  TRP  37           1HE      TRP  37  11.103 -13.520   1.514
  281    HE3  TRP  37           3HE      TRP  37  15.470 -10.638   2.975
  282    HZ2  TRP  37           2HZ      TRP  37  12.928 -13.270  -0.591
  283    HZ3  TRP  37           3HZ      TRP  37  16.085 -10.480   0.598
  284    HH2  TRP  37           HH       TRP  37  14.892 -11.817  -1.134
  285    H    CYS  38           H        CYS  38  12.803  -7.894   6.422
  286    HA   CYS  38           HA       CYS  38  14.658  -6.739   4.487
  287   1HB   CYS  38          1HB       CYS  38  12.729  -6.606   2.840
  288   2HB   CYS  38          2HB       CYS  38  11.592  -5.975   4.181
  289    HG   CYS  38           HG       CYS  38  12.483  -4.162   2.213
  290    HA   PRO  39           HA       PRO  39  14.834  -4.096   8.357
  291   1HB   PRO  39          1HB       PRO  39  17.571  -3.397   7.195
  292   2HB   PRO  39          2HB       PRO  39  17.147  -3.643   8.894
  293   1HG   PRO  39          1HG       PRO  39  18.372  -5.631   7.347
  294   2HG   PRO  39          2HG       PRO  39  16.976  -6.332   8.297
  295   1HD   PRO  39          1HD       PRO  39  16.849  -5.349   5.382
  296   2HD   PRO  39          2HD       PRO  39  16.409  -6.976   6.023
  297    HA   PRO  40           HA       PRO  40  15.034  -0.115   5.623
  298   1HB   PRO  40          1HB       PRO  40  14.234  -1.059   2.849
  299   2HB   PRO  40          2HB       PRO  40  15.101   0.400   3.311
  300   1HG   PRO  40          1HG       PRO  40  16.541  -1.787   2.623
  301   2HG   PRO  40          2HG       PRO  40  17.069  -0.811   3.997
  302   1HD   PRO  40          1HD       PRO  40  15.623  -3.490   4.038
  303   2HD   PRO  40          2HD       PRO  40  17.026  -3.021   5.075
  304    H    CYS  41           H        CYS  41  12.727  -2.689   4.591
  305    HA   CYS  41           HA       CYS  41  10.285  -1.077   5.220
  306   1HB   CYS  41          1HB       CYS  41  10.162  -3.937   4.420
  307   2HB   CYS  41          2HB       CYS  41   8.896  -2.841   4.582
  308    HG   CYS  41           HG       CYS  41   9.068  -3.017   2.063
  309    H    LYS  42           H        LYS  42  12.234  -3.238   7.159
  310    HA   LYS  42           HA       LYS  42  10.287  -3.040   9.268
  311   1HB   LYS  42          1HB       LYS  42  12.585  -4.560   9.227
  312   2HB   LYS  42          2HB       LYS  42  13.341  -3.188   9.888
  313   1HG   LYS  42          1HG       LYS  42  11.818  -3.214  11.804
  314   2HG   LYS  42          2HG       LYS  42  10.939  -4.633  11.035
  315   1HD   LYS  42          1HD       LYS  42  12.971  -6.066  11.361
  316   2HD   LYS  42          2HD       LYS  42  13.992  -4.631  11.620
  317   1HE   LYS  42          1HE       LYS  42  13.537  -6.002  13.690
  318   2HE   LYS  42          2HE       LYS  42  12.784  -4.421  13.954
  319   1HZ   LYS  42          1HZ       LYS  42  11.309  -6.884  13.583
  320   2HZ   LYS  42          2HZ       LYS  42  11.473  -6.025  14.855
  321    H    MET  43           H        MET  43  12.755  -0.432   8.710
  322    HA   MET  43           HA       MET  43  11.593   1.440  10.649
  323   1HB   MET  43          1HB       MET  43  12.855   3.097   9.624
  324   2HB   MET  43          2HB       MET  43  13.875   1.645   9.951
  325   1HG   MET  43          1HG       MET  43  13.646   1.302   7.273
  326   2HG   MET  43          2HG       MET  43  13.254   2.970   7.262
  327   1HE   MET  43          1HE       MET  43  15.426   4.032   6.321
  328   2HE   MET  43          2HE       MET  43  17.037   3.178   6.503
  329   3HE   MET  43          3HE       MET  43  15.662   2.286   5.712
  330    H    ILE  44           H        ILE  44  11.023   1.269   7.089
  331    HA   ILE  44           HA       ILE  44   8.699   2.830   7.165
  332    HB   ILE  44           HB       ILE  44  10.001   1.269   5.171
  333   1HG1  ILE  44          1HG1      ILE  44   8.966   2.504   3.472
  334   2HG1  ILE  44          2HG1      ILE  44   7.696   3.098   4.566
  335   1HG2  ILE  44          1HG2      ILE  44   7.071   0.484   4.665
  336   2HG2  ILE  44          2HG2      ILE  44   8.444  -0.005   3.762
  337   3HG2  ILE  44          3HG2      ILE  44   8.314  -0.574   5.358
  338   1HD1  ILE  44          1HD1      ILE  44   9.566   4.469   5.906
  339   2HD1  ILE  44          2HD1      ILE  44  10.671   3.900   4.635
  340   3HD1  ILE  44          3HD1      ILE  44   9.362   4.930   4.211
  341    H    ALA  45           H        ALA  45   8.533  -0.481   8.247
  342    HA   ALA  45           HA       ALA  45   5.779  -0.539   8.478
  343   1HB   ALA  45          1HB       ALA  45   7.282  -2.030  10.717
  344   2HB   ALA  45          2HB       ALA  45   5.756  -2.431   9.957
  345   3HB   ALA  45          3HB       ALA  45   7.182  -2.646   9.019
  346    HA   PRO  46           HA       PRO  46   5.290   2.132  12.590
  347   1HB   PRO  46          1HB       PRO  46   8.095   3.213  12.618
  348   2HB   PRO  46          2HB       PRO  46   6.918   3.122  13.957
  349   1HG   PRO  46          1HG       PRO  46   8.881   1.177  13.729
  350   2HG   PRO  46          2HG       PRO  46   7.129   0.603  14.034
  351   1HD   PRO  46          1HD       PRO  46   8.671   0.966  11.450
  352   2HD   PRO  46          2HD       PRO  46   7.938  -0.556  11.980
  353    H    ILE  47           H        ILE  47   7.593   3.320   9.834
  354    HA   ILE  47           HA       ILE  47   6.434   6.064   9.947
  355    HB   ILE  47           HB       ILE  47   8.037   4.509   7.810
  356   1HG1  ILE  47          1HG1      ILE  47   9.413   5.106   9.420
  357   2HG1  ILE  47          2HG1      ILE  47   9.854   6.226   8.307
  358   1HG2  ILE  47          1HG2      ILE  47   6.855   5.795   6.282
  359   2HG2  ILE  47          2HG2      ILE  47   6.708   7.196   7.285
  360   3HG2  ILE  47          3HG2      ILE  47   8.251   6.787   6.542
  361   1HD1  ILE  47          1HD1      ILE  47   9.908   7.449  10.346
  362   2HD1  ILE  47          2HD1      ILE  47   8.273   7.957   9.549
  363   3HD1  ILE  47          3HD1      ILE  47   8.366   6.827  10.956
  364    H    PHE  48           H        PHE  48   5.636   3.220   7.892
  365    HA   PHE  48           HA       PHE  48   3.134   4.351   6.661
  366   1HB   PHE  48          1HB       PHE  48   4.553   2.193   6.096
  367   2HB   PHE  48          2HB       PHE  48   3.664   1.464   7.302
  368    HD1  PHE  48           1HD      PHE  48   2.742  -0.241   5.794
  369    HD2  PHE  48           2HD      PHE  48   2.373   3.883   4.560
  370    HE1  PHE  48           1HE      PHE  48   1.423  -0.935   3.923
  371    HE2  PHE  48           2HE      PHE  48   1.152   3.233   2.589
  372    HZ   PHE  48           HZ       PHE  48   0.535   0.844   2.341
  373    H    ALA  49           H        ALA  49   3.489   2.967   9.928
  374    HA   ALA  49           HA       ALA  49   0.667   3.133  10.506
  375   1HB   ALA  49          1HB       ALA  49   1.983   1.258  11.466
  376   2HB   ALA  49          2HB       ALA  49   2.716   2.422  12.585
  377   3HB   ALA  49          3HB       ALA  49   1.036   2.170  12.643
  378    H    GLU  50           H        GLU  50   3.306   5.240  11.237
  379    HA   GLU  50           HA       GLU  50   1.687   7.073  12.933
  380   1HB   GLU  50          1HB       GLU  50   4.342   6.896  12.851
  381   2HB   GLU  50          2HB       GLU  50   4.308   7.568  11.210
  382   1HG   GLU  50          1HG       GLU  50   3.571   8.942  13.887
  383   2HG   GLU  50          2HG       GLU  50   5.024   9.225  12.942
  384    HE2  GLU  50           HE       GLU  50   2.242  11.689  12.085
  385    H    LEU  51           H        LEU  51   2.759   7.319   9.497
  386    HA   LEU  51           HA       LEU  51   1.073   9.349   8.573
  387   1HB   LEU  51          1HB       LEU  51   2.999   8.482   7.348
  388   2HB   LEU  51          2HB       LEU  51   2.349   6.817   7.308
  389    HG   LEU  51           HG       LEU  51   2.569   8.334   5.122
  390   1HD1  LEU  51          1HD1      LEU  51  -0.043   6.615   5.533
  391   2HD1  LEU  51          2HD1      LEU  51   0.856   6.969   4.085
  392   3HD1  LEU  51          3HD1      LEU  51   1.576   5.948   5.326
  393   1HD2  LEU  51          1HD2      LEU  51   0.972  10.222   6.141
  394   2HD2  LEU  51          2HD2      LEU  51   0.568   9.548   4.452
  395   3HD2  LEU  51          3HD2      LEU  51  -0.370   9.025   5.873
  396    H    ALA  52           H        ALA  52   0.256   5.855   8.848
  397    HA   ALA  52           HA       ALA  52  -2.433   6.140   7.806
  398   1HB   ALA  52          1HB       ALA  52  -1.547   3.939   7.988
  399   2HB   ALA  52          2HB       ALA  52  -1.357   3.921   9.786
  400   3HB   ALA  52          3HB       ALA  52  -3.041   3.927   9.082
  401    H    LYS  53           H        LYS  53  -1.183   6.427  11.035
  402    HA   LYS  53           HA       LYS  53  -3.832   6.990  12.403
  403   1HB   LYS  53          1HB       LYS  53  -1.027   7.768  13.263
  404   2HB   LYS  53          2HB       LYS  53  -2.507   8.142  14.186
  405   1HG   LYS  53          1HG       LYS  53  -3.079   5.568  14.361
  406   2HG   LYS  53          2HG       LYS  53  -1.531   5.206  13.540
  407   1HD   LYS  53          1HD       LYS  53  -1.779   6.951  16.005
  408   2HD   LYS  53          2HD       LYS  53  -1.872   5.184  16.120
  409   1HE   LYS  53          1HE       LYS  53   0.592   5.252  14.716
  410   2HE   LYS  53          2HE       LYS  53   0.570   6.878  15.256
  411   1HZ   LYS  53          1HZ       LYS  53   0.214   4.578  17.148
  412   2HZ   LYS  53          2HZ       LYS  53   1.666   5.319  16.785
  413    H    LYS  54           H        LYS  54  -1.812   8.991  10.345
  414    HA   LYS  54           HA       LYS  54  -2.884  11.581  11.165
  415   1HB   LYS  54          1HB       LYS  54  -0.417  11.086  10.666
  416   2HB   LYS  54          2HB       LYS  54  -0.961  10.749   9.019
  417   1HG   LYS  54          1HG       LYS  54  -1.941  13.165   8.989
  418   2HG   LYS  54          2HG       LYS  54  -1.164  13.454  10.492
  419   1HD   LYS  54          1HD       LYS  54   0.355  12.470   7.836
  420   2HD   LYS  54          2HD       LYS  54   0.247  14.137   8.454
  421   1HE   LYS  54          1HE       LYS  54   1.614  13.462  10.481
  422   2HE   LYS  54          2HE       LYS  54   1.890  11.891   9.674
  423   1HZ   LYS  54          1HZ       LYS  54   2.931  14.570   8.702
  424   2HZ   LYS  54          2HZ       LYS  54   3.644  13.129   8.936
  425    H    PHE  55           H        PHE  55  -3.380   9.386   8.859
  426    HA   PHE  55           HA       PHE  55  -5.253  10.874   7.005
  427   1HB   PHE  55          1HB       PHE  55  -3.011   8.994   6.398
  428   2HB   PHE  55          2HB       PHE  55  -4.301   9.198   5.378
  429    HD1  PHE  55           1HD      PHE  55  -4.900  11.340   4.157
  430    HD2  PHE  55           2HD      PHE  55  -1.668  10.997   6.811
  431    HE1  PHE  55           1HE      PHE  55  -3.941  13.523   3.281
  432    HE2  PHE  55           2HE      PHE  55  -0.593  13.077   5.829
  433    HZ   PHE  55           HZ       PHE  55  -1.722  14.297   4.193
  434    HA   PRO  56           HA       PRO  56  -8.354   7.801   7.944
  435   1HB   PRO  56          1HB       PRO  56 -10.556   9.482   8.262
  436   2HB   PRO  56          2HB       PRO  56  -9.287   9.276   9.352
  437   1HG   PRO  56          1HG       PRO  56  -9.623  11.404   7.115
  438   2HG   PRO  56          2HG       PRO  56  -9.225  11.580   8.877
  439   1HD   PRO  56          1HD       PRO  56  -7.479  11.393   6.769
  440   2HD   PRO  56          2HD       PRO  56  -7.070  11.310   8.515
  441    H    ASN  57           H        ASN  57  -8.068   9.027   4.843
  442    HA   ASN  57           HA       ASN  57 -10.656   8.349   3.735
  443   1HB   ASN  57          1HB       ASN  57 -10.263   9.842   1.931
  444   2HB   ASN  57          2HB       ASN  57 -10.265  10.860   3.423
  445   1HD2  ASN  57          1HD2      ASN  57  -8.288  11.659   4.067
  446   2HD2  ASN  57          2HD2      ASN  57  -6.857  11.698   2.959
  447    H    VAL  58           H        VAL  58  -7.912   6.946   4.426
  448    HA   VAL  58           HA       VAL  58  -7.602   5.516   1.869
  449    HB   VAL  58           HB       VAL  58  -6.284   7.610   1.533
  450   1HG1  VAL  58          1HG1      VAL  58  -5.150   7.190   4.271
  451   2HG1  VAL  58          2HG1      VAL  58  -4.555   8.314   2.980
  452   3HG1  VAL  58          3HG1      VAL  58  -6.075   8.528   3.684
  453   1HG2  VAL  58          1HG2      VAL  58  -4.210   6.802   1.046
  454   2HG2  VAL  58          2HG2      VAL  58  -4.254   5.526   2.299
  455   3HG2  VAL  58          3HG2      VAL  58  -5.293   5.371   0.876
  456    H    THR  59           H        THR  59  -7.867   3.612   2.283
  457    HA   THR  59           HA       THR  59  -7.024   2.144   4.659
  458    HB   THR  59           HB       THR  59  -7.879   1.196   1.828
  459    HG1  THR  59           1HG      THR  59  -9.425   1.388   4.263
  460   1HG2  THR  59          1HG2      THR  59  -8.543  -0.820   2.707
  461   2HG2  THR  59          2HG2      THR  59  -6.855  -0.695   3.055
  462   3HG2  THR  59          3HG2      THR  59  -7.960  -0.421   4.452
  463    H    PHE  60           H        PHE  60  -5.479   0.779   4.752
  464    HA   PHE  60           HA       PHE  60  -3.268   0.769   2.806
  465   1HB   PHE  60          1HB       PHE  60  -2.781   1.215   5.836
  466   2HB   PHE  60          2HB       PHE  60  -1.557   1.049   4.574
  467    HD1  PHE  60           1HD      PHE  60  -1.328   2.961   2.910
  468    HD2  PHE  60           2HD      PHE  60  -3.665   3.185   6.492
  469    HE1  PHE  60           1HE      PHE  60  -1.387   5.373   2.698
  470    HE2  PHE  60           2HE      PHE  60  -3.708   5.674   6.239
  471    HZ   PHE  60           HZ       PHE  60  -2.670   6.746   4.360
  472    H    LEU  61           H        LEU  61  -2.350  -1.019   2.457
  473    HA   LEU  61           HA       LEU  61  -2.234  -3.171   4.427
  474   1HB   LEU  61          1HB       LEU  61  -3.618  -4.776   3.332
  475   2HB   LEU  61          2HB       LEU  61  -4.642  -3.401   3.163
  476    HG   LEU  61           HG       LEU  61  -3.219  -3.167   0.806
  477   1HD1  LEU  61          1HD1      LEU  61  -3.360  -6.116   1.379
  478   2HD1  LEU  61          2HD1      LEU  61  -3.179  -5.326  -0.367
  479   3HD1  LEU  61          3HD1      LEU  61  -1.922  -5.232   0.944
  480   1HD2  LEU  61          1HD2      LEU  61  -5.582  -3.052   0.786
  481   2HD2  LEU  61          2HD2      LEU  61  -5.274  -4.454  -0.294
  482   3HD2  LEU  61          3HD2      LEU  61  -5.786  -4.791   1.400
  483    H    LYS  62           H        LYS  62  -1.108  -5.157   3.733
  484    HA   LYS  62           HA       LYS  62   1.367  -4.440   2.158
  485   1HB   LYS  62          1HB       LYS  62   2.907  -4.670   3.903
  486   2HB   LYS  62          2HB       LYS  62   2.040  -3.338   4.367
  487   1HG   LYS  62          1HG       LYS  62   0.931  -4.471   6.263
  488   2HG   LYS  62          2HG       LYS  62   1.394  -6.090   5.751
  489   1HD   LYS  62          1HD       LYS  62   3.791  -5.651   5.999
  490   2HD   LYS  62          2HD       LYS  62   3.592  -3.993   6.094
  491   1HE   LYS  62          1HE       LYS  62   2.334  -4.300   8.299
  492   2HE   LYS  62          2HE       LYS  62   2.375  -6.114   8.199
  493   1HZ   LYS  62          1HZ       LYS  62   4.189  -5.614   9.555
  494   2HZ   LYS  62          2HZ       LYS  62   4.640  -4.230   8.781
  495    H    VAL  63           H        VAL  63   1.265  -5.879   0.980
  496    HA   VAL  63           HA       VAL  63   0.694  -8.787   1.421
  497    HB   VAL  63           HB       VAL  63   1.738  -7.082  -0.999
  498   1HG1  VAL  63          1HG1      VAL  63   0.891  -9.201  -2.393
  499   2HG1  VAL  63          2HG1      VAL  63   2.509  -9.381  -1.645
  500   3HG1  VAL  63          3HG1      VAL  63   1.128 -10.169  -0.892
  501   1HG2  VAL  63          1HG2      VAL  63  -0.679  -6.521  -0.343
  502   2HG2  VAL  63          2HG2      VAL  63  -0.660  -7.622  -1.750
  503   3HG2  VAL  63          3HG2      VAL  63  -1.096  -8.311  -0.351
  504    H    ASP  64           H        ASP  64   2.220 -10.171   2.074
  505    HA   ASP  64           HA       ASP  64   5.086 -10.059   1.822
  506   1HB   ASP  64          1HB       ASP  64   3.965 -11.480   3.621
  507   2HB   ASP  64          2HB       ASP  64   3.158 -12.343   2.331
  508    HD2  ASP  64           HD       ASP  64   5.750 -14.360   3.625
  509    H    VAL  65           H        VAL  65   5.714 -10.007  -0.201
  510    HA   VAL  65           HA       VAL  65   4.502 -10.977  -2.535
  511    HB   VAL  65           HB       VAL  65   6.443  -9.274  -2.089
  512   1HG1  VAL  65          1HG1      VAL  65   8.697  -9.653  -2.436
  513   2HG1  VAL  65          2HG1      VAL  65   8.078 -10.883  -1.267
  514   3HG1  VAL  65          3HG1      VAL  65   8.508 -11.291  -2.946
  515   1HG2  VAL  65          1HG2      VAL  65   6.411 -10.920  -4.745
  516   2HG2  VAL  65          2HG2      VAL  65   5.334  -9.605  -4.440
  517   3HG2  VAL  65          3HG2      VAL  65   7.074  -9.257  -4.635
  518    H    ASP  66           H        ASP  66   6.956 -12.908  -0.752
  519    HA   ASP  66           HA       ASP  66   7.488 -15.089  -2.551
  520   1HB   ASP  66          1HB       ASP  66   6.968 -15.214   0.473
  521   2HB   ASP  66          2HB       ASP  66   7.826 -16.390  -0.609
  522    HD2  ASP  66           HD       ASP  66  10.850 -14.788  -0.453
  523    H    GLU  67           H        GLU  67   4.605 -14.953  -0.702
  524    HA   GLU  67           HA       GLU  67   3.106 -17.157  -1.997
  525   1HB   GLU  67          1HB       GLU  67   2.206 -14.955   0.016
  526   2HB   GLU  67          2HB       GLU  67   1.171 -16.212  -0.752
  527   1HG   GLU  67          1HG       GLU  67   1.711 -17.405   1.072
  528   2HG   GLU  67          2HG       GLU  67   2.904 -18.116   0.308
  529    HE2  GLU  67           HE       GLU  67   5.388 -17.079   2.373
  530    H    LEU  68           H        LEU  68   3.395 -13.769  -2.934
  531    HA   LEU  68           HA       LEU  68   1.360 -13.952  -5.097
  532   1HB   LEU  68          1HB       LEU  68   1.397 -11.835  -2.867
  533   2HB   LEU  68          2HB       LEU  68   0.400 -11.735  -4.305
  534    HG   LEU  68           HG       LEU  68  -0.031 -13.794  -1.971
  535   1HD1  LEU  68          1HD1      LEU  68  -2.011 -12.377  -1.504
  536   2HD1  LEU  68          2HD1      LEU  68  -0.447 -11.556  -1.223
  537   3HD1  LEU  68          3HD1      LEU  68  -1.374 -11.104  -2.712
  538   1HD2  LEU  68          1HD2      LEU  68  -0.790 -14.684  -4.237
  539   2HD2  LEU  68          2HD2      LEU  68  -1.902 -14.582  -2.924
  540   3HD2  LEU  68          3HD2      LEU  68  -1.986 -13.356  -4.292
  541    H    LYS  69           H        LYS  69   3.436 -13.852  -5.989
  542    HA   LYS  69           HA       LYS  69   4.733 -11.247  -6.671
  543   1HB   LYS  69          1HB       LYS  69   6.392 -12.372  -7.988
  544   2HB   LYS  69          2HB       LYS  69   6.478 -12.617  -6.364
  545   1HG   LYS  69          1HG       LYS  69   5.399 -14.920  -6.482
  546   2HG   LYS  69          2HG       LYS  69   5.276 -14.760  -8.262
  547   1HD   LYS  69          1HD       LYS  69   7.846 -14.525  -8.265
  548   2HD   LYS  69          2HD       LYS  69   7.860 -14.767  -6.479
  549   1HE   LYS  69          1HE       LYS  69   6.686 -17.123  -7.006
  550   2HE   LYS  69          2HE       LYS  69   6.797 -16.703  -8.705
  551   1HZ   LYS  69          1HZ       LYS  69   9.216 -16.441  -8.413
  552   2HZ   LYS  69          2HZ       LYS  69   9.240 -17.265  -7.027
  553    H    ALA  70           H        ALA  70   2.751 -13.704  -8.203
  554    HA   ALA  70           HA       ALA  70   2.876 -12.645 -10.977
  555   1HB   ALA  70          1HB       ALA  70   0.956 -14.059 -11.397
  556   2HB   ALA  70          2HB       ALA  70   1.818 -15.031 -10.273
  557   3HB   ALA  70          3HB       ALA  70   0.447 -14.275  -9.652
  558    H    VAL  71           H        VAL  71   0.218 -12.136  -8.652
  559    HA   VAL  71           HA       VAL  71  -0.786  -9.662  -9.652
  560    HB   VAL  71           HB       VAL  71  -1.935 -11.066  -8.094
  561   1HG1  VAL  71          1HG1      VAL  71  -1.503 -10.852  -5.660
  562   2HG1  VAL  71          2HG1      VAL  71   0.049 -11.387  -6.467
  563   3HG1  VAL  71          3HG1      VAL  71   0.012  -9.743  -6.011
  564   1HG2  VAL  71          1HG2      VAL  71  -3.093  -8.986  -7.084
  565   2HG2  VAL  71          2HG2      VAL  71  -1.411  -8.147  -7.031
  566   3HG2  VAL  71          3HG2      VAL  71  -2.429  -8.372  -8.494
  567    H    ALA  72           H        ALA  72   1.802  -9.739  -7.044
  568    HA   ALA  72           HA       ALA  72   2.329  -6.887  -6.991
  569   1HB   ALA  72          1HB       ALA  72   4.688  -7.468  -6.305
  570   2HB   ALA  72          2HB       ALA  72   3.456  -8.379  -5.480
  571   3HB   ALA  72          3HB       ALA  72   4.490  -9.114  -6.798
  572    H    GLU  73           H        GLU  73   3.870  -9.064  -9.025
  573    HA   GLU  73           HA       GLU  73   5.519  -7.419 -10.670
  574   1HB   GLU  73          1HB       GLU  73   4.299 -10.045 -11.246
  575   2HB   GLU  73          2HB       GLU  73   5.363  -9.238 -12.465
  576   1HG   GLU  73          1HG       GLU  73   7.351  -9.386 -11.144
  577   2HG   GLU  73          2HG       GLU  73   6.474  -9.992  -9.750
  578    HE2  GLU  73           HE       GLU  73   8.390 -12.438 -11.283
  579    H    GLU  74           H        GLU  74   1.879  -8.635 -11.224
  580    HA   GLU  74           HA       GLU  74   1.425  -7.168 -13.549
  581   1HB   GLU  74          1HB       GLU  74  -0.470  -8.089 -13.819
  582   2HB   GLU  74          2HB       GLU  74  -0.008  -9.138 -12.522
  583   1HG   GLU  74          1HG       GLU  74  -1.010  -7.864 -10.782
  584   2HG   GLU  74          2HG       GLU  74  -1.597  -6.679 -11.825
  585    HE2  GLU  74           HE       GLU  74  -3.573  -7.065 -11.680
  586    H    TRP  75           H        TRP  75   0.787  -5.799 -10.330
  587    HA   TRP  75           HA       TRP  75  -0.007  -3.144 -11.373
  588   1HB   TRP  75          1HB       TRP  75   1.340  -3.103  -8.669
  589   2HB   TRP  75          2HB       TRP  75   0.125  -2.087  -9.301
  590    HD1  TRP  75           HD       TRP  75   0.495  -5.099  -7.093
  591    HE1  TRP  75           1HE      TRP  75  -1.567  -6.616  -6.717
  592    HE3  TRP  75           3HE      TRP  75  -2.568  -2.665 -10.368
  593    HZ2  TRP  75           2HZ      TRP  75  -3.958  -6.811  -7.808
  594    HZ3  TRP  75           3HZ      TRP  75  -4.758  -3.701 -10.901
  595    HH2  TRP  75           HH       TRP  75  -5.594  -5.701  -9.627
  596    H    ASN  76           H        ASN  76   3.150  -4.132 -10.265
  597    HA   ASN  76           HA       ASN  76   4.534  -4.030 -12.469
  598   1HB   ASN  76          1HB       ASN  76   3.771  -1.974 -13.143
  599   2HB   ASN  76          2HB       ASN  76   4.638  -1.189 -11.959
  600   1HD2  ASN  76          1HD2      ASN  76   7.370  -1.659 -12.239
  601   2HD2  ASN  76          2HD2      ASN  76   7.959  -1.966 -13.912
  602    H    VAL  77           H        VAL  77   5.351  -5.175 -10.602
  603    HA   VAL  77           HA       VAL  77   7.584  -3.959  -9.154
  604    HB   VAL  77           HB       VAL  77   5.849  -6.383  -7.849
  605   1HG1  VAL  77          1HG1      VAL  77   7.940  -4.269  -6.851
  606   2HG1  VAL  77          2HG1      VAL  77   6.785  -5.103  -5.704
  607   3HG1  VAL  77          3HG1      VAL  77   7.836  -6.068  -6.710
  608   1HG2  VAL  77          1HG2      VAL  77   4.771  -4.486  -6.371
  609   2HG2  VAL  77          2HG2      VAL  77   5.405  -3.192  -7.536
  610   3HG2  VAL  77          3HG2      VAL  77   4.247  -4.261  -7.994
  611    H    GLU  78           H        GLU  78   8.818  -4.549 -10.282
  612    HA   GLU  78           HA       GLU  78  10.164  -7.206 -10.739
  613   1HB   GLU  78          1HB       GLU  78  12.128  -6.177 -11.588
  614   2HB   GLU  78          2HB       GLU  78  10.560  -5.919 -12.535
  615   1HG   GLU  78          1HG       GLU  78  10.587  -3.475 -11.321
  616   2HG   GLU  78          2HG       GLU  78  12.351  -3.609 -11.254
  617    HE2  GLU  78           HE       GLU  78  13.489  -4.172 -13.158
  618    H    ALA  79           H        ALA  79  10.193  -4.624  -8.335
  619    HA   ALA  79           HA       ALA  79  12.913  -5.104  -7.209
  620   1HB   ALA  79          1HB       ALA  79  13.498  -2.977  -7.291
  621   2HB   ALA  79          2HB       ALA  79  12.859  -3.286  -8.884
  622   3HB   ALA  79          3HB       ALA  79  11.998  -2.117  -7.802
  623    H    MET  80           H        MET  80  13.025  -4.954  -5.020
  624    HA   MET  80           HA       MET  80  10.803  -4.466  -3.319
  625   1HB   MET  80          1HB       MET  80  13.235  -6.402  -3.158
  626   2HB   MET  80          2HB       MET  80  13.023  -5.283  -1.925
  627   1HG   MET  80          1HG       MET  80  11.783  -7.337  -1.367
  628   2HG   MET  80          2HG       MET  80  10.563  -5.897  -1.564
  629   1HE   MET  80          1HE       MET  80   8.486  -6.263  -2.843
  630   2HE   MET  80          2HE       MET  80   9.103  -5.568  -4.319
  631   3HE   MET  80          3HE       MET  80   8.362  -7.171  -4.598
  632    HA   PRO  81           HA       PRO  81   9.584  -3.285  -2.783
  633   1HB   PRO  81          1HB       PRO  81   9.109  -2.723  -0.322
  634   2HB   PRO  81          2HB       PRO  81  10.187  -3.932  -0.854
  635   1HG   PRO  81          2HG       PRO  81  10.522  -1.213   0.147
  636   2HG   PRO  81          1HG       PRO  81  11.627  -2.499   0.653
  637   1HD   PRO  81          1HD       PRO  81  11.959  -0.390  -1.437
  638   2HD   PRO  81          2HD       PRO  81  13.149  -1.790  -1.105
  639    H    THR  82           H        THR  82   7.986  -2.547  -2.917
  640    HA   THR  82           HA       THR  82   7.634   0.079  -4.067
  641    HB   THR  82           HB       THR  82   6.544  -2.275  -5.183
  642    HG1  THR  82           1HG      THR  82   8.570  -2.673  -5.754
  643   1HG2  THR  82          1HG2      THR  82   5.347  -0.604  -6.486
  644   2HG2  THR  82          2HG2      THR  82   6.676   0.585  -6.365
  645   3HG2  THR  82          3HG2      THR  82   6.749  -0.731  -7.550
  646    H    PHE  83           H        PHE  83   5.903   1.317  -3.437
  647    HA   PHE  83           HA       PHE  83   3.422   0.324  -2.213
  648   1HB   PHE  83          1HB       PHE  83   4.442   3.193  -2.655
  649   2HB   PHE  83          2HB       PHE  83   3.178   2.809  -1.772
  650    HD1  PHE  83           1HD      PHE  83   6.923   2.742  -1.640
  651    HD2  PHE  83           2HD      PHE  83   3.144   1.854   0.602
  652    HE1  PHE  83           1HE      PHE  83   7.986   2.759   0.533
  653    HE2  PHE  83           2HE      PHE  83   4.542   1.782   2.630
  654    HZ   PHE  83           HZ       PHE  83   6.964   2.186   2.558
  655    H    ILE  84           H        ILE  84   1.310   0.778  -3.456
  656    HA   ILE  84           HA       ILE  84   1.369   1.900  -5.984
  657    HB   ILE  84           HB       ILE  84   0.832  -0.933  -5.162
  658   1HG1  ILE  84          1HG1      ILE  84   1.352  -0.867  -7.831
  659   2HG1  ILE  84          2HG1      ILE  84   2.569   0.301  -7.118
  660   1HG2  ILE  84          1HG2      ILE  84  -0.787   0.278  -7.342
  661   2HG2  ILE  84          2HG2      ILE  84  -0.575  -1.351  -7.164
  662   3HG2  ILE  84          3HG2      ILE  84  -1.433  -0.638  -5.943
  663   1HD1  ILE  84          1HD1      ILE  84   3.232  -1.678  -5.373
  664   2HD1  ILE  84          2HD1      ILE  84   2.586  -2.758  -6.572
  665   3HD1  ILE  84          3HD1      ILE  84   3.641  -1.511  -7.192
  666    H    PHE  85           H        PHE  85   0.005   3.223  -6.086
  667    HA   PHE  85           HA       PHE  85  -2.198   3.796  -4.271
  668   1HB   PHE  85          1HB       PHE  85  -0.855   5.158  -6.500
  669   2HB   PHE  85          2HB       PHE  85  -2.106   5.824  -5.500
  670    HD1  PHE  85           1HD      PHE  85   1.368   4.511  -5.093
  671    HD2  PHE  85           2HD      PHE  85  -1.696   7.005  -3.474
  672    HE1  PHE  85           1HE      PHE  85   2.812   5.167  -3.139
  673    HE2  PHE  85           2HE      PHE  85  -0.261   7.792  -1.673
  674    HZ   PHE  85           HZ       PHE  85   1.967   6.766  -1.502
  675    H    LEU  86           H        LEU  86  -3.898   2.730  -4.717
  676    HA   LEU  86           HA       LEU  86  -5.033   2.542  -7.476
  677   1HB   LEU  86          1HB       LEU  86  -3.803   0.536  -6.453
  678   2HB   LEU  86          2HB       LEU  86  -4.942   0.263  -5.253
  679    HG   LEU  86           HG       LEU  86  -5.524  -1.301  -6.594
  680   1HD1  LEU  86          1HD1      LEU  86  -7.539  -0.782  -8.003
  681   2HD1  LEU  86          2HD1      LEU  86  -7.685  -0.117  -6.422
  682   3HD1  LEU  86          3HD1      LEU  86  -7.147   0.905  -7.764
  683   1HD2  LEU  86          1HD2      LEU  86  -5.043  -1.640  -8.971
  684   2HD2  LEU  86          2HD2      LEU  86  -4.888   0.126  -9.206
  685   3HD2  LEU  86          3HD2      LEU  86  -3.773  -0.854  -8.233
  686    H    LYS  87           H        LYS  87  -6.781   3.597  -7.437
  687    HA   LYS  87           HA       LYS  87  -8.582   4.252  -5.121
  688   1HB   LYS  87          1HB       LYS  87  -6.942   5.960  -6.227
  689   2HB   LYS  87          2HB       LYS  87  -7.667   5.629  -7.684
  690   1HG   LYS  87          1HG       LYS  87  -9.752   6.875  -6.708
  691   2HG   LYS  87          2HG       LYS  87  -8.960   6.575  -5.127
  692   1HD   LYS  87          1HD       LYS  87  -7.260   8.346  -5.862
  693   2HD   LYS  87          2HD       LYS  87  -7.943   8.426  -7.413
  694   1HE   LYS  87          1HE       LYS  87 -10.086   9.571  -6.256
  695   2HE   LYS  87          2HE       LYS  87  -9.021   9.557  -4.745
  696   1HZ   LYS  87          1HZ       LYS  87  -8.886  11.630  -6.250
  697   2HZ   LYS  87          2HZ       LYS  87  -7.557  10.804  -5.610
  698    H    ASP  88           H        ASP  88 -10.886   4.528  -5.441
  699    HA   ASP  88           HA       ASP  88 -12.431   3.289  -7.616
  700   1HB   ASP  88          1HB       ASP  88 -14.203   4.652  -7.058
  701   2HB   ASP  88          2HB       ASP  88 -13.356   4.143  -5.734
  702    HD2  ASP  88           HD       ASP  88 -12.465   7.487  -4.788
  703    H    GLY  89           H        GLY  89 -10.133   3.937  -8.976
  704   1HA   GLY  89          1HA       GLY  89 -11.188   5.156 -11.505
  705   2HA   GLY  89          2HA       GLY  89 -10.019   6.163 -10.781
  706    H    LYS  90           H        LYS  90  -9.634   2.693 -10.446
  707    HA   LYS  90           HA       LYS  90  -7.988   1.134 -11.012
  708   1HB   LYS  90          1HB       LYS  90  -8.009   2.681 -13.583
  709   2HB   LYS  90          2HB       LYS  90  -6.892   1.356 -13.496
  710   1HG   LYS  90          1HG       LYS  90  -8.669  -0.286 -13.288
  711   2HG   LYS  90          2HG       LYS  90  -9.864   0.814 -12.779
  712   1HD   LYS  90          1HD       LYS  90  -8.699   0.924 -15.558
  713   2HD   LYS  90          2HD       LYS  90 -10.078   0.021 -15.066
  714   1HE   LYS  90          1HE       LYS  90 -11.412   1.826 -14.408
  715   2HE   LYS  90          2HE       LYS  90 -10.170   3.082 -14.754
  716   1HZ   LYS  90          1HZ       LYS  90 -10.280   2.257 -17.179
  717   2HZ   LYS  90          2HZ       LYS  90 -11.561   2.914 -16.708
  718    H    LEU  91           H        LEU  91  -5.640   1.131 -11.843
  719    HA   LEU  91           HA       LEU  91  -3.867   2.136  -9.862
  720   1HB   LEU  91          1HB       LEU  91  -3.517   0.303 -11.596
  721   2HB   LEU  91          2HB       LEU  91  -3.438   1.509 -12.813
  722    HG   LEU  91           HG       LEU  91  -1.353   2.376 -11.608
  723   1HD1  LEU  91          1HD1      LEU  91  -1.839   1.330  -9.283
  724   2HD1  LEU  91          2HD1      LEU  91  -1.435  -0.181  -9.879
  725   3HD1  LEU  91          3HD1      LEU  91  -0.150   0.966  -9.770
  726   1HD2  LEU  91          1HD2      LEU  91   0.272   0.590 -12.487
  727   2HD2  LEU  91          2HD2      LEU  91  -1.171  -0.496 -12.528
  728   3HD2  LEU  91          3HD2      LEU  91  -1.271   0.799 -13.571
  729    H    VAL  92           H        VAL  92  -4.357   4.241  -9.455
  730    HA   VAL  92           HA       VAL  92  -3.579   6.476 -11.088
  731    HB   VAL  92           HB       VAL  92  -3.754   7.860  -9.169
  732   1HG1  VAL  92          1HG1      VAL  92  -6.166   6.234  -9.295
  733   2HG1  VAL  92          2HG1      VAL  92  -6.030   8.056  -8.969
  734   3HG1  VAL  92          3HG1      VAL  92  -5.659   7.306 -10.550
  735   1HG2  VAL  92          1HG2      VAL  92  -4.722   5.563  -7.354
  736   2HG2  VAL  92          2HG2      VAL  92  -2.959   6.225  -7.620
  737   3HG2  VAL  92          3HG2      VAL  92  -4.344   7.206  -6.936
  738    H    ASP  93           H        ASP  93  -1.300   4.810  -8.817
  739    HA   ASP  93           HA       ASP  93   1.056   6.220  -9.903
  740   1HB   ASP  93          1HB       ASP  93  -0.307   7.576  -7.754
  741   2HB   ASP  93          2HB       ASP  93   0.937   6.675  -7.016
  742    HD2  ASP  93           HD       ASP  93   0.418   9.124  -9.345
  743    H    LYS  94           H        LYS  94   3.133   5.659  -8.874
  744    HA   LYS  94           HA       LYS  94   3.214   3.339  -7.173
  745   1HB   LYS  94          1HB       LYS  94   4.456   1.885  -8.574
  746   2HB   LYS  94          2HB       LYS  94   2.877   2.198  -9.249
  747   1HG   LYS  94          1HG       LYS  94   4.078   3.836 -10.882
  748   2HG   LYS  94          2HG       LYS  94   5.595   3.234 -10.425
  749   1HD   LYS  94          1HD       LYS  94   4.806   0.811 -10.827
  750   2HD   LYS  94          2HD       LYS  94   3.330   1.546 -11.310
  751   1HE   LYS  94          1HE       LYS  94   5.837   2.434 -12.663
  752   2HE   LYS  94          2HE       LYS  94   5.134   0.793 -13.153
  753   1HZ   LYS  94          1HZ       LYS  94   3.219   1.876 -13.862
  754   2HZ   LYS  94          2HZ       LYS  94   4.331   2.646 -14.578
  755    H    THR  95           H        THR  95   5.026   3.309  -6.096
  756    HA   THR  95           HA       THR  95   7.569   4.786  -6.599
  757    HB   THR  95           HB       THR  95   5.983   5.480  -4.137
  758    HG1  THR  95           1HG      THR  95   5.477   6.475  -6.010
  759   1HG2  THR  95          1HG2      THR  95   8.063   7.329  -4.267
  760   2HG2  THR  95          2HG2      THR  95   8.422   5.732  -3.434
  761   3HG2  THR  95          3HG2      THR  95   8.920   6.107  -4.964
  762    H    VAL  96           H        VAL  96   9.270   4.219  -5.440
  763    HA   VAL  96           HA       VAL  96   9.038   1.632  -4.054
  764    HB   VAL  96           HB       VAL  96   9.028   0.523  -5.894
  765   1HG1  VAL  96          1HG1      VAL  96  10.935   2.292  -7.331
  766   2HG1  VAL  96          2HG1      VAL  96  10.066   1.109  -8.262
  767   3HG1  VAL  96          3HG1      VAL  96   9.146   2.315  -7.661
  768   1HG2  VAL  96          1HG2      VAL  96  11.931   0.382  -5.270
  769   2HG2  VAL  96          2HG2      VAL  96  10.620  -0.484  -4.614
  770   3HG2  VAL  96          3HG2      VAL  96  10.952  -0.820  -6.297
  771    H    GLY  97           H        GLY  97  10.148   2.054  -2.262
  772   1HA   GLY  97          1HA       GLY  97  12.827   2.127  -2.114
  773   2HA   GLY  97          2HA       GLY  97  12.553   3.843  -2.138
  774    H    ALA  98           H        ALA  98  12.871   4.145  -0.118
  775    HA   ALA  98           HA       ALA  98  10.926   3.626   2.075
  776   1HB   ALA  98          1HB       ALA  98  13.433   1.948   2.328
  777   2HB   ALA  98          2HB       ALA  98  12.386   2.270   3.588
  778   3HB   ALA  98          3HB       ALA  98  11.889   1.398   2.175
  779    H    ASP  99           H        ASP  99  11.004   5.862   2.472
  780    HA   ASP  99           HA       ASP  99  13.463   7.183   3.573
  781   1HB   ASP  99          1HB       ASP  99  13.516   7.710   1.285
  782   2HB   ASP  99          2HB       ASP  99  11.764   8.316   1.225
  783    HD2  ASP  99           HD       ASP  99  12.929  11.395   1.432
  784    H    LYS 100           H        LYS 100  12.659   8.269   5.437
  785    HA   LYS 100           HA       LYS 100  10.113   7.745   6.672
  786   1HB   LYS 100          1HB       LYS 100  10.934   8.820   8.599
  787   2HB   LYS 100          2HB       LYS 100  12.242   7.796   8.006
  788   1HG   LYS 100          1HG       LYS 100  13.623   9.594   7.041
  789   2HG   LYS 100          2HG       LYS 100  12.353  10.748   7.472
  790   1HD   LYS 100          1HD       LYS 100  12.715  10.119   9.870
  791   2HD   LYS 100          2HD       LYS 100  13.885   8.907   9.398
  792   1HE   LYS 100          1HE       LYS 100  15.202  10.954   8.464
  793   2HE   LYS 100          2HE       LYS 100  14.071  12.054   9.165
  794   1HZ   LYS 100          1HZ       LYS 100  14.697  10.694  11.364
  795   2HZ   LYS 100          2HZ       LYS 100  15.929  10.084  10.412
  796    H    ASP 101           H        ASP 101  11.406  10.485   5.242
  797    HA   ASP 101           HA       ASP 101   9.001  12.301   5.449
  798   1HB   ASP 101          1HB       ASP 101  10.292  14.000   4.061
  799   2HB   ASP 101          2HB       ASP 101  10.934  13.603   5.663
  800    HD2  ASP 101           HD       ASP 101  13.959  12.417   4.440
  801    H    GLY 102           H        GLY 102  10.326  10.310   2.935
  802   1HA   GLY 102          1HA       GLY 102   9.182  11.523   0.616
  803   2HA   GLY 102          2HA       GLY 102   9.740   9.844   0.684
  804    H    LEU 103           H        LEU 103   8.045   8.717   2.269
  805    HA   LEU 103           HA       LEU 103   5.568   8.205   0.940
  806   1HB   LEU 103          1HB       LEU 103   6.938   6.533   2.147
  807   2HB   LEU 103          2HB       LEU 103   6.649   7.334   3.684
  808    HG   LEU 103           HG       LEU 103   4.181   6.624   3.306
  809   1HD1  LEU 103          1HD1      LEU 103   3.594   5.046   1.574
  810   2HD1  LEU 103          2HD1      LEU 103   4.198   6.401   0.736
  811   3HD1  LEU 103          3HD1      LEU 103   5.137   4.947   0.915
  812   1HD2  LEU 103          1HD2      LEU 103   4.659   4.088   3.615
  813   2HD2  LEU 103          2HD2      LEU 103   6.402   4.741   3.683
  814   3HD2  LEU 103          3HD2      LEU 103   5.163   5.266   4.843
  815    HA   PRO 104           HA       PRO 104   3.045  10.745   4.338
  816   1HB   PRO 104          1HB       PRO 104   5.461  12.333   5.143
  817   2HB   PRO 104          2HB       PRO 104   3.885  12.210   6.081
  818   1HG   PRO 104          1HG       PRO 104   6.192  10.704   6.789
  819   2HG   PRO 104          2HG       PRO 104   4.628   9.856   6.640
  820   1HD   PRO 104          1HD       PRO 104   6.856   9.824   4.503
  821   2HD   PRO 104          2HD       PRO 104   5.811   8.585   5.077
  822    H    THR 105           H        THR 105   5.761  12.192   2.559
  823    HA   THR 105           HA       THR 105   4.376  14.624   1.719
  824    HB   THR 105           HB       THR 105   6.746  13.405   0.380
  825    HG1  THR 105           1HG      THR 105   6.883  15.603   1.981
  826   1HG2  THR 105          1HG2      THR 105   7.222  15.602  -0.554
  827   2HG2  THR 105          2HG2      THR 105   5.482  15.556  -0.736
  828   3HG2  THR 105          3HG2      THR 105   6.222  16.446   0.556
  829    H    LEU 106           H        LEU 106   5.115  11.705  -0.098
  830    HA   LEU 106           HA       LEU 106   3.646  12.209  -2.541
  831   1HB   LEU 106          1HB       LEU 106   5.214  10.438  -2.360
  832   2HB   LEU 106          2HB       LEU 106   4.350   9.664  -1.112
  833    HG   LEU 106           HG       LEU 106   2.569   8.924  -2.626
  834   1HD1  LEU 106          1HD1      LEU 106   2.796   9.115  -4.983
  835   2HD1  LEU 106          2HD1      LEU 106   2.715  10.796  -4.324
  836   3HD1  LEU 106          3HD1      LEU 106   4.323  10.114  -4.961
  837   1HD2  LEU 106          1HD2      LEU 106   4.077   7.260  -4.013
  838   2HD2  LEU 106          2HD2      LEU 106   5.467   8.133  -3.361
  839   3HD2  LEU 106          3HD2      LEU 106   4.331   7.398  -2.231
  840    H    VAL 107           H        VAL 107   2.402  10.529   0.364
  841    HA   VAL 107           HA       VAL 107  -0.309  10.049  -0.601
  842    HB   VAL 107           HB       VAL 107   0.824   9.845   2.212
  843   1HG1  VAL 107          1HG1      VAL 107  -1.506  10.351   2.647
  844   2HG1  VAL 107          2HG1      VAL 107  -2.160   9.411   1.291
  845   3HG1  VAL 107          3HG1      VAL 107  -1.483   8.689   2.762
  846   1HG2  VAL 107          1HG2      VAL 107   0.304   7.353   1.732
  847   2HG2  VAL 107          2HG2      VAL 107  -0.478   7.921   0.300
  848   3HG2  VAL 107          3HG2      VAL 107   1.306   8.015   0.520
  849    H    ALA 108           H        ALA 108   0.995  12.673   1.530
  850    HA   ALA 108           HA       ALA 108  -1.330  14.129   1.859
  851   1HB   ALA 108          1HB       ALA 108  -0.039  16.146   2.105
  852   2HB   ALA 108          2HB       ALA 108   0.857  14.752   2.824
  853   3HB   ALA 108          3HB       ALA 108   1.393  15.368   1.244
  854    H    LYS 109           H        LYS 109   0.817  14.340  -0.833
  855    HA   LYS 109           HA       LYS 109  -0.530  16.169  -2.486
  856   1HB   LYS 109          1HB       LYS 109   0.976  13.771  -3.834
  857   2HB   LYS 109          2HB       LYS 109   0.531  15.300  -4.535
  858   1HG   LYS 109          1HG       LYS 109   2.240  16.405  -3.276
  859   2HG   LYS 109          2HG       LYS 109   2.416  14.968  -2.263
  860   1HD   LYS 109          1HD       LYS 109   3.279  13.780  -4.373
  861   2HD   LYS 109          2HD       LYS 109   3.221  15.346  -5.206
  862   1HE   LYS 109          1HE       LYS 109   4.784  16.333  -3.262
  863   2HE   LYS 109          2HE       LYS 109   5.093  14.629  -2.847
  864   1HZ   LYS 109          1HZ       LYS 109   5.541  15.704  -5.558
  865   2HZ   LYS 109          2HZ       LYS 109   6.635  15.465  -4.448
  866    H    HIS 110           H        HIS 110  -1.016  12.575  -2.288
  867    HA   HIS 110           HA       HIS 110  -2.995  12.263  -4.451
  868   1HB   HIS 110          1HB       HIS 110  -1.581  10.429  -2.530
  869   2HB   HIS 110          2HB       HIS 110  -2.937   9.714  -2.976
  870    HD1  HIS 110           1HD      HIS 110  -3.716   9.225  -5.385
  871    HD2  HIS 110           2HD      HIS 110   0.324  10.792  -4.983
  872    HE1  HIS 110           1HE      HIS 110  -2.724   9.867  -7.709
  873    H    ALA 111           H        ALA 111  -3.345  12.041  -1.071
  874    HA   ALA 111           HA       ALA 111  -6.278  11.669  -0.821
  875   1HB   ALA 111          1HB       ALA 111  -5.770  12.103   1.556
  876   2HB   ALA 111          2HB       ALA 111  -4.663  10.848   0.675
  877   3HB   ALA 111          3HB       ALA 111  -4.138  12.547   1.246
  878    H    THR 112           H        THR 112  -4.300  14.568  -0.316
  879    HA   THR 112           HA       THR 112  -6.623  16.412  -0.025
  880    HB   THR 112           HB       THR 112  -3.816  17.308  -0.479
  881    HG1  THR 112           1HG      THR 112  -4.120  17.418   2.018
  882   1HG2  THR 112          1HG2      THR 112  -5.388  19.180  -0.530
  883   2HG2  THR 112          2HG2      THR 112  -6.271  18.640   0.856
  884   3HG2  THR 112          3HG2      THR 112  -4.588  19.259   1.097
  885    H    ALA 113           H        ALA 113  -4.633  15.856  -2.973
  886    HA   ALA 113           HA       ALA 113  -6.233  17.155  -4.735
  887   1HB   ALA 113          1HB       ALA 113  -5.269  14.422  -5.155
  888   2HB   ALA 113          2HB       ALA 113  -5.912  15.305  -6.492
  889   3HB   ALA 113          3HB       ALA 113  -4.401  15.952  -5.707
  890    HXT  ALA 113           HO       ALA 113  -8.622  14.150  -3.783
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1 -14.467   7.584  16.747
    2   2H    ALA   1          2H        ALA   1 -13.731   8.382  17.970
    3    HA   ALA   1           HA       ALA   1 -11.576   8.172  16.818
    4   1HB   ALA   1          1HB       ALA   1 -11.272   5.721  17.320
    5   2HB   ALA   1          2HB       ALA   1 -12.262   6.460  18.611
    6   3HB   ALA   1          3HB       ALA   1 -13.031   5.540  17.302
    7    H    GLU   2           H        GLU   2 -10.990   8.403  14.691
    8    HA   GLU   2           HA       GLU   2 -12.079   6.777  12.372
    9   1HB   GLU   2          1HB       GLU   2 -13.539   8.968  13.184
   10   2HB   GLU   2          2HB       GLU   2 -12.066   9.875  12.734
   11   1HG   GLU   2          1HG       GLU   2 -12.235   9.374  10.371
   12   2HG   GLU   2          2HG       GLU   2 -13.224   8.031  10.522
   13    HE2  GLU   2           HE       GLU   2 -16.117  10.251  11.326
   14    H    GLU   3           H        GLU   3 -10.411   6.106  11.357
   15    HA   GLU   3           HA       GLU   3  -8.077   7.732  10.692
   16   1HB   GLU   3          1HB       GLU   3  -6.272   6.634  11.697
   17   2HB   GLU   3          2HB       GLU   3  -7.151   7.426  12.879
   18   1HG   GLU   3          1HG       GLU   3  -8.082   5.168  13.622
   19   2HG   GLU   3          2HG       GLU   3  -7.096   4.470  12.515
   20    HE2  GLU   3           HE       GLU   3  -5.348   5.824  15.878
   21    H    GLY   4           H        GLY   4  -6.342   6.382   9.632
   22   1HA   GLY   4          1HA       GLY   4  -7.188   4.194   7.749
   23   2HA   GLY   4          2HA       GLY   4  -5.646   4.878   7.846
   24    H    GLN   5           H        GLN   5  -5.797   2.276   7.665
   25    HA   GLN   5           HA       GLN   5  -4.766   1.211  10.273
   26   1HB   GLN   5          1HB       GLN   5  -6.435  -0.304  10.627
   27   2HB   GLN   5          2HB       GLN   5  -7.406   1.011  10.107
   28   1HG   GLN   5          1HG       GLN   5  -7.678   0.072   7.827
   29   2HG   GLN   5          2HG       GLN   5  -6.726  -1.332   8.182
   30   1HE2  GLN   5          1HE2      GLN   5  -7.352  -2.912   9.673
   31   2HE2  GLN   5          2HE2      GLN   5  -9.147  -2.836  10.424
   32    H    VAL   6           H        VAL   6  -3.158   0.092   9.813
   33    HA   VAL   6           HA       VAL   6  -2.326  -1.049   7.376
   34    HB   VAL   6           HB       VAL   6  -0.927  -0.827  10.008
   35   1HG1  VAL   6          1HG1      VAL   6   1.192  -1.541   8.925
   36   2HG1  VAL   6          2HG1      VAL   6   0.008  -2.748   8.766
   37   3HG1  VAL   6          3HG1      VAL   6   0.548  -1.662   7.369
   38   1HG2  VAL   6          1HG2      VAL   6  -0.614   0.844   7.385
   39   2HG2  VAL   6          2HG2      VAL   6  -1.280   1.385   8.919
   40   3HG2  VAL   6          3HG2      VAL   6   0.437   0.876   8.748
   41    H    ILE   7           H        ILE   7  -2.607  -3.005   6.697
   42    HA   ILE   7           HA       ILE   7  -3.533  -5.124   8.560
   43    HB   ILE   7           HB       ILE   7  -5.494  -3.804   7.571
   44   1HG1  ILE   7          1HG1      ILE   7  -5.816  -5.516   9.027
   45   2HG1  ILE   7          2HG1      ILE   7  -6.961  -5.444   7.625
   46   1HG2  ILE   7          1HG2      ILE   7  -5.083  -3.532   5.364
   47   2HG2  ILE   7          2HG2      ILE   7  -4.963  -5.293   5.067
   48   3HG2  ILE   7          3HG2      ILE   7  -6.541  -4.584   5.503
   49   1HD1  ILE   7          1HD1      ILE   7  -5.294  -7.317   6.575
   50   2HD1  ILE   7          2HD1      ILE   7  -4.784  -7.429   8.243
   51   3HD1  ILE   7          3HD1      ILE   7  -6.391  -7.943   7.791
   52    H    ALA   8           H        ALA   8  -2.564  -6.889   8.173
   53    HA   ALA   8           HA       ALA   8  -0.409  -7.445   6.203
   54   1HB   ALA   8          1HB       ALA   8  -0.216  -9.490   7.338
   55   2HB   ALA   8          2HB       ALA   8  -0.134  -8.172   8.456
   56   3HB   ALA   8          3HB       ALA   8  -1.623  -9.230   8.459
   57    H    CYS   9           H        CYS   9  -0.605  -8.582   4.548
   58    HA   CYS   9           HA       CYS   9  -2.957 -10.144   3.658
   59   1HB   CYS   9          1HB       CYS   9  -1.330  -7.958   2.267
   60   2HB   CYS   9          2HB       CYS   9  -2.250  -9.001   1.343
   61    HG   CYS   9           HG       CYS   9  -4.516  -8.945   3.031
   62    H    HIS  10           H        HIS  10  -2.638 -11.850   2.564
   63    HA   HIS  10           HA       HIS  10   0.033 -13.041   1.837
   64   1HB   HIS  10          1HB       HIS  10  -1.857 -14.575   3.848
   65   2HB   HIS  10          2HB       HIS  10  -0.366 -15.038   3.368
   66    HD1  HIS  10           1HD      HIS  10   1.899 -13.637   4.435
   67    HD2  HIS  10           2HD      HIS  10  -1.996 -13.094   6.064
   68    HE1  HIS  10           1HE      HIS  10   2.012 -12.341   6.772
   69    H    THR  11           H        THR  11  -3.383 -13.186   0.875
   70    HA   THR  11           HA       THR  11  -2.821 -15.691  -0.705
   71    HB   THR  11           HB       THR  11  -4.906 -16.796   0.060
   72    HG1  THR  11           1HG      THR  11  -4.498 -15.163   2.390
   73   1HG2  THR  11          1HG2      THR  11  -2.582 -17.562   0.737
   74   2HG2  THR  11          2HG2      THR  11  -2.733 -16.696   2.164
   75   3HG2  THR  11          3HG2      THR  11  -3.875 -18.069   1.853
   76    H    VAL  12           H        VAL  12  -5.152 -16.112  -1.899
   77    HA   VAL  12           HA       VAL  12  -6.325 -13.758  -3.125
   78    HB   VAL  12           HB       VAL  12  -6.658 -15.944  -4.179
   79   1HG1  VAL  12          1HG1      VAL  12  -8.791 -16.712  -2.078
   80   2HG1  VAL  12          2HG1      VAL  12  -8.147 -17.713  -3.388
   81   3HG1  VAL  12          3HG1      VAL  12  -7.111 -17.468  -1.975
   82   1HG2  VAL  12          1HG2      VAL  12  -8.509 -14.150  -4.576
   83   2HG2  VAL  12          2HG2      VAL  12  -8.761 -15.806  -5.022
   84   3HG2  VAL  12          3HG2      VAL  12  -9.552 -15.258  -3.565
   85    H    ASP  13           H        ASP  13  -6.916 -14.334  -0.010
   86    HA   ASP  13           HA       ASP  13  -9.363 -12.950   0.449
   87   1HB   ASP  13          1HB       ASP  13  -6.825 -13.347   2.284
   88   2HB   ASP  13          2HB       ASP  13  -8.464 -12.680   2.778
   89    HD2  ASP  13           HD       ASP  13 -10.249 -13.949   2.144
   90    H    THR  14           H        THR  14  -5.873 -11.681   0.598
   91    HA   THR  14           HA       THR  14  -6.684  -8.913   0.400
   92    HB   THR  14           HB       THR  14  -4.515  -9.533   0.961
   93    HG1  THR  14           1HG      THR  14  -3.482  -7.665  -0.249
   94   1HG2  THR  14          1HG2      THR  14  -3.844 -10.986  -1.050
   95   2HG2  THR  14          2HG2      THR  14  -3.856  -9.451  -2.038
   96   3HG2  THR  14          3HG2      THR  14  -2.689  -9.621  -0.830
   97    H    TRP  15           H        TRP  15  -6.940 -11.064  -2.156
   98    HA   TRP  15           HA       TRP  15  -7.276  -9.228  -4.489
   99   1HB   TRP  15          1HB       TRP  15  -7.943 -12.141  -4.125
  100   2HB   TRP  15          2HB       TRP  15  -8.821 -11.160  -5.271
  101    HD1  TRP  15           HD       TRP  15  -5.221 -12.347  -4.729
  102    HE1  TRP  15           1HE      TRP  15  -3.873 -11.996  -7.012
  103    HE3  TRP  15           3HE      TRP  15  -8.787  -9.930  -7.262
  104    HZ2  TRP  15           2HZ      TRP  15  -4.501 -10.907  -9.464
  105    HZ3  TRP  15           3HZ      TRP  15  -8.548  -9.475  -9.749
  106    HH2  TRP  15           HH       TRP  15  -6.348  -9.854 -10.794
  107    H    LYS  16           H        LYS  16  -9.358 -10.850  -2.120
  108    HA   LYS  16           HA       LYS  16 -11.880  -9.536  -2.572
  109   1HB   LYS  16          1HB       LYS  16 -11.154 -10.331   0.321
  110   2HB   LYS  16          2HB       LYS  16 -12.686  -9.929  -0.420
  111   1HG   LYS  16          1HG       LYS  16 -12.310 -11.775  -1.978
  112   2HG   LYS  16          2HG       LYS  16 -10.944 -12.341  -1.100
  113   1HD   LYS  16          1HD       LYS  16 -13.919 -12.045  -0.301
  114   2HD   LYS  16          2HD       LYS  16 -12.957 -13.555  -0.611
  115   1HE   LYS  16          1HE       LYS  16 -11.566 -13.151   1.307
  116   2HE   LYS  16          2HE       LYS  16 -12.544 -11.762   1.858
  117   1HZ   LYS  16          1HZ       LYS  16 -14.445 -13.319   1.928
  118   2HZ   LYS  16          2HZ       LYS  16 -13.540 -14.576   1.650
  119    H    GLU  17           H        GLU  17  -9.215  -8.547  -0.316
  120    HA   GLU  17           HA       GLU  17 -10.361  -5.976   0.481
  121   1HB   GLU  17          1HB       GLU  17  -7.415  -7.016   0.676
  122   2HB   GLU  17          2HB       GLU  17  -8.000  -5.689   1.457
  123   1HG   GLU  17          1HG       GLU  17  -9.542  -7.021   2.895
  124   2HG   GLU  17          2HG       GLU  17  -9.195  -8.450   2.030
  125    HE2  GLU  17           HE       GLU  17  -6.599  -9.319   4.038
  126    H    HIS  18           H        HIS  18  -7.602  -6.432  -1.690
  127    HA   HIS  18           HA       HIS  18  -7.072  -3.678  -2.093
  128   1HB   HIS  18          1HB       HIS  18  -5.383  -5.279  -2.279
  129   2HB   HIS  18          2HB       HIS  18  -6.079  -6.160  -3.606
  130    HD1  HIS  18           1HD      HIS  18  -6.440  -4.008  -6.023
  131    HD2  HIS  18           2HD      HIS  18  -3.248  -4.327  -3.220
  132    HE1  HIS  18           1HE      HIS  18  -4.366  -3.052  -6.921
  133    H    PHE  19           H        PHE  19  -8.459  -5.903  -4.351
  134    HA   PHE  19           HA       PHE  19  -9.337  -4.046  -6.314
  135   1HB   PHE  19          1HB       PHE  19  -9.062  -6.776  -6.445
  136   2HB   PHE  19          2HB       PHE  19 -10.691  -6.843  -6.070
  137    HD1  PHE  19           1HD      PHE  19 -12.485  -5.588  -7.599
  138    HD2  PHE  19           2HD      PHE  19  -8.306  -6.262  -8.673
  139    HE1  PHE  19           1HE      PHE  19 -12.979  -5.562  -9.964
  140    HE2  PHE  19           2HE      PHE  19  -8.805  -6.138 -11.035
  141    HZ   PHE  19           HZ       PHE  19 -11.237  -5.837 -11.727
  142    H    GLU  20           H        GLU  20 -11.385  -5.435  -3.926
  143    HA   GLU  20           HA       GLU  20 -13.876  -4.286  -4.889
  144   1HB   GLU  20          1HB       GLU  20 -13.870  -5.408  -2.020
  145   2HB   GLU  20          2HB       GLU  20 -15.164  -5.260  -3.082
  146   1HG   GLU  20          1HG       GLU  20 -13.061  -7.457  -3.595
  147   2HG   GLU  20          2HG       GLU  20 -14.606  -7.701  -2.685
  148    HE2  GLU  20           HE       GLU  20 -16.298  -8.081  -5.629
  149    H    LYS  21           H        LYS  21 -11.939  -3.634  -1.920
  150    HA   LYS  21           HA       LYS  21 -13.199  -1.201  -1.321
  151   1HB   LYS  21          1HB       LYS  21 -10.225  -1.725  -0.790
  152   2HB   LYS  21          2HB       LYS  21 -10.976  -0.243  -0.262
  153   1HG   LYS  21          1HG       LYS  21 -11.718  -3.076   0.701
  154   2HG   LYS  21          2HG       LYS  21 -10.692  -2.075   1.461
  155   1HD   LYS  21          1HD       LYS  21 -12.624  -0.321   1.920
  156   2HD   LYS  21          2HD       LYS  21 -13.659  -1.457   1.008
  157   1HE   LYS  21          1HE       LYS  21 -14.035  -1.854   3.476
  158   2HE   LYS  21          2HE       LYS  21 -13.490  -3.338   2.719
  159   1HZ   LYS  21          1HZ       LYS  21 -11.618  -3.291   3.843
  160   2HZ   LYS  21          2HZ       LYS  21 -11.323  -1.745   3.953
  161    H    GLY  22           H        GLY  22 -10.207  -1.539  -3.088
  162   1HA   GLY  22          1HA       GLY  22  -9.576   1.065  -4.051
  163   2HA   GLY  22          2HA       GLY  22  -9.228  -0.373  -5.031
  164    H    LYS  23           H        LYS  23 -10.844  -0.989  -6.685
  165    HA   LYS  23           HA       LYS  23 -12.654   0.974  -7.941
  166   1HB   LYS  23          1HB       LYS  23 -11.230  -0.664  -9.349
  167   2HB   LYS  23          2HB       LYS  23 -12.361  -1.921  -8.715
  168   1HG   LYS  23          1HG       LYS  23 -14.396  -0.270  -9.598
  169   2HG   LYS  23          2HG       LYS  23 -13.128   0.267 -10.688
  170   1HD   LYS  23          1HD       LYS  23 -13.757  -2.658 -10.225
  171   2HD   LYS  23          2HD       LYS  23 -14.560  -1.696 -11.478
  172   1HE   LYS  23          1HE       LYS  23 -11.723  -2.527 -11.311
  173   2HE   LYS  23          2HE       LYS  23 -12.865  -3.115 -12.401
  174   1HZ   LYS  23          1HZ       LYS  23 -12.971  -0.817 -13.467
  175   2HZ   LYS  23          2HZ       LYS  23 -11.907  -0.211 -12.270
  176    H    GLY  24           H        GLY  24 -14.206   1.175  -6.645
  177   1HA   GLY  24          1HA       GLY  24 -16.486   0.061  -6.677
  178   2HA   GLY  24          2HA       GLY  24 -15.932  -0.953  -5.223
  179    H    SER  25           H        SER  25 -14.573   0.826  -4.126
  180    HA   SER  25           HA       SER  25 -16.663   2.047  -2.251
  181   1HB   SER  25          1HB       SER  25 -14.040   0.884  -1.269
  182   2HB   SER  25          2HB       SER  25 -15.191   1.696  -0.290
  183    HG   SER  25           HG       SER  25 -15.134  -0.734  -0.659
  184    H    GLN  26           H        GLN  26 -16.490   3.859  -2.718
  185    HA   GLN  26           HA       GLN  26 -14.541   5.724  -3.640
  186   1HB   GLN  26          1HB       GLN  26 -16.913   6.568  -1.963
  187   2HB   GLN  26          2HB       GLN  26 -15.768   7.659  -2.668
  188   1HG   GLN  26          1HG       GLN  26 -17.353   7.847  -4.248
  189   2HG   GLN  26          2HG       GLN  26 -16.101   6.897  -4.975
  190   1HE2  GLN  26          1HE2      GLN  26 -16.574   4.698  -5.457
  191   2HE2  GLN  26          2HE2      GLN  26 -18.288   4.009  -5.289
  192    H    LYS  27           H        LYS  27 -12.791   4.846  -2.414
  193    HA   LYS  27           HA       LYS  27 -11.625   6.790  -0.402
  194   1HB   LYS  27          1HB       LYS  27 -10.829   4.958   0.936
  195   2HB   LYS  27          2HB       LYS  27 -12.598   5.107   0.980
  196   1HG   LYS  27          1HG       LYS  27 -12.844   3.033  -0.225
  197   2HG   LYS  27          2HG       LYS  27 -11.085   2.972  -0.579
  198   1HD   LYS  27          1HD       LYS  27 -11.418   1.585   1.376
  199   2HD   LYS  27          2HD       LYS  27 -10.775   2.970   2.120
  200   1HE   LYS  27          1HE       LYS  27 -13.200   3.765   2.896
  201   2HE   LYS  27          2HE       LYS  27 -13.723   2.238   2.188
  202   1HZ   LYS  27          1HZ       LYS  27 -13.229   1.754   4.640
  203   2HZ   LYS  27          2HZ       LYS  27 -12.068   0.986   3.854
  204    H    LEU  28           H        LEU  28  -9.394   6.291  -0.128
  205    HA   LEU  28           HA       LEU  28  -7.988   5.615  -2.716
  206   1HB   LEU  28          1HB       LEU  28  -7.663   7.961  -1.959
  207   2HB   LEU  28          2HB       LEU  28  -7.422   7.570  -0.396
  208    HG   LEU  28           HG       LEU  28  -5.166   6.345  -1.011
  209   1HD1  LEU  28          1HD1      LEU  28  -4.306   6.900  -3.572
  210   2HD1  LEU  28          2HD1      LEU  28  -5.543   5.678  -3.221
  211   3HD1  LEU  28          3HD1      LEU  28  -5.931   7.299  -3.831
  212   1HD2  LEU  28          1HD2      LEU  28  -5.253   9.084  -2.112
  213   2HD2  LEU  28          2HD2      LEU  28  -4.957   8.833  -0.413
  214   3HD2  LEU  28          3HD2      LEU  28  -3.769   8.513  -1.563
  215    H    ILE  29           H        ILE  29  -6.214   4.050  -2.351
  216    HA   ILE  29           HA       ILE  29  -5.674   2.826   0.252
  217    HB   ILE  29           HB       ILE  29  -5.940   0.519  -0.428
  218   1HG1  ILE  29          1HG1      ILE  29  -6.660   1.160  -3.204
  219   2HG1  ILE  29          2HG1      ILE  29  -5.028   0.777  -2.813
  220   1HG2  ILE  29          1HG2      ILE  29  -8.377   0.193  -0.931
  221   2HG2  ILE  29          2HG2      ILE  29  -8.226   1.687   0.040
  222   3HG2  ILE  29          3HG2      ILE  29  -8.460   1.782  -1.724
  223   1HD1  ILE  29          1HD1      ILE  29  -5.761  -1.598  -2.004
  224   2HD1  ILE  29          2HD1      ILE  29  -7.421  -1.003  -2.360
  225   3HD1  ILE  29          3HD1      ILE  29  -6.173  -1.328  -3.631
  226    H    VAL  30           H        VAL  30  -3.674   2.261   0.359
  227    HA   VAL  30           HA       VAL  30  -1.642   2.903  -1.772
  228    HB   VAL  30           HB       VAL  30  -1.565   4.158   0.996
  229   1HG1  VAL  30          1HG1      VAL  30   0.725   3.672   0.112
  230   2HG1  VAL  30          2HG1      VAL  30   0.499   4.401  -1.292
  231   3HG1  VAL  30          3HG1      VAL  30   0.575   5.319   0.304
  232   1HG2  VAL  30          1HG2      VAL  30  -1.743   6.271  -0.105
  233   2HG2  VAL  30          2HG2      VAL  30  -2.053   5.481  -1.652
  234   3HG2  VAL  30          3HG2      VAL  30  -3.120   5.248  -0.233
  235    H    VAL  31           H        VAL  31   0.005   1.327  -1.589
  236    HA   VAL  31           HA       VAL  31  -0.374  -0.963   0.321
  237    HB   VAL  31           HB       VAL  31  -2.024  -1.392  -0.957
  238   1HG1  VAL  31          1HG1      VAL  31  -0.239  -0.905  -3.423
  239   2HG1  VAL  31          2HG1      VAL  31  -1.411  -2.160  -3.512
  240   3HG1  VAL  31          3HG1      VAL  31  -1.887  -0.511  -3.265
  241   1HG2  VAL  31          1HG2      VAL  31  -1.546  -3.717  -1.728
  242   2HG2  VAL  31          2HG2      VAL  31   0.199  -3.496  -1.758
  243   3HG2  VAL  31          3HG2      VAL  31  -0.660  -3.501  -0.292
  244    H    ASP  32           H        ASP  32   1.421  -1.396   0.968
  245    HA   ASP  32           HA       ASP  32   3.943  -1.549  -0.612
  246   1HB   ASP  32          1HB       ASP  32   3.591  -1.355   2.161
  247   2HB   ASP  32          2HB       ASP  32   3.470  -3.080   2.076
  248    HD2  ASP  32           HD       ASP  32   7.206  -2.270   0.643
  249    H    PHE  33           H        PHE  33   4.664  -3.069  -1.756
  250    HA   PHE  33           HA       PHE  33   4.183  -6.030  -1.530
  251   1HB   PHE  33          1HB       PHE  33   4.863  -4.098  -3.922
  252   2HB   PHE  33          2HB       PHE  33   4.817  -5.966  -4.125
  253    HD1  PHE  33           1HD      PHE  33   2.678  -7.198  -3.518
  254    HD2  PHE  33           2HD      PHE  33   2.699  -2.926  -4.153
  255    HE1  PHE  33           1HE      PHE  33   0.052  -7.107  -3.916
  256    HE2  PHE  33           2HE      PHE  33   0.277  -3.047  -4.689
  257    HZ   PHE  33           HZ       PHE  33  -0.942  -5.053  -4.477
  258    H    THR  34           H        THR  34   5.942  -6.937  -0.775
  259    HA   THR  34           HA       THR  34   8.656  -5.888  -0.806
  260    HB   THR  34           HB       THR  34   7.476  -4.410   0.990
  261    HG1  THR  34           1HG      THR  34   9.197  -5.959   2.257
  262   1HG2  THR  34          1HG2      THR  34   7.411  -6.670   2.909
  263   2HG2  THR  34          2HG2      THR  34   6.878  -5.009   3.045
  264   3HG2  THR  34          3HG2      THR  34   5.964  -6.039   2.023
  265    H    ALA  35           H        ALA  35   9.861  -7.419   0.127
  266    HA   ALA  35           HA       ALA  35   8.976 -10.095   0.610
  267   1HB   ALA  35          1HB       ALA  35  11.611 -10.076   0.918
  268   2HB   ALA  35          2HB       ALA  35  10.877 -10.037  -0.686
  269   3HB   ALA  35          3HB       ALA  35  11.493  -8.579   0.165
  270    H    SER  36           H        SER  36   8.847 -10.871   2.696
  271    HA   SER  36           HA       SER  36   8.903  -9.291   5.108
  272   1HB   SER  36          1HB       SER  36   7.813 -11.373   5.182
  273   2HB   SER  36          2HB       SER  36   9.349 -12.230   5.125
  274    HG   SER  36           HG       SER  36   8.472 -10.666   7.228
  275    H    TRP  37           H        TRP  37  11.409 -10.988   3.800
  276    HA   TRP  37           HA       TRP  37  13.459 -10.189   5.845
  277   1HB   TRP  37          1HB       TRP  37  15.056 -11.167   4.238
  278   2HB   TRP  37          2HB       TRP  37  13.851 -12.326   4.876
  279    HD1  TRP  37           HD       TRP  37  11.818 -13.098   2.754
  280    HE1  TRP  37           1HE      TRP  37  11.952 -12.943   0.033
  281    HE3  TRP  37           3HE      TRP  37  16.354 -10.440   2.225
  282    HZ2  TRP  37           2HZ      TRP  37  13.722 -12.078  -1.726
  283    HZ3  TRP  37           3HZ      TRP  37  17.056  -9.975  -0.051
  284    HH2  TRP  37           HH       TRP  37  15.892 -10.813  -1.993
  285    H    CYS  38           H        CYS  38  12.965  -7.951   5.899
  286    HA   CYS  38           HA       CYS  38  15.039  -6.355   4.265
  287   1HB   CYS  38          1HB       CYS  38  12.858  -6.345   2.736
  288   2HB   CYS  38          2HB       CYS  38  11.900  -5.596   4.003
  289    HG   CYS  38           HG       CYS  38  14.784  -4.432   2.644
  290    HA   PRO  39           HA       PRO  39  15.145  -4.495   8.495
  291   1HB   PRO  39          1HB       PRO  39  17.758  -3.542   7.605
  292   2HB   PRO  39          2HB       PRO  39  17.256  -4.227   9.123
  293   1HG   PRO  39          1HG       PRO  39  18.470  -5.982   7.348
  294   2HG   PRO  39          2HG       PRO  39  17.176  -6.595   8.334
  295   1HD   PRO  39          1HD       PRO  39  17.155  -5.987   5.406
  296   2HD   PRO  39          2HD       PRO  39  16.302  -7.272   6.533
  297    HA   PRO  40           HA       PRO  40  15.141  -0.127   6.106
  298   1HB   PRO  40          1HB       PRO  40  14.426  -1.454   3.538
  299   2HB   PRO  40          2HB       PRO  40  15.219   0.155   3.710
  300   1HG   PRO  40          1HG       PRO  40  16.750  -1.849   3.112
  301   2HG   PRO  40          2HG       PRO  40  17.241  -0.584   4.379
  302   1HD   PRO  40          1HD       PRO  40  16.341  -3.511   4.596
  303   2HD   PRO  40          2HD       PRO  40  17.543  -2.501   5.706
  304    H    CYS  41           H        CYS  41  12.916  -2.738   4.909
  305    HA   CYS  41           HA       CYS  41  10.534  -1.090   5.406
  306   1HB   CYS  41          1HB       CYS  41  10.550  -3.969   4.570
  307   2HB   CYS  41          2HB       CYS  41   9.184  -2.940   4.532
  308    HG   CYS  41           HG       CYS  41   9.744  -1.559   2.377
  309    H    LYS  42           H        LYS  42  12.248  -3.343   7.333
  310    HA   LYS  42           HA       LYS  42  10.247  -3.449   9.451
  311   1HB   LYS  42          1HB       LYS  42  12.592  -4.874   9.328
  312   2HB   LYS  42          2HB       LYS  42  13.170  -3.386  10.248
  313   1HG   LYS  42          1HG       LYS  42  11.175  -3.846  11.894
  314   2HG   LYS  42          2HG       LYS  42  11.073  -5.376  11.081
  315   1HD   LYS  42          1HD       LYS  42  13.650  -5.875  11.893
  316   2HD   LYS  42          2HD       LYS  42  13.616  -4.292  12.480
  317   1HE   LYS  42          1HE       LYS  42  13.267  -5.982  14.206
  318   2HE   LYS  42          2HE       LYS  42  11.788  -4.963  14.230
  319   1HZ   LYS  42          1HZ       LYS  42  12.004  -7.416  12.784
  320   2HZ   LYS  42          2HZ       LYS  42  11.716  -7.505  14.353
  321    H    MET  43           H        MET  43  12.444  -0.944   8.827
  322    HA   MET  43           HA       MET  43  11.320   0.776  11.015
  323   1HB   MET  43          1HB       MET  43  12.490   2.638  10.544
  324   2HB   MET  43          2HB       MET  43  13.600   1.321  10.504
  325   1HG   MET  43          1HG       MET  43  13.585   1.402   7.910
  326   2HG   MET  43          2HG       MET  43  12.572   2.771   7.932
  327   1HE   MET  43          1HE       MET  43  15.501   5.035   7.365
  328   2HE   MET  43          2HE       MET  43  15.858   3.374   6.765
  329   3HE   MET  43          3HE       MET  43  14.305   3.979   6.630
  330    H    ILE  44           H        ILE  44  10.894   0.911   7.402
  331    HA   ILE  44           HA       ILE  44   8.737   2.588   7.351
  332    HB   ILE  44           HB       ILE  44  10.046   1.356   5.233
  333   1HG1  ILE  44          1HG1      ILE  44   8.448   2.574   3.713
  334   2HG1  ILE  44          2HG1      ILE  44   7.508   3.142   5.049
  335   1HG2  ILE  44          1HG2      ILE  44   7.275   0.348   4.823
  336   2HG2  ILE  44          2HG2      ILE  44   8.788  -0.077   3.998
  337   3HG2  ILE  44          3HG2      ILE  44   8.439  -0.744   5.478
  338   1HD1  ILE  44          1HD1      ILE  44   9.304   4.418   6.208
  339   2HD1  ILE  44          2HD1      ILE  44  10.355   3.745   4.937
  340   3HD1  ILE  44          3HD1      ILE  44   9.113   4.889   4.454
  341    H    ALA  45           H        ALA  45   8.170  -0.660   8.451
  342    HA   ALA  45           HA       ALA  45   5.257  -0.454   8.160
  343   1HB   ALA  45          1HB       ALA  45   7.112  -2.304   9.847
  344   2HB   ALA  45          2HB       ALA  45   5.303  -2.430   9.758
  345   3HB   ALA  45          3HB       ALA  45   6.399  -2.716   8.346
  346    HA   PRO  46           HA       PRO  46   5.270   1.595  12.682
  347   1HB   PRO  46          1HB       PRO  46   8.157   2.583  12.726
  348   2HB   PRO  46          2HB       PRO  46   7.018   2.215  14.052
  349   1HG   PRO  46          1HG       PRO  46   8.984   0.472  13.252
  350   2HG   PRO  46          2HG       PRO  46   7.432  -0.105  13.889
  351   1HD   PRO  46          1HD       PRO  46   8.394  -0.108  11.020
  352   2HD   PRO  46          2HD       PRO  46   7.178  -1.188  11.838
  353    H    ILE  47           H        ILE  47   7.414   3.144  10.046
  354    HA   ILE  47           HA       ILE  47   6.064   5.679  10.288
  355    HB   ILE  47           HB       ILE  47   7.531   4.433   7.949
  356   1HG1  ILE  47          1HG1      ILE  47   9.045   4.712   9.801
  357   2HG1  ILE  47          2HG1      ILE  47   9.457   5.971   8.516
  358   1HG2  ILE  47          1HG2      ILE  47   5.789   6.295   7.152
  359   2HG2  ILE  47          2HG2      ILE  47   6.882   7.388   7.838
  360   3HG2  ILE  47          3HG2      ILE  47   7.478   6.414   6.562
  361   1HD1  ILE  47          1HD1      ILE  47   9.558   6.861  10.737
  362   2HD1  ILE  47          2HD1      ILE  47   8.114   7.712   9.905
  363   3HD1  ILE  47          3HD1      ILE  47   7.885   6.396  11.094
  364    H    PHE  48           H        PHE  48   5.159   3.094   8.265
  365    HA   PHE  48           HA       PHE  48   2.913   4.386   6.885
  366   1HB   PHE  48          1HB       PHE  48   4.331   2.335   6.153
  367   2HB   PHE  48          2HB       PHE  48   3.389   1.369   7.464
  368    HD1  PHE  48           1HD      PHE  48   2.391  -0.229   6.280
  369    HD2  PHE  48           2HD      PHE  48   2.426   3.658   4.588
  370    HE1  PHE  48           1HE      PHE  48   1.074  -1.106   4.283
  371    HE2  PHE  48           2HE      PHE  48   1.492   2.713   2.455
  372    HZ   PHE  48           HZ       PHE  48   0.798   0.475   2.394
  373    H    ALA  49           H        ALA  49   3.045   2.570  10.110
  374    HA   ALA  49           HA       ALA  49   0.284   2.609  10.789
  375   1HB   ALA  49          1HB       ALA  49   2.006   1.123  11.675
  376   2HB   ALA  49          2HB       ALA  49   2.641   2.432  12.756
  377   3HB   ALA  49          3HB       ALA  49   0.930   1.869  12.937
  378    H    GLU  50           H        GLU  50   3.072   4.814  11.764
  379    HA   GLU  50           HA       GLU  50   1.529   6.768  13.315
  380   1HB   GLU  50          1HB       GLU  50   4.031   6.470  13.268
  381   2HB   GLU  50          2HB       GLU  50   4.199   6.798  11.709
  382   1HG   GLU  50          1HG       GLU  50   2.995   9.153  13.435
  383   2HG   GLU  50          2HG       GLU  50   4.701   8.760  13.774
  384    HE2  GLU  50           HE       GLU  50   3.565  10.930  10.684
  385    H    LEU  51           H        LEU  51   2.760   7.013   9.848
  386    HA   LEU  51           HA       LEU  51   1.213   9.076   8.815
  387   1HB   LEU  51          1HB       LEU  51   3.114   7.997   7.759
  388   2HB   LEU  51          2HB       LEU  51   2.403   6.412   7.766
  389    HG   LEU  51           HG       LEU  51   2.733   7.825   5.566
  390   1HD1  LEU  51          1HD1      LEU  51   0.000   6.575   5.790
  391   2HD1  LEU  51          2HD1      LEU  51   1.170   6.265   4.465
  392   3HD1  LEU  51          3HD1      LEU  51   1.288   5.541   6.087
  393   1HD2  LEU  51          1HD2      LEU  51   1.065   9.784   6.541
  394   2HD2  LEU  51          2HD2      LEU  51   0.921   9.401   4.870
  395   3HD2  LEU  51          3HD2      LEU  51  -0.258   8.781   6.039
  396    H    ALA  52           H        ALA  52   0.060   5.834   9.310
  397    HA   ALA  52           HA       ALA  52  -2.672   6.145   8.217
  398   1HB   ALA  52          1HB       ALA  52  -1.656   4.024   8.332
  399   2HB   ALA  52          2HB       ALA  52  -1.624   3.943  10.091
  400   3HB   ALA  52          3HB       ALA  52  -3.170   3.905   9.291
  401    H    LYS  53           H        LYS  53  -1.349   6.628  11.415
  402    HA   LYS  53           HA       LYS  53  -3.844   7.423  12.743
  403   1HB   LYS  53          1HB       LYS  53  -0.933   7.813  13.540
  404   2HB   LYS  53          2HB       LYS  53  -2.213   8.680  14.320
  405   1HG   LYS  53          1HG       LYS  53  -3.250   6.325  14.928
  406   2HG   LYS  53          2HG       LYS  53  -1.760   5.629  14.295
  407   1HD   LYS  53          1HD       LYS  53  -2.068   7.694  16.542
  408   2HD   LYS  53          2HD       LYS  53  -1.920   6.089  17.012
  409   1HE   LYS  53          1HE       LYS  53   0.540   5.948  16.085
  410   2HE   LYS  53          2HE       LYS  53   0.269   7.696  15.582
  411   1HZ   LYS  53          1HZ       LYS  53   0.073   6.907  18.522
  412   2HZ   LYS  53          2HZ       LYS  53   1.496   7.261  17.838
  413    H    LYS  54           H        LYS  54  -1.590   9.046  10.631
  414    HA   LYS  54           HA       LYS  54  -2.505  11.798  11.126
  415   1HB   LYS  54          1HB       LYS  54  -0.189  11.181  10.747
  416   2HB   LYS  54          2HB       LYS  54  -0.505  10.789   9.120
  417   1HG   LYS  54          1HG       LYS  54  -1.397  13.106   8.719
  418   2HG   LYS  54          2HG       LYS  54  -1.169  13.502  10.349
  419   1HD   LYS  54          1HD       LYS  54   1.074  12.453   8.272
  420   2HD   LYS  54          2HD       LYS  54   0.844  14.199   8.572
  421   1HE   LYS  54          1HE       LYS  54   1.537  14.159  10.812
  422   2HE   LYS  54          2HE       LYS  54   1.667  12.374  10.948
  423   1HZ   LYS  54          1HZ       LYS  54   3.251  13.811   8.868
  424   2HZ   LYS  54          2HZ       LYS  54   3.844  13.309  10.433
  425    H    PHE  55           H        PHE  55  -3.377   9.272   8.949
  426    HA   PHE  55           HA       PHE  55  -4.991  10.958   7.097
  427   1HB   PHE  55          1HB       PHE  55  -2.738   9.028   6.794
  428   2HB   PHE  55          2HB       PHE  55  -3.895   8.866   5.652
  429    HD1  PHE  55           1HD      PHE  55  -4.734  11.130   4.437
  430    HD2  PHE  55           2HD      PHE  55  -0.995  10.796   6.649
  431    HE1  PHE  55           1HE      PHE  55  -3.787  13.315   3.478
  432    HE2  PHE  55           2HE      PHE  55  -0.413  13.084   5.825
  433    HZ   PHE  55           HZ       PHE  55  -1.666  14.202   4.224
  434    HA   PRO  56           HA       PRO  56  -8.372   7.887   8.307
  435   1HB   PRO  56          1HB       PRO  56 -10.509   9.470   8.387
  436   2HB   PRO  56          2HB       PRO  56  -9.326   9.145   9.716
  437   1HG   PRO  56          1HG       PRO  56  -9.253  11.282   7.508
  438   2HG   PRO  56          2HG       PRO  56  -9.080  11.686   9.289
  439   1HD   PRO  56          1HD       PRO  56  -6.985  11.615   7.497
  440   2HD   PRO  56          2HD       PRO  56  -6.811  11.029   9.220
  441    H    ASN  57           H        ASN  57  -7.964   9.242   5.202
  442    HA   ASN  57           HA       ASN  57 -10.575   8.483   4.103
  443   1HB   ASN  57          1HB       ASN  57 -10.230   9.985   2.216
  444   2HB   ASN  57          2HB       ASN  57  -9.837  10.881   3.647
  445   1HD2  ASN  57          1HD2      ASN  57  -7.742  11.688   3.922
  446   2HD2  ASN  57          2HD2      ASN  57  -6.530  11.599   2.576
  447    H    VAL  58           H        VAL  58  -7.714   7.283   4.583
  448    HA   VAL  58           HA       VAL  58  -7.409   5.696   2.035
  449    HB   VAL  58           HB       VAL  58  -6.251   7.747   1.886
  450   1HG1  VAL  58          1HG1      VAL  58  -4.814   7.026   4.463
  451   2HG1  VAL  58          2HG1      VAL  58  -4.259   8.344   3.457
  452   3HG1  VAL  58          3HG1      VAL  58  -5.815   8.470   4.333
  453   1HG2  VAL  58          1HG2      VAL  58  -4.001   6.836   1.439
  454   2HG2  VAL  58          2HG2      VAL  58  -4.293   5.482   2.500
  455   3HG2  VAL  58          3HG2      VAL  58  -5.251   5.663   1.017
  456    H    THR  59           H        THR  59  -7.879   3.738   2.630
  457    HA   THR  59           HA       THR  59  -6.668   2.170   4.821
  458    HB   THR  59           HB       THR  59  -7.937   1.534   2.121
  459    HG1  THR  59           1HG      THR  59  -8.805   0.319   4.301
  460   1HG2  THR  59          1HG2      THR  59  -8.058  -0.832   2.316
  461   2HG2  THR  59          2HG2      THR  59  -6.241  -0.504   2.247
  462   3HG2  THR  59          3HG2      THR  59  -6.988  -0.785   3.794
  463    H    PHE  60           H        PHE  60  -5.094   0.538   4.822
  464    HA   PHE  60           HA       PHE  60  -2.938   0.960   2.922
  465   1HB   PHE  60          1HB       PHE  60  -2.441   1.182   6.068
  466   2HB   PHE  60          2HB       PHE  60  -1.269   1.204   4.778
  467    HD1  PHE  60           1HD      PHE  60  -0.751   2.991   3.265
  468    HD2  PHE  60           2HD      PHE  60  -3.592   3.416   6.476
  469    HE1  PHE  60           1HE      PHE  60  -0.912   5.348   2.867
  470    HE2  PHE  60           2HE      PHE  60  -3.650   5.847   6.069
  471    HZ   PHE  60           HZ       PHE  60  -2.349   6.847   4.324
  472    H    LEU  61           H        LEU  61  -1.998  -0.808   2.577
  473    HA   LEU  61           HA       LEU  61  -2.332  -3.196   4.308
  474   1HB   LEU  61          1HB       LEU  61  -3.843  -4.431   3.189
  475   2HB   LEU  61          2HB       LEU  61  -4.304  -2.747   2.651
  476    HG   LEU  61           HG       LEU  61  -2.729  -2.974   0.578
  477   1HD1  LEU  61          1HD1      LEU  61  -3.418  -6.092   1.009
  478   2HD1  LEU  61          2HD1      LEU  61  -2.641  -5.205  -0.277
  479   3HD1  LEU  61          3HD1      LEU  61  -1.904  -5.232   1.367
  480   1HD2  LEU  61          1HD2      LEU  61  -5.384  -2.899   0.748
  481   2HD2  LEU  61          2HD2      LEU  61  -4.793  -3.745  -0.658
  482   3HD2  LEU  61          3HD2      LEU  61  -5.403  -4.657   0.804
  483    H    LYS  62           H        LYS  62  -0.995  -4.886   3.647
  484    HA   LYS  62           HA       LYS  62   1.609  -4.328   2.262
  485   1HB   LYS  62          1HB       LYS  62   3.344  -4.464   3.857
  486   2HB   LYS  62          2HB       LYS  62   2.245  -3.185   4.456
  487   1HG   LYS  62          1HG       LYS  62   1.154  -5.228   5.831
  488   2HG   LYS  62          2HG       LYS  62   2.657  -5.943   5.515
  489   1HD   LYS  62          1HD       LYS  62   3.931  -4.289   6.613
  490   2HD   LYS  62          2HD       LYS  62   2.605  -3.094   6.675
  491   1HE   LYS  62          1HE       LYS  62   1.443  -4.933   8.330
  492   2HE   LYS  62          2HE       LYS  62   2.882  -5.916   8.230
  493   1HZ   LYS  62          1HZ       LYS  62   2.787  -4.354  10.056
  494   2HZ   LYS  62          2HZ       LYS  62   2.711  -3.053   9.026
  495    H    VAL  63           H        VAL  63   1.860  -5.758   1.036
  496    HA   VAL  63           HA       VAL  63   0.991  -8.556   1.391
  497    HB   VAL  63           HB       VAL  63   1.645  -6.897  -1.021
  498   1HG1  VAL  63          1HG1      VAL  63   1.010  -8.990  -2.529
  499   2HG1  VAL  63          2HG1      VAL  63   2.642  -9.154  -1.660
  500   3HG1  VAL  63          3HG1      VAL  63   1.189 -10.063  -1.174
  501   1HG2  VAL  63          1HG2      VAL  63  -0.505  -6.674  -0.337
  502   2HG2  VAL  63          2HG2      VAL  63  -0.659  -7.635  -1.822
  503   3HG2  VAL  63          3HG2      VAL  63  -0.850  -8.334  -0.214
  504    H    ASP  64           H        ASP  64   2.262  -9.993   1.934
  505    HA   ASP  64           HA       ASP  64   5.236  -9.795   1.652
  506   1HB   ASP  64          1HB       ASP  64   4.193 -11.015   3.609
  507   2HB   ASP  64          2HB       ASP  64   3.408 -12.173   2.573
  508    HD2  ASP  64           HD       ASP  64   6.227 -13.766   3.783
  509    H    VAL  65           H        VAL  65   5.999  -9.804  -0.328
  510    HA   VAL  65           HA       VAL  65   5.075 -11.014  -2.656
  511    HB   VAL  65           HB       VAL  65   7.072  -9.160  -2.300
  512   1HG1  VAL  65          1HG1      VAL  65   9.173  -9.849  -2.627
  513   2HG1  VAL  65          2HG1      VAL  65   8.814 -11.054  -1.538
  514   3HG1  VAL  65          3HG1      VAL  65   8.743 -11.600  -3.034
  515   1HG2  VAL  65          1HG2      VAL  65   6.725 -10.855  -4.769
  516   2HG2  VAL  65          2HG2      VAL  65   5.947  -9.274  -4.404
  517   3HG2  VAL  65          3HG2      VAL  65   7.725  -9.387  -4.611
  518    H    ASP  66           H        ASP  66   7.274 -12.303  -0.455
  519    HA   ASP  66           HA       ASP  66   7.776 -14.880  -1.701
  520   1HB   ASP  66          1HB       ASP  66   7.581 -14.402   1.331
  521   2HB   ASP  66          2HB       ASP  66   7.927 -15.900   0.779
  522    HD2  ASP  66           HD       ASP  66  11.037 -14.618   1.745
  523    H    GLU  67           H        GLU  67   5.008 -14.162   0.289
  524    HA   GLU  67           HA       GLU  67   3.425 -16.486  -0.521
  525   1HB   GLU  67          1HB       GLU  67   2.496 -13.970   0.861
  526   2HB   GLU  67          2HB       GLU  67   1.286 -14.866  -0.015
  527   1HG   GLU  67          1HG       GLU  67   1.097 -15.827   2.112
  528   2HG   GLU  67          2HG       GLU  67   2.083 -17.082   1.136
  529    HE2  GLU  67           HE       GLU  67   4.972 -15.910   3.074
  530    H    LEU  68           H        LEU  68   3.653 -13.466  -2.213
  531    HA   LEU  68           HA       LEU  68   1.696 -14.007  -4.401
  532   1HB   LEU  68          1HB       LEU  68   1.271 -11.790  -2.312
  533   2HB   LEU  68          2HB       LEU  68   0.573 -11.653  -3.817
  534    HG   LEU  68           HG       LEU  68  -0.149 -13.566  -1.500
  535   1HD1  LEU  68          1HD1      LEU  68  -2.158 -12.346  -1.585
  536   2HD1  LEU  68          2HD1      LEU  68  -0.730 -11.291  -1.089
  537   3HD1  LEU  68          3HD1      LEU  68  -1.631 -11.161  -2.718
  538   1HD2  LEU  68          1HD2      LEU  68  -0.524 -14.804  -3.480
  539   2HD2  LEU  68          2HD2      LEU  68  -2.047 -14.286  -2.829
  540   3HD2  LEU  68          3HD2      LEU  68  -1.543 -13.487  -4.267
  541    H    LYS  69           H        LYS  69   3.766 -14.004  -4.768
  542    HA   LYS  69           HA       LYS  69   5.091 -11.691  -6.074
  543   1HB   LYS  69          1HB       LYS  69   6.750 -12.915  -7.092
  544   2HB   LYS  69          2HB       LYS  69   6.600 -13.351  -5.420
  545   1HG   LYS  69          1HG       LYS  69   5.378 -15.572  -6.115
  546   2HG   LYS  69          2HG       LYS  69   5.560 -15.092  -7.730
  547   1HD   LYS  69          1HD       LYS  69   7.979 -15.165  -7.366
  548   2HD   LYS  69          2HD       LYS  69   7.810 -15.503  -5.621
  549   1HE   LYS  69          1HE       LYS  69   6.715 -17.790  -6.371
  550   2HE   LYS  69          2HE       LYS  69   6.802 -17.381  -7.949
  551   1HZ   LYS  69          1HZ       LYS  69   9.097 -17.995  -6.217
  552   2HZ   LYS  69          2HZ       LYS  69   8.701 -18.686  -7.645
  553    H    ALA  70           H        ALA  70   3.062 -14.123  -7.513
  554    HA   ALA  70           HA       ALA  70   3.229 -13.156 -10.184
  555   1HB   ALA  70          1HB       ALA  70   1.227 -14.312 -10.690
  556   2HB   ALA  70          2HB       ALA  70   2.300 -15.265  -9.758
  557   3HB   ALA  70          3HB       ALA  70   0.921 -14.714  -8.904
  558    H    VAL  71           H        VAL  71   0.739 -12.616  -7.873
  559    HA   VAL  71           HA       VAL  71  -0.577 -10.498  -9.441
  560    HB   VAL  71           HB       VAL  71  -1.916 -11.745  -7.847
  561   1HG1  VAL  71          1HG1      VAL  71  -1.791 -11.314  -5.495
  562   2HG1  VAL  71          2HG1      VAL  71  -0.174 -11.685  -6.059
  563   3HG1  VAL  71          3HG1      VAL  71  -0.404 -10.122  -5.783
  564   1HG2  VAL  71          1HG2      VAL  71  -3.250  -9.648  -6.972
  565   2HG2  VAL  71          2HG2      VAL  71  -1.948  -8.650  -7.737
  566   3HG2  VAL  71          3HG2      VAL  71  -2.815  -9.573  -8.704
  567    H    ALA  72           H        ALA  72   1.800 -10.146  -6.908
  568    HA   ALA  72           HA       ALA  72   1.821  -7.161  -6.801
  569   1HB   ALA  72          1HB       ALA  72   4.068  -7.187  -6.127
  570   2HB   ALA  72          2HB       ALA  72   3.392  -8.568  -5.204
  571   3HB   ALA  72          3HB       ALA  72   4.341  -8.852  -6.727
  572    H    GLU  73           H        GLU  73   3.555  -9.309  -8.717
  573    HA   GLU  73           HA       GLU  73   5.086  -7.560 -10.553
  574   1HB   GLU  73          1HB       GLU  73   4.015 -10.366 -10.614
  575   2HB   GLU  73          2HB       GLU  73   4.726  -9.795 -12.058
  576   1HG   GLU  73          1HG       GLU  73   6.917  -9.280 -10.782
  577   2HG   GLU  73          2HG       GLU  73   6.346  -9.916  -9.301
  578    HE2  GLU  73           HE       GLU  73   8.131 -12.073 -12.175
  579    H    GLU  74           H        GLU  74   1.828  -8.978 -10.749
  580    HA   GLU  74           HA       GLU  74   1.128  -7.821 -13.422
  581   1HB   GLU  74          1HB       GLU  74  -0.695  -8.847 -13.428
  582   2HB   GLU  74          2HB       GLU  74   0.045  -9.886 -12.233
  583   1HG   GLU  74          1HG       GLU  74  -1.429  -8.772 -10.511
  584   2HG   GLU  74          2HG       GLU  74  -1.929  -7.551 -11.698
  585    HE2  GLU  74           HE       GLU  74  -3.612  -7.866 -12.942
  586    H    TRP  75           H        TRP  75   0.359  -6.576 -10.278
  587    HA   TRP  75           HA       TRP  75  -1.149  -4.141 -11.058
  588   1HB   TRP  75          1HB       TRP  75   0.498  -4.176  -8.383
  589   2HB   TRP  75          2HB       TRP  75  -0.606  -3.103  -8.966
  590    HD1  TRP  75           HD       TRP  75  -0.271  -5.934  -6.801
  591    HE1  TRP  75           1HE      TRP  75  -2.269  -7.443  -6.284
  592    HE3  TRP  75           3HE      TRP  75  -3.284  -3.976 -10.494
  593    HZ2  TRP  75           2HZ      TRP  75  -4.774  -7.543  -7.248
  594    HZ3  TRP  75           3HZ      TRP  75  -5.318  -5.390 -11.039
  595    HH2  TRP  75           HH       TRP  75  -6.034  -7.106  -9.423
  596    H    ASN  76           H        ASN  76   2.241  -4.467 -10.205
  597    HA   ASN  76           HA       ASN  76   3.550  -4.224 -12.340
  598   1HB   ASN  76          1HB       ASN  76   2.495  -2.422 -13.469
  599   2HB   ASN  76          2HB       ASN  76   3.214  -1.254 -12.426
  600   1HD2  ASN  76          1HD2      ASN  76   5.704  -1.083 -12.500
  601   2HD2  ASN  76          2HD2      ASN  76   6.259  -1.441 -14.196
  602    H    VAL  77           H        VAL  77   4.592  -5.252 -10.569
  603    HA   VAL  77           HA       VAL  77   6.757  -3.661  -9.153
  604    HB   VAL  77           HB       VAL  77   5.299  -6.159  -8.152
  605   1HG1  VAL  77          1HG1      VAL  77   7.135  -4.618  -6.368
  606   2HG1  VAL  77          2HG1      VAL  77   6.314  -6.242  -6.172
  607   3HG1  VAL  77          3HG1      VAL  77   7.612  -5.929  -7.394
  608   1HG2  VAL  77          1HG2      VAL  77   4.094  -4.954  -6.390
  609   2HG2  VAL  77          2HG2      VAL  77   4.718  -3.361  -7.037
  610   3HG2  VAL  77          3HG2      VAL  77   3.611  -4.181  -7.964
  611    H    GLU  78           H        GLU  78   7.826  -4.170 -11.103
  612    HA   GLU  78           HA       GLU  78   9.461  -6.580 -11.233
  613   1HB   GLU  78          1HB       GLU  78  10.645  -5.372 -12.931
  614   2HB   GLU  78          2HB       GLU  78   8.961  -5.063 -13.251
  615   1HG   GLU  78          1HG       GLU  78   9.640  -2.710 -11.384
  616   2HG   GLU  78          2HG       GLU  78  11.079  -3.186 -12.191
  617    HE2  GLU  78           HE       GLU  78  10.249  -1.086 -12.522
  618    H    ALA  79           H        ALA  79   9.386  -4.347  -8.732
  619    HA   ALA  79           HA       ALA  79  12.042  -5.188  -7.733
  620   1HB   ALA  79          1HB       ALA  79  12.394  -2.636  -7.340
  621   2HB   ALA  79          2HB       ALA  79  12.648  -3.041  -8.958
  622   3HB   ALA  79          3HB       ALA  79  11.166  -2.238  -8.407
  623    H    MET  80           H        MET  80  12.455  -5.216  -5.856
  624    HA   MET  80           HA       MET  80  10.551  -4.699  -3.523
  625   1HB   MET  80          1HB       MET  80  13.004  -6.604  -3.784
  626   2HB   MET  80          2HB       MET  80  12.929  -5.598  -2.468
  627   1HG   MET  80          1HG       MET  80  11.874  -7.715  -2.063
  628   2HG   MET  80          2HG       MET  80  10.807  -6.412  -1.765
  629   1HE   MET  80          1HE       MET  80   8.703  -6.255  -4.781
  630   2HE   MET  80          2HE       MET  80   7.843  -7.418  -3.907
  631   3HE   MET  80          3HE       MET  80   8.637  -6.266  -2.914
  632    HA   PRO  81           HA       PRO  81   9.517  -3.104  -3.423
  633   1HB   PRO  81          1HB       PRO  81   9.031  -2.669  -0.681
  634   2HB   PRO  81          2HB       PRO  81  10.156  -3.827  -1.142
  635   1HG   PRO  81          2HG       PRO  81  10.753  -1.406   0.130
  636   2HG   PRO  81          1HG       PRO  81  11.767  -2.917   0.079
  637   1HD   PRO  81          1HD       PRO  81  11.975  -0.478  -1.676
  638   2HD   PRO  81          2HD       PRO  81  13.074  -1.899  -1.438
  639    H    THR  82           H        THR  82   7.923  -2.438  -3.433
  640    HA   THR  82           HA       THR  82   7.556   0.399  -4.433
  641    HB   THR  82           HB       THR  82   6.177  -2.146  -5.571
  642    HG1  THR  82           1HG      THR  82   8.561  -2.369  -5.950
  643   1HG2  THR  82          1HG2      THR  82   5.235   0.054  -6.411
  644   2HG2  THR  82          2HG2      THR  82   6.641   0.398  -7.128
  645   3HG2  THR  82          3HG2      THR  82   5.794  -1.197  -7.625
  646    H    PHE  83           H        PHE  83   5.653   1.171  -4.645
  647    HA   PHE  83           HA       PHE  83   3.687   0.715  -2.405
  648   1HB   PHE  83          1HB       PHE  83   5.419   3.407  -2.680
  649   2HB   PHE  83          2HB       PHE  83   3.930   3.409  -1.966
  650    HD1  PHE  83           1HD      PHE  83   7.265   1.680  -1.906
  651    HD2  PHE  83           2HD      PHE  83   3.546   2.489   0.392
  652    HE1  PHE  83           1HE      PHE  83   8.137   0.573   0.005
  653    HE2  PHE  83           2HE      PHE  83   4.477   1.233   2.326
  654    HZ   PHE  83           HZ       PHE  83   6.742   0.466   2.278
  655    H    ILE  84           H        ILE  84   1.792   1.112  -3.499
  656    HA   ILE  84           HA       ILE  84   1.517   2.277  -6.220
  657    HB   ILE  84           HB       ILE  84   1.343  -0.740  -5.594
  658   1HG1  ILE  84          1HG1      ILE  84   2.021   0.637  -8.136
  659   2HG1  ILE  84          2HG1      ILE  84   3.135   0.679  -6.753
  660   1HG2  ILE  84          1HG2      ILE  84  -0.608   0.464  -7.702
  661   2HG2  ILE  84          2HG2      ILE  84  -0.174  -1.202  -7.300
  662   3HG2  ILE  84          3HG2      ILE  84  -1.151  -0.387  -6.217
  663   1HD1  ILE  84          1HD1      ILE  84   2.966  -1.964  -6.797
  664   2HD1  ILE  84          2HD1      ILE  84   1.812  -1.825  -8.137
  665   3HD1  ILE  84          3HD1      ILE  84   3.537  -1.243  -8.339
  666    H    PHE  85           H        PHE  85  -0.283   3.001  -6.636
  667    HA   PHE  85           HA       PHE  85  -1.951   3.827  -4.437
  668   1HB   PHE  85          1HB       PHE  85  -0.463   5.562  -6.522
  669   2HB   PHE  85          2HB       PHE  85  -1.941   6.018  -5.836
  670    HD1  PHE  85           1HD      PHE  85   1.564   4.610  -5.112
  671    HD2  PHE  85           2HD      PHE  85  -1.539   7.361  -3.630
  672    HE1  PHE  85           1HE      PHE  85   2.948   5.349  -3.345
  673    HE2  PHE  85           2HE      PHE  85   0.064   8.206  -1.996
  674    HZ   PHE  85           HZ       PHE  85   2.287   7.030  -1.666
  675    H    LEU  86           H        LEU  86  -3.822   3.158  -4.859
  676    HA   LEU  86           HA       LEU  86  -5.189   2.899  -7.508
  677   1HB   LEU  86          1HB       LEU  86  -3.917   0.738  -6.183
  678   2HB   LEU  86          2HB       LEU  86  -5.291   0.796  -5.166
  679    HG   LEU  86           HG       LEU  86  -5.688  -0.914  -6.738
  680   1HD1  LEU  86          1HD1      LEU  86  -7.747  -0.568  -7.815
  681   2HD1  LEU  86          2HD1      LEU  86  -7.720   0.396  -6.364
  682   3HD1  LEU  86          3HD1      LEU  86  -7.466   1.156  -7.903
  683   1HD2  LEU  86          1HD2      LEU  86  -5.583  -0.534  -9.335
  684   2HD2  LEU  86          2HD2      LEU  86  -4.554   0.758  -8.805
  685   3HD2  LEU  86          3HD2      LEU  86  -4.107  -0.893  -8.412
  686    H    LYS  87           H        LYS  87  -6.750   3.860  -7.374
  687    HA   LYS  87           HA       LYS  87  -8.537   4.427  -5.014
  688   1HB   LYS  87          1HB       LYS  87  -6.901   6.240  -6.321
  689   2HB   LYS  87          2HB       LYS  87  -8.203   6.272  -7.431
  690   1HG   LYS  87          1HG       LYS  87  -9.691   6.943  -5.569
  691   2HG   LYS  87          2HG       LYS  87  -8.575   6.736  -4.311
  692   1HD   LYS  87          1HD       LYS  87  -7.052   8.539  -5.600
  693   2HD   LYS  87          2HD       LYS  87  -8.286   8.759  -6.649
  694   1HE   LYS  87          1HE       LYS  87  -9.714   9.896  -5.165
  695   2HE   LYS  87          2HE       LYS  87  -8.960   9.104  -3.691
  696   1HZ   LYS  87          1HZ       LYS  87  -8.454  11.269  -3.795
  697   2HZ   LYS  87          2HZ       LYS  87  -7.026  10.785  -4.095
  698    H    ASP  88           H        ASP  88 -11.018   4.844  -5.258
  699    HA   ASP  88           HA       ASP  88 -12.304   3.732  -7.338
  700   1HB   ASP  88          1HB       ASP  88 -14.212   5.006  -6.876
  701   2HB   ASP  88          2HB       ASP  88 -13.491   4.498  -5.436
  702    HD2  ASP  88           HD       ASP  88 -12.493   7.926  -4.622
  703    H    GLY  89           H        GLY  89 -10.106   4.562  -8.780
  704   1HA   GLY  89          1HA       GLY  89 -11.404   5.075 -11.299
  705   2HA   GLY  89          2HA       GLY  89 -10.517   6.567 -10.805
  706    H    LYS  90           H        LYS  90  -9.947   3.042 -10.366
  707    HA   LYS  90           HA       LYS  90  -8.415   1.495 -10.753
  708   1HB   LYS  90          1HB       LYS  90  -8.523   2.707 -13.577
  709   2HB   LYS  90          2HB       LYS  90  -7.173   1.747 -13.329
  710   1HG   LYS  90          1HG       LYS  90  -8.387  -0.151 -12.288
  711   2HG   LYS  90          2HG       LYS  90  -9.862   0.573 -12.481
  712   1HD   LYS  90          1HD       LYS  90  -7.976  -0.511 -14.559
  713   2HD   LYS  90          2HD       LYS  90  -9.470  -1.099 -14.224
  714   1HE   LYS  90          1HE       LYS  90 -10.783   0.966 -15.225
  715   2HE   LYS  90          2HE       LYS  90  -9.117   1.603 -15.515
  716   1HZ   LYS  90          1HZ       LYS  90  -8.681  -0.143 -16.904
  717   2HZ   LYS  90          2HZ       LYS  90 -10.078   0.768 -17.328
  718    H    LEU  91           H        LEU  91  -5.738   1.594 -12.101
  719    HA   LEU  91           HA       LEU  91  -4.103   2.534  -9.892
  720   1HB   LEU  91          1HB       LEU  91  -3.259   0.714 -11.448
  721   2HB   LEU  91          2HB       LEU  91  -3.384   1.693 -12.862
  722    HG   LEU  91           HG       LEU  91  -1.491   3.041 -11.466
  723   1HD1  LEU  91          1HD1      LEU  91  -1.651   1.591  -9.374
  724   2HD1  LEU  91          2HD1      LEU  91  -0.866   0.288 -10.189
  725   3HD1  LEU  91          3HD1      LEU  91  -0.004   1.819 -10.006
  726   1HD2  LEU  91          1HD2      LEU  91   0.219   2.102 -12.593
  727   2HD2  LEU  91          2HD2      LEU  91  -0.481   0.416 -12.598
  728   3HD2  LEU  91          3HD2      LEU  91  -1.164   1.775 -13.611
  729    H    VAL  92           H        VAL  92  -4.256   4.405  -9.455
  730    HA   VAL  92           HA       VAL  92  -3.884   6.795 -11.106
  731    HB   VAL  92           HB       VAL  92  -3.967   8.226  -9.093
  732   1HG1  VAL  92          1HG1      VAL  92  -6.327   6.424  -9.098
  733   2HG1  VAL  92          2HG1      VAL  92  -6.201   8.067  -8.562
  734   3HG1  VAL  92          3HG1      VAL  92  -6.258   7.657 -10.218
  735   1HG2  VAL  92          1HG2      VAL  92  -4.478   5.763  -7.245
  736   2HG2  VAL  92          2HG2      VAL  92  -3.026   6.736  -7.285
  737   3HG2  VAL  92          3HG2      VAL  92  -4.581   7.268  -6.730
  738    H    ASP  93           H        ASP  93  -1.538   5.255  -8.872
  739    HA   ASP  93           HA       ASP  93   0.754   6.431 -10.462
  740   1HB   ASP  93          1HB       ASP  93  -0.366   8.237  -8.897
  741   2HB   ASP  93          2HB       ASP  93   0.462   7.459  -7.688
  742    HD2  ASP  93           HD       ASP  93   0.625   9.289 -10.314
  743    H    LYS  94           H        LYS  94   2.917   5.948  -9.411
  744    HA   LYS  94           HA       LYS  94   3.113   3.792  -7.516
  745   1HB   LYS  94          1HB       LYS  94   4.074   2.131  -9.039
  746   2HB   LYS  94          2HB       LYS  94   2.495   2.568  -9.500
  747   1HG   LYS  94          1HG       LYS  94   3.591   3.949 -11.367
  748   2HG   LYS  94          2HG       LYS  94   5.209   3.276 -10.831
  749   1HD   LYS  94          1HD       LYS  94   4.721   1.061 -11.230
  750   2HD   LYS  94          2HD       LYS  94   3.019   1.273 -11.321
  751   1HE   LYS  94          1HE       LYS  94   5.215   2.115 -13.500
  752   2HE   LYS  94          2HE       LYS  94   3.967   0.667 -13.589
  753   1HZ   LYS  94          1HZ       LYS  94   3.366   2.504 -14.876
  754   2HZ   LYS  94          2HZ       LYS  94   3.332   3.570 -13.610
  755    H    THR  95           H        THR  95   5.091   3.527  -6.716
  756    HA   THR  95           HA       THR  95   7.476   4.997  -7.400
  757    HB   THR  95           HB       THR  95   5.891   5.841  -5.002
  758    HG1  THR  95           1HG      THR  95   5.224   6.739  -6.992
  759   1HG2  THR  95          1HG2      THR  95   7.584   7.798  -4.766
  760   2HG2  THR  95          2HG2      THR  95   8.217   6.197  -4.229
  761   3HG2  THR  95          3HG2      THR  95   8.607   6.752  -5.875
  762    H    VAL  96           H        VAL  96   9.095   4.149  -6.533
  763    HA   VAL  96           HA       VAL  96   8.824   2.015  -4.528
  764    HB   VAL  96           HB       VAL  96   8.705   1.004  -6.756
  765   1HG1  VAL  96          1HG1      VAL  96  11.193   2.783  -7.902
  766   2HG1  VAL  96          2HG1      VAL  96  10.317   1.363  -8.609
  767   3HG1  VAL  96          3HG1      VAL  96   9.495   2.895  -8.009
  768   1HG2  VAL  96          1HG2      VAL  96  11.524   0.438  -5.703
  769   2HG2  VAL  96          2HG2      VAL  96   9.971  -0.389  -5.461
  770   3HG2  VAL  96          3HG2      VAL  96  10.771  -0.334  -7.071
  771    H    GLY  97           H        GLY  97   9.990   2.264  -2.837
  772   1HA   GLY  97          1HA       GLY  97  12.856   3.203  -2.702
  773   2HA   GLY  97          2HA       GLY  97  11.819   4.525  -2.334
  774    H    ALA  98           H        ALA  98  12.332   4.817  -0.284
  775    HA   ALA  98           HA       ALA  98  10.747   3.654   1.765
  776   1HB   ALA  98          1HB       ALA  98  13.437   2.310   2.103
  777   2HB   ALA  98          2HB       ALA  98  12.215   2.433   3.358
  778   3HB   ALA  98          3HB       ALA  98  11.844   1.477   1.840
  779    H    ASP  99           H        ASP  99  10.775   5.372   2.722
  780    HA   ASP  99           HA       ASP  99  12.866   7.085   3.792
  781   1HB   ASP  99          1HB       ASP  99  12.285   7.707   1.267
  782   2HB   ASP  99          2HB       ASP  99  10.803   8.468   1.853
  783    HD2  ASP  99           HD       ASP  99  13.811  10.685   1.235
  784    H    LYS 100           H        LYS 100  12.039   7.374   5.659
  785    HA   LYS 100           HA       LYS 100   9.450   7.648   6.796
  786   1HB   LYS 100          1HB       LYS 100  10.575   8.508   8.706
  787   2HB   LYS 100          2HB       LYS 100  11.589   7.278   7.971
  788   1HG   LYS 100          1HG       LYS 100  13.084   9.077   7.077
  789   2HG   LYS 100          2HG       LYS 100  12.037  10.337   7.583
  790   1HD   LYS 100          1HD       LYS 100  12.239   9.301   9.998
  791   2HD   LYS 100          2HD       LYS 100  13.457   8.263   9.215
  792   1HE   LYS 100          1HE       LYS 100  14.761  10.361   8.634
  793   2HE   LYS 100          2HE       LYS 100  13.713  11.398   9.589
  794   1HZ   LYS 100          1HZ       LYS 100  14.229   9.875  11.451
  795   2HZ   LYS 100          2HZ       LYS 100  15.484   9.251  10.703
  796    H    ASP 101           H        ASP 101  11.024  10.675   6.039
  797    HA   ASP 101           HA       ASP 101   8.528  12.094   5.982
  798   1HB   ASP 101          1HB       ASP 101   9.770  14.015   5.081
  799   2HB   ASP 101          2HB       ASP 101  10.535  13.416   6.573
  800    HD2  ASP 101           HD       ASP 101  13.407  12.824   4.793
  801    H    GLY 102           H        GLY 102  10.263  10.473   3.448
  802   1HA   GLY 102          1HA       GLY 102   9.205  11.639   1.107
  803   2HA   GLY 102          2HA       GLY 102   9.642   9.976   1.224
  804    H    LEU 103           H        LEU 103   7.968   8.586   2.388
  805    HA   LEU 103           HA       LEU 103   5.671   8.254   0.870
  806   1HB   LEU 103          1HB       LEU 103   6.983   6.505   2.074
  807   2HB   LEU 103          2HB       LEU 103   6.632   7.141   3.632
  808    HG   LEU 103           HG       LEU 103   4.117   6.371   3.214
  809   1HD1  LEU 103          1HD1      LEU 103   3.586   4.777   1.455
  810   2HD1  LEU 103          2HD1      LEU 103   4.008   6.249   0.826
  811   3HD1  LEU 103          3HD1      LEU 103   5.231   4.905   0.747
  812   1HD2  LEU 103          1HD2      LEU 103   4.559   3.989   3.743
  813   2HD2  LEU 103          2HD2      LEU 103   6.277   4.101   3.188
  814   3HD2  LEU 103          3HD2      LEU 103   5.691   4.908   4.692
  815    HA   PRO 104           HA       PRO 104   2.735  10.504   4.270
  816   1HB   PRO 104          1HB       PRO 104   5.159  12.159   5.240
  817   2HB   PRO 104          2HB       PRO 104   3.577  11.864   6.209
  818   1HG   PRO 104          1HG       PRO 104   5.820  10.423   6.756
  819   2HG   PRO 104          2HG       PRO 104   4.409   9.610   6.689
  820   1HD   PRO 104          1HD       PRO 104   6.611   9.677   4.611
  821   2HD   PRO 104          2HD       PRO 104   5.501   8.335   5.145
  822    H    THR 105           H        THR 105   5.502  11.993   2.603
  823    HA   THR 105           HA       THR 105   4.059  14.476   1.964
  824    HB   THR 105           HB       THR 105   6.803  13.653   0.818
  825    HG1  THR 105           1HG      THR 105   6.928  13.974   3.013
  826   1HG2  THR 105          1HG2      THR 105   5.764  15.564  -0.507
  827   2HG2  THR 105          2HG2      THR 105   5.232  16.366   1.000
  828   3HG2  THR 105          3HG2      THR 105   7.013  16.210   0.520
  829    H    LEU 106           H        LEU 106   5.010  11.657  -0.038
  830    HA   LEU 106           HA       LEU 106   3.412  12.192  -2.485
  831   1HB   LEU 106          1HB       LEU 106   5.331  10.530  -2.376
  832   2HB   LEU 106          2HB       LEU 106   4.538   9.632  -1.197
  833    HG   LEU 106           HG       LEU 106   2.682   9.056  -2.829
  834   1HD1  LEU 106          1HD1      LEU 106   3.025   9.285  -5.198
  835   2HD1  LEU 106          2HD1      LEU 106   2.984  10.881  -4.714
  836   3HD1  LEU 106          3HD1      LEU 106   4.495  10.031  -5.092
  837   1HD2  LEU 106          1HD2      LEU 106   4.113   7.532  -4.227
  838   2HD2  LEU 106          2HD2      LEU 106   5.528   8.480  -3.769
  839   3HD2  LEU 106          3HD2      LEU 106   4.700   7.541  -2.556
  840    H    VAL 107           H        VAL 107   2.385  10.504   0.400
  841    HA   VAL 107           HA       VAL 107  -0.201   9.794  -0.482
  842    HB   VAL 107           HB       VAL 107   0.902   9.893   2.316
  843   1HG1  VAL 107          1HG1      VAL 107  -1.430  10.165   2.848
  844   2HG1  VAL 107          2HG1      VAL 107  -1.935   8.853   1.653
  845   3HG1  VAL 107          3HG1      VAL 107  -0.998   8.507   3.055
  846   1HG2  VAL 107          1HG2      VAL 107   0.878   7.475   1.987
  847   2HG2  VAL 107          2HG2      VAL 107   0.316   7.486   0.333
  848   3HG2  VAL 107          3HG2      VAL 107   1.866   8.226   0.817
  849    H    ALA 108           H        ALA 108   0.858  12.469   1.386
  850    HA   ALA 108           HA       ALA 108  -1.600  13.853   1.900
  851   1HB   ALA 108          1HB       ALA 108  -0.228  15.892   2.026
  852   2HB   ALA 108          2HB       ALA 108   0.177  14.549   3.149
  853   3HB   ALA 108          3HB       ALA 108   1.255  14.962   1.740
  854    H    LYS 109           H        LYS 109   0.709  14.470  -0.623
  855    HA   LYS 109           HA       LYS 109  -0.855  16.088  -2.397
  856   1HB   LYS 109          1HB       LYS 109   1.139  13.923  -3.287
  857   2HB   LYS 109          2HB       LYS 109   0.547  15.155  -4.268
  858   1HG   LYS 109          1HG       LYS 109   1.621  16.976  -3.148
  859   2HG   LYS 109          2HG       LYS 109   2.055  15.992  -1.806
  860   1HD   LYS 109          1HD       LYS 109   3.535  14.560  -3.261
  861   2HD   LYS 109          2HD       LYS 109   3.060  15.364  -4.673
  862   1HE   LYS 109          1HE       LYS 109   4.069  17.524  -3.601
  863   2HE   LYS 109          2HE       LYS 109   4.699  16.562  -2.334
  864   1HZ   LYS 109          1HZ       LYS 109   5.118  15.762  -5.085
  865   2HZ   LYS 109          2HZ       LYS 109   6.025  16.937  -4.549
  866    H    HIS 110           H        HIS 110  -1.054  12.378  -2.234
  867    HA   HIS 110           HA       HIS 110  -3.119  12.199  -4.310
  868   1HB   HIS 110          1HB       HIS 110  -1.504  10.180  -2.700
  869   2HB   HIS 110          2HB       HIS 110  -2.962   9.787  -3.452
  870    HD1  HIS 110           1HD      HIS 110  -3.144   9.361  -5.888
  871    HD2  HIS 110           2HD      HIS 110   0.496  11.313  -4.896
  872    HE1  HIS 110           1HE      HIS 110  -1.631   9.984  -8.005
  873    H    ALA 111           H        ALA 111  -3.361  12.073  -0.933
  874    HA   ALA 111           HA       ALA 111  -6.203  11.706  -0.727
  875   1HB   ALA 111          1HB       ALA 111  -5.635  12.752   1.620
  876   2HB   ALA 111          2HB       ALA 111  -4.735  11.263   1.090
  877   3HB   ALA 111          3HB       ALA 111  -4.036  12.862   0.986
  878    H    THR 112           H        THR 112  -4.175  14.616  -1.371
  879    HA   THR 112           HA       THR 112  -6.504  16.432  -1.538
  880    HB   THR 112           HB       THR 112  -3.620  16.951  -2.328
  881    HG1  THR 112           1HG      THR 112  -5.009  18.153  -0.319
  882   1HG2  THR 112          1HG2      THR 112  -5.108  18.547  -3.598
  883   2HG2  THR 112          2HG2      THR 112  -5.900  18.954  -2.048
  884   3HG2  THR 112          3HG2      THR 112  -4.218  19.298  -2.238
  885    H    ALA 113           H        ALA 113  -4.431  15.744  -4.141
  886    HA   ALA 113           HA       ALA 113  -6.405  16.094  -6.289
  887   1HB   ALA 113          1HB       ALA 113  -3.556  15.190  -6.456
  888   2HB   ALA 113          2HB       ALA 113  -4.694  15.550  -7.839
  889   3HB   ALA 113          3HB       ALA 113  -4.133  16.800  -6.663
  890    HXT  ALA 113           HO       ALA 113  -5.823  12.156  -6.192
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1 -13.617   5.212  16.953
    2   2H    ALA   1          2H        ALA   1 -12.635   5.733  18.199
    3    HA   ALA   1           HA       ALA   1 -11.644   7.354  16.672
    4   1HB   ALA   1          1HB       ALA   1  -9.950   5.880  16.163
    5   2HB   ALA   1          2HB       ALA   1 -10.767   4.975  17.445
    6   3HB   ALA   1          3HB       ALA   1 -11.046   4.545  15.763
    7    H    GLU   2           H        GLU   2 -10.858   7.592  14.679
    8    HA   GLU   2           HA       GLU   2 -12.592   6.886  12.229
    9   1HB   GLU   2          1HB       GLU   2 -13.854   8.652  13.379
   10   2HB   GLU   2          2HB       GLU   2 -12.555   9.817  13.228
   11   1HG   GLU   2          1HG       GLU   2 -12.816   9.547  10.633
   12   2HG   GLU   2          2HG       GLU   2 -14.157   8.483  10.887
   13    HE2  GLU   2           HE       GLU   2 -14.835  12.239  11.061
   14    H    GLU   3           H        GLU   3 -10.708   6.075  11.875
   15    HA   GLU   3           HA       GLU   3  -8.480   7.708  10.596
   16   1HB   GLU   3          1HB       GLU   3  -6.655   6.507  11.951
   17   2HB   GLU   3          2HB       GLU   3  -7.780   7.317  13.048
   18   1HG   GLU   3          1HG       GLU   3  -9.053   5.113  13.221
   19   2HG   GLU   3          2HG       GLU   3  -7.671   4.304  12.338
   20    HE2  GLU   3           HE       GLU   3  -7.090   5.267  16.104
   21    H    GLY   4           H        GLY   4  -6.768   6.681   9.690
   22   1HA   GLY   4          1HA       GLY   4  -7.321   4.355   7.888
   23   2HA   GLY   4          2HA       GLY   4  -5.889   5.291   7.933
   24    H    GLN   5           H        GLN   5  -5.999   2.534   7.888
   25    HA   GLN   5           HA       GLN   5  -4.842   1.564  10.395
   26   1HB   GLN   5          1HB       GLN   5  -6.588  -0.177  10.845
   27   2HB   GLN   5          2HB       GLN   5  -7.483   1.269  10.552
   28   1HG   GLN   5          1HG       GLN   5  -7.853   0.474   8.119
   29   2HG   GLN   5          2HG       GLN   5  -7.196  -1.086   8.599
   30   1HE2  GLN   5          1HE2      GLN   5  -8.063  -2.137  10.498
   31   2HE2  GLN   5          2HE2      GLN   5  -9.861  -1.771  10.983
   32    H    VAL   6           H        VAL   6  -3.319   0.168   9.941
   33    HA   VAL   6           HA       VAL   6  -2.671  -0.901   7.233
   34    HB   VAL   6           HB       VAL   6  -0.918  -0.927   9.834
   35   1HG1  VAL   6          1HG1      VAL   6   0.905  -1.238   8.233
   36   2HG1  VAL   6          2HG1      VAL   6  -0.153  -2.675   8.275
   37   3HG1  VAL   6          3HG1      VAL   6  -0.234  -1.610   6.952
   38   1HG2  VAL   6          1HG2      VAL   6  -0.824   0.840   7.343
   39   2HG2  VAL   6          2HG2      VAL   6  -1.430   1.489   8.932
   40   3HG2  VAL   6          3HG2      VAL   6   0.208   1.013   8.884
   41    H    ILE   7           H        ILE   7  -3.047  -2.877   6.792
   42    HA   ILE   7           HA       ILE   7  -3.816  -5.111   8.665
   43    HB   ILE   7           HB       ILE   7  -5.769  -3.855   7.284
   44   1HG1  ILE   7          1HG1      ILE   7  -6.343  -5.416   8.955
   45   2HG1  ILE   7          2HG1      ILE   7  -7.215  -5.846   7.546
   46   1HG2  ILE   7          1HG2      ILE   7  -4.836  -4.402   5.037
   47   2HG2  ILE   7          2HG2      ILE   7  -4.954  -6.164   5.490
   48   3HG2  ILE   7          3HG2      ILE   7  -6.359  -5.099   5.126
   49   1HD1  ILE   7          1HD1      ILE   7  -5.236  -7.544   6.920
   50   2HD1  ILE   7          2HD1      ILE   7  -4.847  -7.450   8.657
   51   3HD1  ILE   7          3HD1      ILE   7  -6.462  -7.932   8.031
   52    H    ALA   8           H        ALA   8  -2.058  -6.378   8.606
   53    HA   ALA   8           HA       ALA   8  -0.359  -7.203   6.659
   54   1HB   ALA   8          1HB       ALA   8  -0.168  -9.400   7.673
   55   2HB   ALA   8          2HB       ALA   8  -0.094  -8.140   8.915
   56   3HB   ALA   8          3HB       ALA   8  -1.596  -9.214   8.694
   57    H    CYS   9           H        CYS   9  -0.354  -8.398   4.894
   58    HA   CYS   9           HA       CYS   9  -2.588 -10.130   3.935
   59   1HB   CYS   9          1HB       CYS   9  -1.171  -7.835   2.449
   60   2HB   CYS   9          2HB       CYS   9  -2.316  -8.867   1.737
   61    HG   CYS   9           HG       CYS   9  -4.363  -8.398   3.322
   62    H    HIS  10           H        HIS  10  -2.165 -11.908   2.967
   63    HA   HIS  10           HA       HIS  10   0.498 -12.743   2.084
   64   1HB   HIS  10          1HB       HIS  10  -1.158 -14.299   4.193
   65   2HB   HIS  10          2HB       HIS  10   0.430 -14.891   3.419
   66    HD1  HIS  10           1HD      HIS  10   2.577 -13.340   4.065
   67    HD2  HIS  10           2HD      HIS  10  -1.028 -12.506   6.154
   68    HE1  HIS  10           1HE      HIS  10   3.075 -12.048   6.247
   69    H    THR  11           H        THR  11  -2.768 -13.086   1.491
   70    HA   THR  11           HA       THR  11  -2.639 -15.599  -0.143
   71    HB   THR  11           HB       THR  11  -4.766 -16.344   1.053
   72    HG1  THR  11           1HG      THR  11  -4.654 -15.077   3.275
   73   1HG2  THR  11          1HG2      THR  11  -2.442 -17.184   1.826
   74   2HG2  THR  11          2HG2      THR  11  -2.438 -16.041   3.135
   75   3HG2  THR  11          3HG2      THR  11  -3.790 -17.200   3.153
   76    H    VAL  12           H        VAL  12  -4.985 -16.031  -1.138
   77    HA   VAL  12           HA       VAL  12  -6.086 -13.738  -2.749
   78    HB   VAL  12           HB       VAL  12  -6.507 -16.373  -3.031
   79   1HG1  VAL  12          1HG1      VAL  12  -8.890 -16.213  -1.084
   80   2HG1  VAL  12          2HG1      VAL  12  -8.432 -17.515  -2.148
   81   3HG1  VAL  12          3HG1      VAL  12  -7.402 -16.961  -0.785
   82   1HG2  VAL  12          1HG2      VAL  12  -7.662 -14.561  -4.350
   83   2HG2  VAL  12          2HG2      VAL  12  -8.535 -16.080  -4.142
   84   3HG2  VAL  12          3HG2      VAL  12  -9.126 -14.662  -3.230
   85    H    ASP  13           H        ASP  13  -6.407 -14.133   0.686
   86    HA   ASP  13           HA       ASP  13  -8.924 -12.972   1.135
   87   1HB   ASP  13          1HB       ASP  13  -6.433 -12.768   2.909
   88   2HB   ASP  13          2HB       ASP  13  -7.981 -12.233   3.445
   89    HD2  ASP  13           HD       ASP  13  -8.522 -13.189   4.862
   90    H    THR  14           H        THR  14  -5.690 -11.552   0.624
   91    HA   THR  14           HA       THR  14  -6.342  -8.659   0.794
   92    HB   THR  14           HB       THR  14  -4.086  -9.655   1.045
   93    HG1  THR  14           1HG      THR  14  -4.938  -7.495   0.988
   94   1HG2  THR  14          1HG2      THR  14  -3.812 -10.671  -1.188
   95   2HG2  THR  14          2HG2      THR  14  -3.877  -9.135  -2.078
   96   3HG2  THR  14          3HG2      THR  14  -2.528  -9.461  -0.898
   97    H    TRP  15           H        TRP  15  -6.584 -10.990  -1.680
   98    HA   TRP  15           HA       TRP  15  -6.878  -9.261  -4.115
   99   1HB   TRP  15          1HB       TRP  15  -7.528 -12.181  -3.698
  100   2HB   TRP  15          2HB       TRP  15  -8.542 -11.389  -4.846
  101    HD1  TRP  15           HD       TRP  15  -4.769 -12.334  -4.304
  102    HE1  TRP  15           1HE      TRP  15  -3.517 -12.177  -6.686
  103    HE3  TRP  15           3HE      TRP  15  -8.638 -10.145  -6.990
  104    HZ2  TRP  15           2HZ      TRP  15  -4.326 -11.316  -9.267
  105    HZ3  TRP  15           3HZ      TRP  15  -8.227  -9.519  -9.266
  106    HH2  TRP  15           HH       TRP  15  -6.059 -10.085 -10.496
  107    H    LYS  16           H        LYS  16  -9.157 -10.733  -1.919
  108    HA   LYS  16           HA       LYS  16 -11.512  -9.406  -3.021
  109   1HB   LYS  16          1HB       LYS  16 -11.089 -10.627  -0.141
  110   2HB   LYS  16          2HB       LYS  16 -12.686 -10.092  -0.685
  111   1HG   LYS  16          1HG       LYS  16 -12.785 -11.539  -2.552
  112   2HG   LYS  16          2HG       LYS  16 -11.283 -12.300  -2.180
  113   1HD   LYS  16          1HD       LYS  16 -13.743 -12.175  -0.253
  114   2HD   LYS  16          2HD       LYS  16 -13.336 -13.491  -1.451
  115   1HE   LYS  16          1HE       LYS  16 -11.179 -13.939  -0.294
  116   2HE   LYS  16          2HE       LYS  16 -11.523 -12.681   0.988
  117   1HZ   LYS  16          1HZ       LYS  16 -13.532 -13.945   1.337
  118   2HZ   LYS  16          2HZ       LYS  16 -13.068 -15.061   0.284
  119    H    GLU  17           H        GLU  17  -9.286  -8.653  -0.470
  120    HA   GLU  17           HA       GLU  17 -10.698  -6.210   0.622
  121   1HB   GLU  17          1HB       GLU  17  -7.954  -7.452   1.194
  122   2HB   GLU  17          2HB       GLU  17  -8.266  -5.886   1.753
  123   1HG   GLU  17          1HG       GLU  17 -10.356  -6.797   2.934
  124   2HG   GLU  17          2HG       GLU  17 -10.138  -8.302   2.211
  125    HE2  GLU  17           HE       GLU  17  -7.687  -9.325   4.509
  126    H    HIS  18           H        HIS  18  -7.676  -6.342  -1.330
  127    HA   HIS  18           HA       HIS  18  -7.266  -3.525  -1.787
  128   1HB   HIS  18          1HB       HIS  18  -5.628  -5.359  -2.114
  129   2HB   HIS  18          2HB       HIS  18  -6.518  -6.104  -3.425
  130    HD1  HIS  18           1HD      HIS  18  -6.235  -5.154  -5.848
  131    HD2  HIS  18           2HD      HIS  18  -4.321  -3.017  -2.708
  132    HE1  HIS  18           1HE      HIS  18  -4.239  -3.780  -6.818
  133    H    PHE  19           H        PHE  19  -8.726  -5.740  -3.882
  134    HA   PHE  19           HA       PHE  19  -9.269  -3.989  -6.012
  135   1HB   PHE  19          1HB       PHE  19  -9.013  -6.573  -6.163
  136   2HB   PHE  19          2HB       PHE  19 -10.787  -6.552  -5.942
  137    HD1  PHE  19           1HD      PHE  19 -11.864  -6.628  -7.878
  138    HD2  PHE  19           2HD      PHE  19  -7.942  -4.894  -8.000
  139    HE1  PHE  19           1HE      PHE  19 -11.857  -6.550 -10.568
  140    HE2  PHE  19           2HE      PHE  19  -8.003  -4.835 -10.414
  141    HZ   PHE  19           HZ       PHE  19 -10.100  -5.498 -11.693
  142    H    GLU  20           H        GLU  20 -11.764  -5.664  -4.181
  143    HA   GLU  20           HA       GLU  20 -14.115  -4.121  -4.841
  144   1HB   GLU  20          1HB       GLU  20 -13.657  -5.449  -2.139
  145   2HB   GLU  20          2HB       GLU  20 -15.235  -4.961  -2.755
  146   1HG   GLU  20          1HG       GLU  20 -13.351  -7.194  -3.693
  147   2HG   GLU  20          2HG       GLU  20 -14.982  -7.343  -2.918
  148    HE2  GLU  20           HE       GLU  20 -16.627  -7.244  -5.820
  149    H    LYS  21           H        LYS  21 -11.701  -3.291  -2.168
  150    HA   LYS  21           HA       LYS  21 -13.240  -0.927  -1.180
  151   1HB   LYS  21          1HB       LYS  21 -10.336  -1.736  -0.672
  152   2HB   LYS  21          2HB       LYS  21 -11.197  -0.323  -0.091
  153   1HG   LYS  21          1HG       LYS  21 -11.738  -3.189   0.394
  154   2HG   LYS  21          2HG       LYS  21 -11.005  -2.132   1.617
  155   1HD   LYS  21          1HD       LYS  21 -13.394  -0.729   1.557
  156   2HD   LYS  21          2HD       LYS  21 -13.932  -2.217   0.706
  157   1HE   LYS  21          1HE       LYS  21 -14.538  -2.380   3.158
  158   2HE   LYS  21          2HE       LYS  21 -13.328  -3.595   2.744
  159   1HZ   LYS  21          1HZ       LYS  21 -12.868  -0.870   3.810
  160   2HZ   LYS  21          2HZ       LYS  21 -12.948  -2.141   4.784
  161    H    GLY  22           H        GLY  22 -10.300  -1.248  -3.111
  162   1HA   GLY  22          1HA       GLY  22  -9.903   1.562  -3.704
  163   2HA   GLY  22          2HA       GLY  22  -9.258   0.043  -4.508
  164    H    LYS  23           H        LYS  23 -10.933  -0.815  -5.962
  165    HA   LYS  23           HA       LYS  23 -12.501   1.028  -7.728
  166   1HB   LYS  23          1HB       LYS  23 -10.983  -0.511  -8.779
  167   2HB   LYS  23          2HB       LYS  23 -12.007  -1.906  -8.195
  168   1HG   LYS  23          1HG       LYS  23 -13.925  -0.471  -9.256
  169   2HG   LYS  23          2HG       LYS  23 -12.824   0.355 -10.223
  170   1HD   LYS  23          1HD       LYS  23 -13.406  -2.820 -10.012
  171   2HD   LYS  23          2HD       LYS  23 -14.158  -1.813 -11.100
  172   1HE   LYS  23          1HE       LYS  23 -10.960  -2.286 -10.846
  173   2HE   LYS  23          2HE       LYS  23 -11.978  -3.375 -11.819
  174   1HZ   LYS  23          1HZ       LYS  23 -12.280  -1.849 -13.415
  175   2HZ   LYS  23          2HZ       LYS  23 -12.245  -0.463 -12.422
  176    H    GLY  24           H        GLY  24 -14.173   1.261  -6.407
  177   1HA   GLY  24          1HA       GLY  24 -16.460  -0.080  -6.499
  178   2HA   GLY  24          2HA       GLY  24 -15.822  -0.908  -5.088
  179    H    SER  25           H        SER  25 -14.643   1.197  -4.012
  180    HA   SER  25           HA       SER  25 -16.816   2.647  -2.498
  181   1HB   SER  25          1HB       SER  25 -14.223   1.434  -1.111
  182   2HB   SER  25          2HB       SER  25 -15.420   2.458  -0.308
  183    HG   SER  25           HG       SER  25 -15.608   0.014  -0.312
  184    H    GLN  26           H        GLN  26 -16.691   4.695  -2.688
  185    HA   GLN  26           HA       GLN  26 -14.613   6.254  -3.426
  186   1HB   GLN  26          1HB       GLN  26 -17.021   7.064  -1.722
  187   2HB   GLN  26          2HB       GLN  26 -15.806   8.212  -2.432
  188   1HG   GLN  26          1HG       GLN  26 -17.668   8.221  -3.867
  189   2HG   GLN  26          2HG       GLN  26 -16.303   7.674  -4.668
  190   1HE2  GLN  26          1HE2      GLN  26 -16.259   5.388  -5.496
  191   2HE2  GLN  26          2HE2      GLN  26 -17.817   4.452  -5.444
  192    H    LYS  27           H        LYS  27 -12.792   5.252  -2.502
  193    HA   LYS  27           HA       LYS  27 -11.488   6.923  -0.444
  194   1HB   LYS  27          1HB       LYS  27 -10.783   5.142   0.949
  195   2HB   LYS  27          2HB       LYS  27 -12.630   5.272   0.778
  196   1HG   LYS  27          1HG       LYS  27 -12.401   3.246  -0.731
  197   2HG   LYS  27          2HG       LYS  27 -10.634   3.224  -0.366
  198   1HD   LYS  27          1HD       LYS  27 -11.715   1.559   0.974
  199   2HD   LYS  27          2HD       LYS  27 -11.056   2.837   1.929
  200   1HE   LYS  27          1HE       LYS  27 -13.112   3.766   2.660
  201   2HE   LYS  27          2HE       LYS  27 -14.041   2.755   1.415
  202   1HZ   LYS  27          1HZ       LYS  27 -14.111   1.909   3.625
  203   2HZ   LYS  27          2HZ       LYS  27 -13.514   0.828   2.522
  204    H    LEU  28           H        LEU  28  -9.428   6.808  -0.421
  205    HA   LEU  28           HA       LEU  28  -7.940   5.673  -2.765
  206   1HB   LEU  28          1HB       LEU  28  -7.351   8.103  -1.963
  207   2HB   LEU  28          2HB       LEU  28  -6.860   7.324  -0.404
  208    HG   LEU  28           HG       LEU  28  -5.068   6.046  -1.739
  209   1HD1  LEU  28          1HD1      LEU  28  -4.322   6.967  -3.952
  210   2HD1  LEU  28          2HD1      LEU  28  -5.786   5.953  -3.869
  211   3HD1  LEU  28          3HD1      LEU  28  -5.959   7.793  -4.136
  212   1HD2  LEU  28          1HD2      LEU  28  -4.749   9.136  -1.765
  213   2HD2  LEU  28          2HD2      LEU  28  -4.759   8.094  -0.249
  214   3HD2  LEU  28          3HD2      LEU  28  -3.554   7.907  -1.682
  215    H    ILE  29           H        ILE  29  -6.284   4.186  -2.351
  216    HA   ILE  29           HA       ILE  29  -5.999   2.700   0.235
  217    HB   ILE  29           HB       ILE  29  -6.532   0.677  -0.320
  218   1HG1  ILE  29          1HG1      ILE  29  -7.721   0.954  -3.177
  219   2HG1  ILE  29          2HG1      ILE  29  -6.054   1.137  -3.130
  220   1HG2  ILE  29          1HG2      ILE  29  -8.947   0.482  -0.917
  221   2HG2  ILE  29          2HG2      ILE  29  -8.696   1.831   0.164
  222   3HG2  ILE  29          3HG2      ILE  29  -8.815   2.206  -1.485
  223   1HD1  ILE  29          1HD1      ILE  29  -5.686  -1.147  -1.917
  224   2HD1  ILE  29          2HD1      ILE  29  -7.466  -1.349  -2.220
  225   3HD1  ILE  29          3HD1      ILE  29  -6.421  -1.157  -3.586
  226    H    VAL  30           H        VAL  30  -4.112   2.012   0.377
  227    HA   VAL  30           HA       VAL  30  -1.889   2.421  -1.670
  228    HB   VAL  30           HB       VAL  30  -2.026   3.634   1.040
  229   1HG1  VAL  30          1HG1      VAL  30   0.457   3.095   0.600
  230   2HG1  VAL  30          2HG1      VAL  30   0.416   3.801  -0.970
  231   3HG1  VAL  30          3HG1      VAL  30   0.220   4.855   0.559
  232   1HG2  VAL  30          1HG2      VAL  30  -1.782   5.863  -0.469
  233   2HG2  VAL  30          2HG2      VAL  30  -2.449   4.904  -1.774
  234   3HG2  VAL  30          3HG2      VAL  30  -3.310   5.092  -0.224
  235    H    VAL  31           H        VAL  31  -0.046   1.011  -1.537
  236    HA   VAL  31           HA       VAL  31  -0.371  -1.117   0.479
  237    HB   VAL  31           HB       VAL  31  -2.100  -1.776  -0.880
  238   1HG1  VAL  31          1HG1      VAL  31  -0.544  -1.234  -3.410
  239   2HG1  VAL  31          2HG1      VAL  31  -2.060  -2.235  -3.375
  240   3HG1  VAL  31          3HG1      VAL  31  -2.100  -0.556  -2.852
  241   1HG2  VAL  31          1HG2      VAL  31  -1.526  -4.057  -1.765
  242   2HG2  VAL  31          2HG2      VAL  31   0.315  -3.531  -1.868
  243   3HG2  VAL  31          3HG2      VAL  31  -0.629  -3.609  -0.259
  244    H    ASP  32           H        ASP  32   1.388  -2.026   0.713
  245    HA   ASP  32           HA       ASP  32   3.897  -1.370  -0.559
  246   1HB   ASP  32          1HB       ASP  32   3.542  -1.211   2.079
  247   2HB   ASP  32          2HB       ASP  32   3.588  -2.965   2.194
  248    HD2  ASP  32           HD       ASP  32   7.065  -1.554   0.572
  249    H    PHE  33           H        PHE  33   5.122  -2.820  -1.244
  250    HA   PHE  33           HA       PHE  33   4.594  -5.746  -1.383
  251   1HB   PHE  33          1HB       PHE  33   5.688  -3.867  -3.650
  252   2HB   PHE  33          2HB       PHE  33   5.825  -5.591  -3.735
  253    HD1  PHE  33           1HD      PHE  33   3.721  -7.185  -3.794
  254    HD2  PHE  33           2HD      PHE  33   3.318  -2.745  -3.958
  255    HE1  PHE  33           1HE      PHE  33   1.140  -7.228  -4.425
  256    HE2  PHE  33           2HE      PHE  33   1.089  -2.920  -4.194
  257    HZ   PHE  33           HZ       PHE  33  -0.092  -5.122  -4.632
  258    H    THR  34           H        THR  34   6.128  -6.649  -0.333
  259    HA   THR  34           HA       THR  34   8.788  -5.574   0.009
  260    HB   THR  34           HB       THR  34   7.736  -3.955   1.472
  261    HG1  THR  34           1HG      THR  34   9.335  -5.958   2.679
  262   1HG2  THR  34          1HG2      THR  34   7.139  -6.160   3.461
  263   2HG2  THR  34          2HG2      THR  34   6.703  -4.548   3.596
  264   3HG2  THR  34          3HG2      THR  34   5.841  -5.571   2.422
  265    H    ALA  35           H        ALA  35   9.686  -7.146   0.513
  266    HA   ALA  35           HA       ALA  35   8.867  -9.944   1.305
  267   1HB   ALA  35          1HB       ALA  35  11.410 -10.246   1.367
  268   2HB   ALA  35          2HB       ALA  35  10.840  -9.960  -0.262
  269   3HB   ALA  35          3HB       ALA  35  11.672  -8.723   0.664
  270    H    SER  36           H        SER  36   9.572 -10.710   3.252
  271    HA   SER  36           HA       SER  36   9.799  -9.125   5.755
  272   1HB   SER  36          1HB       SER  36   8.804 -11.350   5.946
  273   2HB   SER  36          2HB       SER  36  10.262 -12.220   5.479
  274    HG   SER  36           HG       SER  36  11.247 -10.873   7.311
  275    H    TRP  37           H        TRP  37  12.067 -11.038   3.919
  276    HA   TRP  37           HA       TRP  37  14.545  -9.967   5.078
  277   1HB   TRP  37          1HB       TRP  37  15.931 -10.991   3.433
  278   2HB   TRP  37          2HB       TRP  37  14.858 -12.028   4.145
  279    HD1  TRP  37           HD       TRP  37  12.802 -13.313   2.720
  280    HE1  TRP  37           1HE      TRP  37  12.138 -13.483   0.240
  281    HE3  TRP  37           3HE      TRP  37  16.399 -10.111   0.962
  282    HZ2  TRP  37           2HZ      TRP  37  13.471 -12.718  -2.112
  283    HZ3  TRP  37           3HZ      TRP  37  16.703  -9.865  -1.410
  284    HH2  TRP  37           HH       TRP  37  15.237 -11.170  -2.966
  285    H    CYS  38           H        CYS  38  13.211  -7.808   4.982
  286    HA   CYS  38           HA       CYS  38  15.021  -5.814   3.665
  287   1HB   CYS  38          1HB       CYS  38  12.886  -6.214   2.198
  288   2HB   CYS  38          2HB       CYS  38  12.010  -5.830   3.643
  289    HG   CYS  38           HG       CYS  38  14.061  -4.045   1.686
  290    HA   PRO  39           HA       PRO  39  14.811  -4.463   8.184
  291   1HB   PRO  39          1HB       PRO  39  17.507  -3.508   7.606
  292   2HB   PRO  39          2HB       PRO  39  16.797  -4.304   8.998
  293   1HG   PRO  39          1HG       PRO  39  18.285  -5.708   7.162
  294   2HG   PRO  39          2HG       PRO  39  16.879  -6.546   7.920
  295   1HD   PRO  39          1HD       PRO  39  16.947  -5.444   5.066
  296   2HD   PRO  39          2HD       PRO  39  16.265  -6.905   5.558
  297    HA   PRO  40           HA       PRO  40  14.921   0.016   6.042
  298   1HB   PRO  40          1HB       PRO  40  14.587  -1.144   3.118
  299   2HB   PRO  40          2HB       PRO  40  15.304   0.366   3.698
  300   1HG   PRO  40          1HG       PRO  40  16.922  -1.500   2.965
  301   2HG   PRO  40          2HG       PRO  40  17.222  -0.651   4.530
  302   1HD   PRO  40          1HD       PRO  40  15.858  -3.327   4.170
  303   2HD   PRO  40          2HD       PRO  40  17.116  -3.062   5.338
  304    H    CYS  41           H        CYS  41  12.826  -2.674   4.830
  305    HA   CYS  41           HA       CYS  41  10.482  -1.117   5.310
  306   1HB   CYS  41          1HB       CYS  41  10.555  -3.853   4.080
  307   2HB   CYS  41          2HB       CYS  41   9.123  -2.986   4.449
  308    HG   CYS  41           HG       CYS  41  11.503  -2.064   2.425
  309    H    LYS  42           H        LYS  42  11.968  -3.584   7.022
  310    HA   LYS  42           HA       LYS  42  10.074  -3.690   9.134
  311   1HB   LYS  42          1HB       LYS  42  11.819  -5.295   9.267
  312   2HB   LYS  42          2HB       LYS  42  13.061  -4.090   9.637
  313   1HG   LYS  42          1HG       LYS  42  11.807  -3.638  11.808
  314   2HG   LYS  42          2HG       LYS  42  10.562  -4.788  11.297
  315   1HD   LYS  42          1HD       LYS  42  12.336  -6.610  11.188
  316   2HD   LYS  42          2HD       LYS  42  13.446  -5.506  11.887
  317   1HE   LYS  42          1HE       LYS  42  12.662  -6.399  13.847
  318   2HE   LYS  42          2HE       LYS  42  11.633  -4.982  13.701
  319   1HZ   LYS  42          1HZ       LYS  42  10.497  -7.255  14.174
  320   2HZ   LYS  42          2HZ       LYS  42   9.832  -6.317  12.928
  321    H    MET  43           H        MET  43  12.690  -1.180   9.161
  322    HA   MET  43           HA       MET  43  11.161   0.648  10.831
  323   1HB   MET  43          1HB       MET  43  12.132   2.596  10.137
  324   2HB   MET  43          2HB       MET  43  13.269   1.339  10.550
  325   1HG   MET  43          1HG       MET  43  13.824   1.032   8.237
  326   2HG   MET  43          2HG       MET  43  12.479   2.216   7.719
  327   1HE   MET  43          1HE       MET  43  15.071   5.165   7.385
  328   2HE   MET  43          2HE       MET  43  15.584   3.691   6.510
  329   3HE   MET  43          3HE       MET  43  13.919   4.319   6.459
  330    H    ILE  44           H        ILE  44  10.677   0.486   7.328
  331    HA   ILE  44           HA       ILE  44   8.751   2.503   7.126
  332    HB   ILE  44           HB       ILE  44  10.039   1.271   5.051
  333   1HG1  ILE  44          1HG1      ILE  44   8.565   2.753   3.545
  334   2HG1  ILE  44          2HG1      ILE  44   7.553   3.178   5.006
  335   1HG2  ILE  44          1HG2      ILE  44   7.308   0.375   4.437
  336   2HG2  ILE  44          2HG2      ILE  44   8.840   0.077   3.637
  337   3HG2  ILE  44          3HG2      ILE  44   8.562  -0.597   5.275
  338   1HD1  ILE  44          1HD1      ILE  44   9.646   4.177   6.136
  339   2HD1  ILE  44          2HD1      ILE  44  10.462   3.951   4.578
  340   3HD1  ILE  44          3HD1      ILE  44   9.038   4.935   4.646
  341    H    ALA  45           H        ALA  45   7.776  -0.829   7.618
  342    HA   ALA  45           HA       ALA  45   5.031  -0.305   7.420
  343   1HB   ALA  45          1HB       ALA  45   6.292  -2.588   9.252
  344   2HB   ALA  45          2HB       ALA  45   4.572  -2.355   8.820
  345   3HB   ALA  45          3HB       ALA  45   5.770  -2.672   7.567
  346    HA   PRO  46           HA       PRO  46   5.197   1.288  12.229
  347   1HB   PRO  46          1HB       PRO  46   7.983   2.142  12.241
  348   2HB   PRO  46          2HB       PRO  46   7.005   1.572  13.576
  349   1HG   PRO  46          1HG       PRO  46   8.880  -0.132  12.332
  350   2HG   PRO  46          2HG       PRO  46   7.338  -0.761  12.887
  351   1HD   PRO  46          1HD       PRO  46   8.053  -0.305  10.066
  352   2HD   PRO  46          2HD       PRO  46   7.006  -1.427  10.732
  353    H    ILE  47           H        ILE  47   7.047   2.820   9.675
  354    HA   ILE  47           HA       ILE  47   6.115   5.632   9.995
  355    HB   ILE  47           HB       ILE  47   7.536   4.272   7.759
  356   1HG1  ILE  47          1HG1      ILE  47   8.779   4.442   9.787
  357   2HG1  ILE  47          2HG1      ILE  47   9.517   5.372   8.425
  358   1HG2  ILE  47          1HG2      ILE  47   6.054   6.194   6.870
  359   2HG2  ILE  47          2HG2      ILE  47   6.921   7.300   7.978
  360   3HG2  ILE  47          3HG2      ILE  47   7.842   6.544   6.677
  361   1HD1  ILE  47          1HD1      ILE  47   9.648   6.672  10.564
  362   2HD1  ILE  47          2HD1      ILE  47   8.323   7.494   9.592
  363   3HD1  ILE  47          3HD1      ILE  47   7.955   6.302  10.852
  364    H    PHE  48           H        PHE  48   5.299   3.446   7.436
  365    HA   PHE  48           HA       PHE  48   2.871   4.361   6.535
  366   1HB   PHE  48          1HB       PHE  48   4.255   2.209   5.953
  367   2HB   PHE  48          2HB       PHE  48   3.556   1.467   7.236
  368    HD1  PHE  48           1HD      PHE  48   1.450   0.079   6.589
  369    HD2  PHE  48           2HD      PHE  48   3.044   3.192   4.095
  370    HE1  PHE  48           1HE      PHE  48   0.261  -0.844   4.888
  371    HE2  PHE  48           2HE      PHE  48   1.836   2.141   2.148
  372    HZ   PHE  48           HZ       PHE  48   0.405   0.174   2.560
  373    H    ALA  49           H        ALA  49   3.083   2.620   9.677
  374    HA   ALA  49           HA       ALA  49   0.191   2.709  10.415
  375   1HB   ALA  49          1HB       ALA  49   1.838   1.111  11.252
  376   2HB   ALA  49          2HB       ALA  49   2.875   2.384  11.951
  377   3HB   ALA  49          3HB       ALA  49   1.259   1.992  12.604
  378    H    GLU  50           H        GLU  50   3.052   4.862  11.286
  379    HA   GLU  50           HA       GLU  50   1.571   6.781  12.870
  380   1HB   GLU  50          1HB       GLU  50   4.123   6.270  12.795
  381   2HB   GLU  50          2HB       GLU  50   4.103   7.213  11.346
  382   1HG   GLU  50          1HG       GLU  50   2.995   8.468  13.873
  383   2HG   GLU  50          2HG       GLU  50   4.744   8.370  13.550
  384    HE2  GLU  50           HE       GLU  50   2.190  10.938  11.744
  385    H    LEU  51           H        LEU  51   2.685   7.214   9.307
  386    HA   LEU  51           HA       LEU  51   0.833   9.180   8.623
  387   1HB   LEU  51          1HB       LEU  51   2.574   8.660   7.319
  388   2HB   LEU  51          2HB       LEU  51   2.458   6.897   7.368
  389    HG   LEU  51           HG       LEU  51   2.320   8.105   5.129
  390   1HD1  LEU  51          1HD1      LEU  51   0.083   6.185   5.813
  391   2HD1  LEU  51          2HD1      LEU  51   0.403   6.802   4.211
  392   3HD1  LEU  51          3HD1      LEU  51   1.696   5.919   5.091
  393   1HD2  LEU  51          1HD2      LEU  51   0.979  10.155   5.992
  394   2HD2  LEU  51          2HD2      LEU  51   0.619   9.523   4.409
  395   3HD2  LEU  51          3HD2      LEU  51  -0.506   9.114   5.782
  396    H    ALA  52           H        ALA  52  -0.076   5.671   8.759
  397    HA   ALA  52           HA       ALA  52  -2.706   6.090   7.660
  398   1HB   ALA  52          1HB       ALA  52  -1.642   3.860   7.810
  399   2HB   ALA  52          2HB       ALA  52  -1.918   3.939   9.593
  400   3HB   ALA  52          3HB       ALA  52  -3.347   3.797   8.509
  401    H    LYS  53           H        LYS  53  -1.623   6.551  10.781
  402    HA   LYS  53           HA       LYS  53  -4.118   7.023  12.326
  403   1HB   LYS  53          1HB       LYS  53  -1.379   7.853  13.171
  404   2HB   LYS  53          2HB       LYS  53  -2.781   8.012  14.124
  405   1HG   LYS  53          1HG       LYS  53  -3.307   5.681  14.253
  406   2HG   LYS  53          2HG       LYS  53  -1.948   5.176  13.305
  407   1HD   LYS  53          1HD       LYS  53  -2.007   6.449  16.223
  408   2HD   LYS  53          2HD       LYS  53  -1.812   4.765  15.625
  409   1HE   LYS  53          1HE       LYS  53   0.486   5.266  14.550
  410   2HE   LYS  53          2HE       LYS  53   0.226   7.032  14.840
  411   1HZ   LYS  53          1HZ       LYS  53   1.696   5.983  16.386
  412   2HZ   LYS  53          2HZ       LYS  53   0.391   6.745  17.121
  413    H    LYS  54           H        LYS  54  -1.771   9.027  10.462
  414    HA   LYS  54           HA       LYS  54  -2.723  11.732  11.220
  415   1HB   LYS  54          1HB       LYS  54  -0.224  10.916  10.359
  416   2HB   LYS  54          2HB       LYS  54  -1.015  10.934   8.791
  417   1HG   LYS  54          1HG       LYS  54  -1.534  13.173   9.040
  418   2HG   LYS  54          2HG       LYS  54  -0.847  13.357  10.638
  419   1HD   LYS  54          1HD       LYS  54   0.442  12.566   7.954
  420   2HD   LYS  54          2HD       LYS  54   0.743  13.960   8.628
  421   1HE   LYS  54          1HE       LYS  54   1.875  12.718  10.647
  422   2HE   LYS  54          2HE       LYS  54   1.764  11.275   9.601
  423   1HZ   LYS  54          1HZ       LYS  54   3.111  13.869   8.490
  424   2HZ   LYS  54          2HZ       LYS  54   3.905  12.983   9.651
  425    H    PHE  55           H        PHE  55  -3.473   9.492   8.611
  426    HA   PHE  55           HA       PHE  55  -5.094  11.451   7.044
  427   1HB   PHE  55          1HB       PHE  55  -2.656   9.544   6.500
  428   2HB   PHE  55          2HB       PHE  55  -3.832   9.443   5.382
  429    HD1  PHE  55           1HD      PHE  55  -4.795  11.966   4.650
  430    HD2  PHE  55           2HD      PHE  55  -1.012  11.184   6.538
  431    HE1  PHE  55           1HE      PHE  55  -3.884  14.172   3.776
  432    HE2  PHE  55           2HE      PHE  55  -0.136  13.346   5.684
  433    HZ   PHE  55           HZ       PHE  55  -1.596  14.822   4.304
  434    HA   PRO  56           HA       PRO  56  -8.188   8.274   8.430
  435   1HB   PRO  56          1HB       PRO  56 -10.470   9.896   7.883
  436   2HB   PRO  56          2HB       PRO  56  -9.575   9.609   9.338
  437   1HG   PRO  56          1HG       PRO  56  -9.073  11.715   7.210
  438   2HG   PRO  56          2HG       PRO  56  -9.365  12.046   8.871
  439   1HD   PRO  56          1HD       PRO  56  -6.834  11.975   8.120
  440   2HD   PRO  56          2HD       PRO  56  -7.148  10.770   9.393
  441    H    ASN  57           H        ASN  57  -7.966   9.432   5.048
  442    HA   ASN  57           HA       ASN  57 -10.682   8.760   4.089
  443   1HB   ASN  57          1HB       ASN  57 -10.344   9.654   2.061
  444   2HB   ASN  57          2HB       ASN  57 -10.357  10.907   3.221
  445   1HD2  ASN  57          1HD2      ASN  57  -8.133  11.876   3.954
  446   2HD2  ASN  57          2HD2      ASN  57  -6.729  11.943   2.786
  447    H    VAL  58           H        VAL  58  -8.055   7.122   4.775
  448    HA   VAL  58           HA       VAL  58  -7.770   5.558   2.189
  449    HB   VAL  58           HB       VAL  58  -6.553   7.371   1.825
  450   1HG1  VAL  58          1HG1      VAL  58  -5.044   7.432   4.532
  451   2HG1  VAL  58          2HG1      VAL  58  -4.495   8.352   3.201
  452   3HG1  VAL  58          3HG1      VAL  58  -6.184   8.615   3.865
  453   1HG2  VAL  58          1HG2      VAL  58  -4.373   6.682   1.352
  454   2HG2  VAL  58          2HG2      VAL  58  -4.495   5.437   2.627
  455   3HG2  VAL  58          3HG2      VAL  58  -5.614   5.359   1.143
  456    H    THR  59           H        THR  59  -7.923   3.617   2.415
  457    HA   THR  59           HA       THR  59  -7.241   2.002   4.836
  458    HB   THR  59           HB       THR  59  -8.209   1.006   2.071
  459    HG1  THR  59           1HG      THR  59  -9.425   2.288   3.646
  460   1HG2  THR  59          1HG2      THR  59  -8.903  -1.095   3.179
  461   2HG2  THR  59          2HG2      THR  59  -7.152  -0.969   2.949
  462   3HG2  THR  59          3HG2      THR  59  -7.912  -0.652   4.567
  463    H    PHE  60           H        PHE  60  -5.478   0.519   4.927
  464    HA   PHE  60           HA       PHE  60  -3.021   0.933   3.248
  465   1HB   PHE  60          1HB       PHE  60  -3.053   1.401   6.249
  466   2HB   PHE  60          2HB       PHE  60  -1.665   1.069   5.162
  467    HD1  PHE  60           1HD      PHE  60  -1.026   2.694   3.338
  468    HD2  PHE  60           2HD      PHE  60  -4.068   3.640   6.062
  469    HE1  PHE  60           1HE      PHE  60  -0.686   5.138   2.852
  470    HE2  PHE  60           2HE      PHE  60  -3.781   6.082   5.574
  471    HZ   PHE  60           HZ       PHE  60  -2.266   6.804   3.986
  472    H    LEU  61           H        LEU  61  -2.503  -0.876   2.699
  473    HA   LEU  61           HA       LEU  61  -2.312  -3.182   4.497
  474   1HB   LEU  61          1HB       LEU  61  -3.631  -4.537   3.336
  475   2HB   LEU  61          2HB       LEU  61  -4.427  -3.057   3.087
  476    HG   LEU  61           HG       LEU  61  -2.919  -2.988   0.754
  477   1HD1  LEU  61          1HD1      LEU  61  -3.256  -5.912   1.279
  478   2HD1  LEU  61          2HD1      LEU  61  -2.785  -5.204  -0.304
  479   3HD1  LEU  61          3HD1      LEU  61  -1.760  -5.097   1.005
  480   1HD2  LEU  61          1HD2      LEU  61  -5.459  -2.984   1.001
  481   2HD2  LEU  61          2HD2      LEU  61  -4.891  -3.518  -0.555
  482   3HD2  LEU  61          3HD2      LEU  61  -5.365  -4.756   0.690
  483    H    LYS  62           H        LYS  62  -1.071  -4.887   3.850
  484    HA   LYS  62           HA       LYS  62   1.430  -4.134   2.267
  485   1HB   LYS  62          1HB       LYS  62   2.902  -4.586   4.190
  486   2HB   LYS  62          2HB       LYS  62   2.036  -3.214   4.463
  487   1HG   LYS  62          1HG       LYS  62   0.617  -4.615   6.025
  488   2HG   LYS  62          2HG       LYS  62   1.571  -6.017   5.765
  489   1HD   LYS  62          1HD       LYS  62   3.661  -5.066   6.596
  490   2HD   LYS  62          2HD       LYS  62   2.715  -3.546   6.812
  491   1HE   LYS  62          1HE       LYS  62   1.095  -4.859   8.376
  492   2HE   LYS  62          2HE       LYS  62   2.264  -6.239   8.186
  493   1HZ   LYS  62          1HZ       LYS  62   4.058  -4.821   9.022
  494   2HZ   LYS  62          2HZ       LYS  62   2.730  -5.076  10.107
  495    H    VAL  63           H        VAL  63   1.752  -5.565   0.951
  496    HA   VAL  63           HA       VAL  63   1.072  -8.376   1.353
  497    HB   VAL  63           HB       VAL  63   1.820  -6.774  -1.206
  498   1HG1  VAL  63          1HG1      VAL  63   1.603  -8.951  -2.543
  499   2HG1  VAL  63          2HG1      VAL  63   2.831  -9.263  -1.193
  500   3HG1  VAL  63          3HG1      VAL  63   1.156  -9.788  -1.158
  501   1HG2  VAL  63          1HG2      VAL  63  -0.521  -6.541  -0.390
  502   2HG2  VAL  63          2HG2      VAL  63  -0.480  -7.425  -1.871
  503   3HG2  VAL  63          3HG2      VAL  63  -0.856  -8.238  -0.389
  504    H    ASP  64           H        ASP  64   2.445  -9.744   2.343
  505    HA   ASP  64           HA       ASP  64   5.426  -9.709   2.296
  506   1HB   ASP  64          1HB       ASP  64   4.094 -10.648   4.115
  507   2HB   ASP  64          2HB       ASP  64   3.149 -11.713   3.151
  508    HD2  ASP  64           HD       ASP  64   5.513 -14.288   2.840
  509    H    VAL  65           H        VAL  65   6.023  -9.781   0.244
  510    HA   VAL  65           HA       VAL  65   4.711 -11.024  -1.964
  511    HB   VAL  65           HB       VAL  65   6.515  -8.877  -1.770
  512   1HG1  VAL  65          1HG1      VAL  65   8.710  -9.287  -2.694
  513   2HG1  VAL  65          2HG1      VAL  65   8.555 -10.174  -1.160
  514   3HG1  VAL  65          3HG1      VAL  65   8.632 -11.187  -2.591
  515   1HG2  VAL  65          1HG2      VAL  65   6.100 -10.249  -4.396
  516   2HG2  VAL  65          2HG2      VAL  65   5.256  -8.960  -3.656
  517   3HG2  VAL  65          3HG2      VAL  65   7.021  -8.852  -4.103
  518    H    ASP  66           H        ASP  66   6.858 -12.578   0.015
  519    HA   ASP  66           HA       ASP  66   7.682 -14.689  -1.834
  520   1HB   ASP  66          1HB       ASP  66   7.035 -15.011   1.148
  521   2HB   ASP  66          2HB       ASP  66   8.264 -15.996   0.256
  522    HD2  ASP  66           HD       ASP  66   9.227 -12.478   1.797
  523    H    GLU  67           H        GLU  67   4.664 -14.517   0.072
  524    HA   GLU  67           HA       GLU  67   3.514 -16.833  -1.288
  525   1HB   GLU  67          1HB       GLU  67   2.308 -14.623   0.584
  526   2HB   GLU  67          2HB       GLU  67   1.237 -15.527  -0.536
  527   1HG   GLU  67          1HG       GLU  67   3.138 -17.093   1.478
  528   2HG   GLU  67          2HG       GLU  67   1.612 -16.329   1.900
  529    HE2  GLU  67           HE       GLU  67   0.699 -19.652   1.307
  530    H    LEU  68           H        LEU  68   3.475 -13.469  -2.197
  531    HA   LEU  68           HA       LEU  68   1.508 -13.846  -4.542
  532   1HB   LEU  68          1HB       LEU  68   1.606 -11.843  -2.291
  533   2HB   LEU  68          2HB       LEU  68   0.492 -11.805  -3.759
  534    HG   LEU  68           HG       LEU  68   0.211 -13.843  -1.567
  535   1HD1  LEU  68          1HD1      LEU  68  -1.854 -12.505  -1.117
  536   2HD1  LEU  68          2HD1      LEU  68  -0.378 -11.564  -0.729
  537   3HD1  LEU  68          3HD1      LEU  68  -1.278 -11.235  -2.305
  538   1HD2  LEU  68          1HD2      LEU  68  -0.891 -14.613  -3.975
  539   2HD2  LEU  68          2HD2      LEU  68  -2.124 -14.202  -2.961
  540   3HD2  LEU  68          3HD2      LEU  68  -1.580 -12.985  -4.094
  541    H    LYS  69           H        LYS  69   3.643 -13.961  -5.433
  542    HA   LYS  69           HA       LYS  69   5.058 -11.456  -6.186
  543   1HB   LYS  69          1HB       LYS  69   6.881 -12.915  -7.024
  544   2HB   LYS  69          2HB       LYS  69   6.582 -13.050  -5.414
  545   1HG   LYS  69          1HG       LYS  69   5.298 -15.364  -5.979
  546   2HG   LYS  69          2HG       LYS  69   5.634 -15.195  -7.644
  547   1HD   LYS  69          1HD       LYS  69   8.295 -14.798  -7.190
  548   2HD   LYS  69          2HD       LYS  69   7.870 -15.344  -5.561
  549   1HE   LYS  69          1HE       LYS  69   6.911 -17.476  -6.488
  550   2HE   LYS  69          2HE       LYS  69   7.433 -16.911  -8.084
  551   1HZ   LYS  69          1HZ       LYS  69   9.355 -17.285  -5.705
  552   2HZ   LYS  69          2HZ       LYS  69   9.348 -18.206  -6.900
  553    H    ALA  70           H        ALA  70   3.139 -13.946  -7.670
  554    HA   ALA  70           HA       ALA  70   3.374 -13.252 -10.501
  555   1HB   ALA  70          1HB       ALA  70   1.680 -14.595 -11.023
  556   2HB   ALA  70          2HB       ALA  70   2.580 -15.533  -9.709
  557   3HB   ALA  70          3HB       ALA  70   0.970 -14.725  -9.415
  558    H    VAL  71           H        VAL  71   0.942 -12.653  -8.214
  559    HA   VAL  71           HA       VAL  71  -0.417 -10.428  -9.668
  560    HB   VAL  71           HB       VAL  71  -1.593 -11.757  -7.791
  561   1HG1  VAL  71          1HG1      VAL  71  -1.256 -11.295  -5.606
  562   2HG1  VAL  71          2HG1      VAL  71   0.361 -11.543  -6.169
  563   3HG1  VAL  71          3HG1      VAL  71  -0.161  -9.916  -5.772
  564   1HG2  VAL  71          1HG2      VAL  71  -2.846  -9.793  -6.941
  565   2HG2  VAL  71          2HG2      VAL  71  -1.396  -8.724  -7.072
  566   3HG2  VAL  71          3HG2      VAL  71  -2.309  -9.298  -8.623
  567    H    ALA  72           H        ALA  72   2.033 -10.011  -7.047
  568    HA   ALA  72           HA       ALA  72   2.147  -7.269  -6.967
  569   1HB   ALA  72          1HB       ALA  72   4.616  -7.500  -6.299
  570   2HB   ALA  72          2HB       ALA  72   3.563  -8.628  -5.531
  571   3HB   ALA  72          3HB       ALA  72   4.521  -9.201  -6.704
  572    H    GLU  73           H        GLU  73   3.845  -9.452  -9.027
  573    HA   GLU  73           HA       GLU  73   5.150  -7.541 -10.944
  574   1HB   GLU  73          1HB       GLU  73   4.326 -10.271 -11.206
  575   2HB   GLU  73          2HB       GLU  73   5.052  -9.323 -12.544
  576   1HG   GLU  73          1HG       GLU  73   7.136  -9.164 -11.186
  577   2HG   GLU  73          2HG       GLU  73   6.323  -9.921  -9.806
  578    HE2  GLU  73           HE       GLU  73   7.766 -12.117 -12.703
  579    H    GLU  74           H        GLU  74   1.877  -8.946 -11.060
  580    HA   GLU  74           HA       GLU  74   1.166  -7.833 -13.711
  581   1HB   GLU  74          1HB       GLU  74  -0.915  -8.482 -13.755
  582   2HB   GLU  74          2HB       GLU  74  -0.156  -9.793 -12.897
  583   1HG   GLU  74          1HG       GLU  74  -1.474  -9.055 -10.858
  584   2HG   GLU  74          2HG       GLU  74  -2.015  -7.603 -11.754
  585    HE2  GLU  74           HE       GLU  74  -3.246  -8.217 -13.573
  586    H    TRP  75           H        TRP  75   0.502  -6.356 -10.541
  587    HA   TRP  75           HA       TRP  75  -0.955  -4.020 -11.558
  588   1HB   TRP  75          1HB       TRP  75   0.642  -3.945  -8.938
  589   2HB   TRP  75          2HB       TRP  75  -0.648  -2.926  -9.458
  590    HD1  TRP  75           HD       TRP  75   0.042  -5.600  -7.087
  591    HE1  TRP  75           1HE      TRP  75  -2.181  -7.137  -6.338
  592    HE3  TRP  75           3HE      TRP  75  -3.146  -4.505 -10.954
  593    HZ2  TRP  75           2HZ      TRP  75  -4.494  -7.760  -7.456
  594    HZ3  TRP  75           3HZ      TRP  75  -5.359  -5.472 -11.019
  595    HH2  TRP  75           HH       TRP  75  -6.137  -6.961  -9.132
  596    H    ASN  76           H        ASN  76   2.570  -4.540 -10.474
  597    HA   ASN  76           HA       ASN  76   3.916  -4.286 -12.768
  598   1HB   ASN  76          1HB       ASN  76   2.850  -2.125 -13.549
  599   2HB   ASN  76          2HB       ASN  76   3.542  -1.154 -12.316
  600   1HD2  ASN  76          1HD2      ASN  76   5.700  -0.686 -12.584
  601   2HD2  ASN  76          2HD2      ASN  76   6.644  -1.142 -14.129
  602    H    VAL  77           H        VAL  77   4.968  -5.485 -10.771
  603    HA   VAL  77           HA       VAL  77   6.961  -3.822  -9.258
  604    HB   VAL  77           HB       VAL  77   5.225  -6.096  -8.094
  605   1HG1  VAL  77          1HG1      VAL  77   7.135  -4.315  -6.489
  606   2HG1  VAL  77          2HG1      VAL  77   6.280  -5.655  -5.784
  607   3HG1  VAL  77          3HG1      VAL  77   7.533  -5.843  -6.979
  608   1HG2  VAL  77          1HG2      VAL  77   3.783  -4.247  -8.185
  609   2HG2  VAL  77          2HG2      VAL  77   4.160  -4.463  -6.545
  610   3HG2  VAL  77          3HG2      VAL  77   4.920  -3.092  -7.432
  611    H    GLU  78           H        GLU  78   8.650  -4.536 -10.572
  612    HA   GLU  78           HA       GLU  78   9.720  -7.374 -10.531
  613   1HB   GLU  78          1HB       GLU  78  11.631  -6.028 -11.533
  614   2HB   GLU  78          2HB       GLU  78  10.339  -6.438 -12.460
  615   1HG   GLU  78          1HG       GLU  78  10.800  -4.078 -13.129
  616   2HG   GLU  78          2HG       GLU  78   9.340  -4.167 -12.512
  617    HE2  GLU  78           HE       GLU  78  12.375  -3.055 -12.095
  618    H    ALA  79           H        ALA  79   9.499  -4.913  -8.132
  619    HA   ALA  79           HA       ALA  79  12.382  -5.382  -7.163
  620   1HB   ALA  79          1HB       ALA  79  12.759  -2.888  -7.153
  621   2HB   ALA  79          2HB       ALA  79  12.201  -3.468  -8.894
  622   3HB   ALA  79          3HB       ALA  79  11.112  -2.541  -7.712
  623    H    MET  80           H        MET  80  12.739  -5.173  -5.200
  624    HA   MET  80           HA       MET  80  10.857  -4.517  -3.031
  625   1HB   MET  80          1HB       MET  80  13.414  -5.865  -3.168
  626   2HB   MET  80          2HB       MET  80  13.241  -4.765  -1.630
  627   1HG   MET  80          1HG       MET  80  12.336  -7.106  -1.147
  628   2HG   MET  80          2HG       MET  80  11.037  -5.869  -1.171
  629   1HE   MET  80          1HE       MET  80   8.975  -6.326  -2.071
  630   2HE   MET  80          2HE       MET  80   9.438  -5.776  -3.641
  631   3HE   MET  80          3HE       MET  80   8.547  -7.142  -3.512
  632    HA   PRO  81           HA       PRO  81   9.821  -2.869  -3.152
  633   1HB   PRO  81          1HB       PRO  81   9.200  -2.124  -0.614
  634   2HB   PRO  81          2HB       PRO  81  10.387  -3.438  -1.165
  635   1HG   PRO  81          2HG       PRO  81  10.952  -0.648  -0.108
  636   2HG   PRO  81          1HG       PRO  81  12.183  -2.087  -0.004
  637   1HD   PRO  81          1HD       PRO  81  11.814   0.090  -2.093
  638   2HD   PRO  81          2HD       PRO  81  13.281  -0.895  -1.804
  639    H    THR  82           H        THR  82   8.084  -2.244  -3.017
  640    HA   THR  82           HA       THR  82   7.563   0.274  -4.505
  641    HB   THR  82           HB       THR  82   6.394  -2.304  -5.576
  642    HG1  THR  82           1HG      THR  82   8.356  -2.796  -6.159
  643   1HG2  THR  82          1HG2      THR  82   5.184  -0.678  -6.593
  644   2HG2  THR  82          2HG2      THR  82   6.632   0.294  -6.897
  645   3HG2  THR  82          3HG2      THR  82   6.381  -1.298  -7.597
  646    H    PHE  83           H        PHE  83   5.746   1.097  -4.687
  647    HA   PHE  83           HA       PHE  83   3.541   0.457  -2.751
  648   1HB   PHE  83          1HB       PHE  83   5.022   3.210  -2.775
  649   2HB   PHE  83          2HB       PHE  83   3.478   2.818  -1.872
  650    HD1  PHE  83           1HD      PHE  83   6.910   2.170  -1.982
  651    HD2  PHE  83           2HD      PHE  83   3.520   1.420   0.290
  652    HE1  PHE  83           1HE      PHE  83   8.326   1.613   0.144
  653    HE2  PHE  83           2HE      PHE  83   4.729   1.145   2.353
  654    HZ   PHE  83           HZ       PHE  83   7.205   1.429   2.287
  655    H    ILE  84           H        ILE  84   1.854   0.445  -3.771
  656    HA   ILE  84           HA       ILE  84   1.347   1.947  -6.339
  657    HB   ILE  84           HB       ILE  84   1.209  -0.759  -5.265
  658   1HG1  ILE  84          1HG1      ILE  84   1.739   0.210  -8.199
  659   2HG1  ILE  84          2HG1      ILE  84   3.040   0.229  -7.114
  660   1HG2  ILE  84          1HG2      ILE  84  -0.727   0.496  -7.079
  661   2HG2  ILE  84          2HG2      ILE  84  -0.456  -1.248  -7.502
  662   3HG2  ILE  84          3HG2      ILE  84  -1.089  -0.781  -5.901
  663   1HD1  ILE  84          1HD1      ILE  84   2.669  -2.392  -6.699
  664   2HD1  ILE  84          2HD1      ILE  84   1.425  -2.291  -7.804
  665   3HD1  ILE  84          3HD1      ILE  84   3.033  -1.828  -8.337
  666    H    PHE  85           H        PHE  85  -0.554   2.797  -6.644
  667    HA   PHE  85           HA       PHE  85  -2.188   3.733  -4.280
  668   1HB   PHE  85          1HB       PHE  85  -0.967   5.181  -6.575
  669   2HB   PHE  85          2HB       PHE  85  -2.182   5.930  -5.611
  670    HD1  PHE  85           1HD      PHE  85   1.324   4.583  -5.603
  671    HD2  PHE  85           2HD      PHE  85  -1.579   6.591  -3.224
  672    HE1  PHE  85           1HE      PHE  85   3.153   5.280  -3.868
  673    HE2  PHE  85           2HE      PHE  85   0.030   7.246  -1.658
  674    HZ   PHE  85           HZ       PHE  85   2.331   6.466  -1.786
  675    H    LEU  86           H        LEU  86  -3.999   2.771  -4.653
  676    HA   LEU  86           HA       LEU  86  -5.314   2.703  -7.440
  677   1HB   LEU  86          1HB       LEU  86  -4.385   0.449  -5.841
  678   2HB   LEU  86          2HB       LEU  86  -5.918   0.690  -5.362
  679    HG   LEU  86           HG       LEU  86  -5.996  -1.012  -6.723
  680   1HD1  LEU  86          1HD1      LEU  86  -7.912  -0.019  -8.367
  681   2HD1  LEU  86          2HD1      LEU  86  -8.054   0.391  -6.692
  682   3HD1  LEU  86          3HD1      LEU  86  -7.319   1.591  -7.797
  683   1HD2  LEU  86          1HD2      LEU  86  -5.388  -0.844  -9.170
  684   2HD2  LEU  86          2HD2      LEU  86  -4.810   0.788  -8.795
  685   3HD2  LEU  86          3HD2      LEU  86  -4.075  -0.785  -8.030
  686    H    LYS  87           H        LYS  87  -6.745   4.034  -7.185
  687    HA   LYS  87           HA       LYS  87  -8.624   4.755  -4.974
  688   1HB   LYS  87          1HB       LYS  87  -6.969   6.359  -6.345
  689   2HB   LYS  87          2HB       LYS  87  -8.326   6.400  -7.497
  690   1HG   LYS  87          1HG       LYS  87  -9.823   6.969  -5.453
  691   2HG   LYS  87          2HG       LYS  87  -8.495   7.043  -4.566
  692   1HD   LYS  87          1HD       LYS  87  -7.230   8.770  -5.922
  693   2HD   LYS  87          2HD       LYS  87  -8.545   8.683  -7.108
  694   1HE   LYS  87          1HE       LYS  87 -10.232   9.797  -5.641
  695   2HE   LYS  87          2HE       LYS  87  -9.088   9.755  -4.256
  696   1HZ   LYS  87          1HZ       LYS  87  -7.559  11.172  -5.705
  697   2HZ   LYS  87          2HZ       LYS  87  -8.749  11.051  -6.861
  698    H    ASP  88           H        ASP  88 -10.958   4.890  -5.236
  699    HA   ASP  88           HA       ASP  88 -12.203   3.813  -7.409
  700   1HB   ASP  88          1HB       ASP  88 -14.194   5.097  -7.024
  701   2HB   ASP  88          2HB       ASP  88 -13.406   4.669  -5.470
  702    HD2  ASP  88           HD       ASP  88 -12.725   7.742  -4.157
  703    H    GLY  89           H        GLY  89 -10.291   4.470  -8.726
  704   1HA   GLY  89          1HA       GLY  89 -11.366   5.690 -11.204
  705   2HA   GLY  89          2HA       GLY  89 -10.079   6.743 -10.605
  706    H    LYS  90           H        LYS  90  -9.867   3.362 -10.186
  707    HA   LYS  90           HA       LYS  90  -8.275   1.633 -10.677
  708   1HB   LYS  90          1HB       LYS  90  -8.243   3.042 -13.411
  709   2HB   LYS  90          2HB       LYS  90  -7.257   1.726 -13.151
  710   1HG   LYS  90          1HG       LYS  90  -8.935   0.077 -12.637
  711   2HG   LYS  90          2HG       LYS  90 -10.321   1.351 -12.719
  712   1HD   LYS  90          1HD       LYS  90  -8.518   0.445 -15.082
  713   2HD   LYS  90          2HD       LYS  90 -10.087  -0.185 -14.703
  714   1HE   LYS  90          1HE       LYS  90 -11.081   2.063 -14.942
  715   2HE   LYS  90          2HE       LYS  90  -9.668   2.851 -15.408
  716   1HZ   LYS  90          1HZ       LYS  90 -10.772   2.087 -17.486
  717   2HZ   LYS  90          2HZ       LYS  90 -10.913   0.522 -16.960
  718    H    LEU  91           H        LEU  91  -5.885   2.122 -11.981
  719    HA   LEU  91           HA       LEU  91  -4.209   2.707  -9.566
  720   1HB   LEU  91          1HB       LEU  91  -3.510   1.014 -11.415
  721   2HB   LEU  91          2HB       LEU  91  -3.275   2.317 -12.526
  722    HG   LEU  91           HG       LEU  91  -1.652   3.261 -10.971
  723   1HD1  LEU  91          1HD1      LEU  91  -1.832   2.186  -8.963
  724   2HD1  LEU  91          2HD1      LEU  91  -1.836   0.518  -9.679
  725   3HD1  LEU  91          3HD1      LEU  91  -0.177   1.518  -9.546
  726   1HD2  LEU  91          1HD2      LEU  91   0.380   1.902 -11.670
  727   2HD2  LEU  91          2HD2      LEU  91  -0.825   0.479 -12.048
  728   3HD2  LEU  91          3HD2      LEU  91  -0.811   1.926 -13.068
  729    H    VAL  92           H        VAL  92  -4.686   4.804  -9.201
  730    HA   VAL  92           HA       VAL  92  -3.808   7.058 -10.778
  731    HB   VAL  92           HB       VAL  92  -3.974   8.513  -8.736
  732   1HG1  VAL  92          1HG1      VAL  92  -6.247   6.498  -9.190
  733   2HG1  VAL  92          2HG1      VAL  92  -6.516   8.159  -8.418
  734   3HG1  VAL  92          3HG1      VAL  92  -6.127   8.109 -10.116
  735   1HG2  VAL  92          1HG2      VAL  92  -4.565   6.109  -6.927
  736   2HG2  VAL  92          2HG2      VAL  92  -3.185   7.261  -6.983
  737   3HG2  VAL  92          3HG2      VAL  92  -4.854   7.867  -6.672
  738    H    ASP  93           H        ASP  93  -1.601   5.139  -8.730
  739    HA   ASP  93           HA       ASP  93   0.639   6.463 -10.002
  740   1HB   ASP  93          1HB       ASP  93  -0.160   8.044  -8.057
  741   2HB   ASP  93          2HB       ASP  93   0.427   6.910  -6.904
  742    HD2  ASP  93           HD       ASP  93   0.941   9.066  -9.431
  743    H    LYS  94           H        LYS  94   2.700   5.719  -9.036
  744    HA   LYS  94           HA       LYS  94   2.980   3.224  -7.416
  745   1HB   LYS  94          1HB       LYS  94   3.792   1.809  -9.035
  746   2HB   LYS  94          2HB       LYS  94   2.108   2.194  -9.601
  747   1HG   LYS  94          1HG       LYS  94   3.401   3.745 -11.228
  748   2HG   LYS  94          2HG       LYS  94   4.871   2.943 -10.651
  749   1HD   LYS  94          1HD       LYS  94   4.178   0.810 -11.286
  750   2HD   LYS  94          2HD       LYS  94   2.541   1.305 -11.942
  751   1HE   LYS  94          1HE       LYS  94   5.240   2.193 -13.140
  752   2HE   LYS  94          2HE       LYS  94   4.360   1.080 -13.847
  753   1HZ   LYS  94          1HZ       LYS  94   2.596   2.925 -14.172
  754   2HZ   LYS  94          2HZ       LYS  94   4.101   3.490 -14.683
  755    H    THR  95           H        THR  95   5.098   3.240  -6.729
  756    HA   THR  95           HA       THR  95   7.269   5.053  -7.523
  757    HB   THR  95           HB       THR  95   5.845   5.500  -4.936
  758    HG1  THR  95           1HG      THR  95   4.844   6.626  -6.592
  759   1HG2  THR  95          1HG2      THR  95   8.198   5.827  -4.458
  760   2HG2  THR  95          2HG2      THR  95   8.574   6.415  -6.096
  761   3HG2  THR  95          3HG2      THR  95   7.774   7.444  -4.873
  762    H    VAL  96           H        VAL  96   9.198   4.237  -6.369
  763    HA   VAL  96           HA       VAL  96   8.961   1.649  -4.804
  764    HB   VAL  96           HB       VAL  96   8.940   0.601  -6.698
  765   1HG1  VAL  96          1HG1      VAL  96  11.124   1.964  -8.256
  766   2HG1  VAL  96          2HG1      VAL  96   9.721   1.086  -8.875
  767   3HG1  VAL  96          3HG1      VAL  96   9.493   2.725  -8.403
  768   1HG2  VAL  96          1HG2      VAL  96  11.704   0.739  -5.919
  769   2HG2  VAL  96          2HG2      VAL  96  10.537  -0.440  -5.394
  770   3HG2  VAL  96          3HG2      VAL  96  11.019  -0.564  -7.096
  771    H    GLY  97           H        GLY  97  10.041   2.115  -3.123
  772   1HA   GLY  97          1HA       GLY  97  12.724   2.582  -2.816
  773   2HA   GLY  97          2HA       GLY  97  12.135   4.275  -2.593
  774    H    ALA  98           H        ALA  98  12.677   4.467  -0.613
  775    HA   ALA  98           HA       ALA  98  10.906   3.525   1.555
  776   1HB   ALA  98          1HB       ALA  98  13.796   2.175   1.911
  777   2HB   ALA  98          2HB       ALA  98  12.444   2.161   2.962
  778   3HB   ALA  98          3HB       ALA  98  12.282   1.240   1.400
  779    H    ASP  99           H        ASP  99  10.914   5.394   2.510
  780    HA   ASP  99           HA       ASP  99  13.228   6.706   3.751
  781   1HB   ASP  99          1HB       ASP  99  13.161   7.589   1.382
  782   2HB   ASP  99          2HB       ASP  99  11.560   8.113   1.668
  783    HD2  ASP  99           HD       ASP  99  14.647  10.006   3.516
  784    H    LYS 100           H        LYS 100  12.640   7.363   5.621
  785    HA   LYS 100           HA       LYS 100   9.915   7.196   6.665
  786   1HB   LYS 100          1HB       LYS 100  10.823   8.056   8.878
  787   2HB   LYS 100          2HB       LYS 100  12.010   7.098   8.147
  788   1HG   LYS 100          1HG       LYS 100  12.965   9.774   7.412
  789   2HG   LYS 100          2HG       LYS 100  11.646  10.004   8.636
  790   1HD   LYS 100          1HD       LYS 100  12.588   8.632  10.293
  791   2HD   LYS 100          2HD       LYS 100  13.945   8.188   9.260
  792   1HE   LYS 100          1HE       LYS 100  14.599  10.802   9.157
  793   2HE   LYS 100          2HE       LYS 100  13.246  11.212  10.051
  794   1HZ   LYS 100          1HZ       LYS 100  15.338   9.369  11.015
  795   2HZ   LYS 100          2HZ       LYS 100  15.427  10.937  11.287
  796    H    ASP 101           H        ASP 101  11.050   9.969   5.196
  797    HA   ASP 101           HA       ASP 101   8.757  11.735   5.945
  798   1HB   ASP 101          1HB       ASP 101  10.111  13.676   5.163
  799   2HB   ASP 101          2HB       ASP 101  10.826  12.897   6.533
  800    HD2  ASP 101           HD       ASP 101  12.675  13.403   3.064
  801    H    GLY 102           H        GLY 102  10.623  10.698   3.119
  802   1HA   GLY 102          1HA       GLY 102   9.376  11.850   0.912
  803   2HA   GLY 102          2HA       GLY 102  10.091  10.253   0.965
  804    H    LEU 103           H        LEU 103   8.367   9.004   2.586
  805    HA   LEU 103           HA       LEU 103   6.009   8.232   0.921
  806   1HB   LEU 103          1HB       LEU 103   7.330   6.496   1.689
  807   2HB   LEU 103          2HB       LEU 103   7.351   7.055   3.294
  808    HG   LEU 103           HG       LEU 103   4.781   6.642   3.312
  809   1HD1  LEU 103          1HD1      LEU 103   4.128   4.651   1.429
  810   2HD1  LEU 103          2HD1      LEU 103   4.140   6.369   0.902
  811   3HD1  LEU 103          3HD1      LEU 103   5.461   5.230   0.640
  812   1HD2  LEU 103          1HD2      LEU 103   5.014   4.153   3.840
  813   2HD2  LEU 103          2HD2      LEU 103   6.568   4.151   2.968
  814   3HD2  LEU 103          3HD2      LEU 103   6.253   5.187   4.496
  815    HA   PRO 104           HA       PRO 104   3.343  10.294   4.431
  816   1HB   PRO 104          1HB       PRO 104   5.341  12.222   5.512
  817   2HB   PRO 104          2HB       PRO 104   3.981  11.522   6.248
  818   1HG   PRO 104          1HG       PRO 104   6.457  10.584   6.801
  819   2HG   PRO 104          2HG       PRO 104   5.160   9.450   6.655
  820   1HD   PRO 104          1HD       PRO 104   7.205   9.859   4.433
  821   2HD   PRO 104          2HD       PRO 104   6.228   8.345   4.745
  822    H    THR 105           H        THR 105   5.809  12.085   2.393
  823    HA   THR 105           HA       THR 105   4.291  14.514   1.826
  824    HB   THR 105           HB       THR 105   6.758  13.397   0.648
  825    HG1  THR 105           1HG      THR 105   7.496  15.371   1.855
  826   1HG2  THR 105          1HG2      THR 105   5.837  15.005  -1.071
  827   2HG2  THR 105          2HG2      THR 105   5.759  16.311   0.159
  828   3HG2  THR 105          3HG2      THR 105   7.269  15.570  -0.449
  829    H    LEU 106           H        LEU 106   4.934  11.477   0.187
  830    HA   LEU 106           HA       LEU 106   3.736  12.021  -2.350
  831   1HB   LEU 106          1HB       LEU 106   5.470  10.582  -2.294
  832   2HB   LEU 106          2HB       LEU 106   4.831   9.483  -1.033
  833    HG   LEU 106           HG       LEU 106   2.955   8.748  -2.568
  834   1HD1  LEU 106          1HD1      LEU 106   2.921   8.984  -4.746
  835   2HD1  LEU 106          2HD1      LEU 106   2.997  10.661  -4.422
  836   3HD1  LEU 106          3HD1      LEU 106   4.425   9.720  -5.110
  837   1HD2  LEU 106          1HD2      LEU 106   4.321   7.251  -3.823
  838   2HD2  LEU 106          2HD2      LEU 106   5.772   7.923  -3.695
  839   3HD2  LEU 106          3HD2      LEU 106   4.869   7.159  -2.144
  840    H    VAL 107           H        VAL 107   2.516  10.181   0.423
  841    HA   VAL 107           HA       VAL 107  -0.225   9.724  -0.636
  842    HB   VAL 107           HB       VAL 107   1.178   9.518   2.146
  843   1HG1  VAL 107          1HG1      VAL 107  -1.164   9.839   2.913
  844   2HG1  VAL 107          2HG1      VAL 107  -1.911   8.955   1.689
  845   3HG1  VAL 107          3HG1      VAL 107  -0.840   8.064   2.785
  846   1HG2  VAL 107          1HG2      VAL 107   0.738   7.010   1.681
  847   2HG2  VAL 107          2HG2      VAL 107  -0.119   7.560   0.265
  848   3HG2  VAL 107          3HG2      VAL 107   1.604   7.814   0.298
  849    H    ALA 108           H        ALA 108   1.130  12.206   1.617
  850    HA   ALA 108           HA       ALA 108  -1.164  13.814   1.865
  851   1HB   ALA 108          1HB       ALA 108   0.350  15.814   2.097
  852   2HB   ALA 108          2HB       ALA 108   1.084  14.520   2.977
  853   3HB   ALA 108          3HB       ALA 108   1.651  14.838   1.334
  854    H    LYS 109           H        LYS 109   0.966  14.121  -0.912
  855    HA   LYS 109           HA       LYS 109  -0.722  15.873  -2.436
  856   1HB   LYS 109          1HB       LYS 109   1.276  13.915  -3.520
  857   2HB   LYS 109          2HB       LYS 109   0.396  15.188  -4.423
  858   1HG   LYS 109          1HG       LYS 109   1.519  16.985  -3.125
  859   2HG   LYS 109          2HG       LYS 109   2.393  15.743  -2.045
  860   1HD   LYS 109          1HD       LYS 109   3.482  14.699  -4.171
  861   2HD   LYS 109          2HD       LYS 109   2.884  16.034  -5.095
  862   1HE   LYS 109          1HE       LYS 109   4.341  17.583  -3.887
  863   2HE   LYS 109          2HE       LYS 109   4.588  16.320  -2.647
  864   1HZ   LYS 109          1HZ       LYS 109   5.832  15.144  -4.387
  865   2HZ   LYS 109          2HZ       LYS 109   5.315  16.226  -5.509
  866    H    HIS 110           H        HIS 110  -0.844  12.406  -2.326
  867    HA   HIS 110           HA       HIS 110  -2.816  12.086  -4.537
  868   1HB   HIS 110          1HB       HIS 110  -1.478  10.253  -2.507
  869   2HB   HIS 110          2HB       HIS 110  -2.958   9.670  -3.156
  870    HD1  HIS 110           1HD      HIS 110  -3.331   9.297  -5.822
  871    HD2  HIS 110           2HD      HIS 110   0.477  10.599  -4.492
  872    HE1  HIS 110           1HE      HIS 110  -1.689   9.831  -7.837
  873    H    ALA 111           H        ALA 111  -3.072  11.756  -0.790
  874    HA   ALA 111           HA       ALA 111  -5.883  11.579  -0.574
  875   1HB   ALA 111          1HB       ALA 111  -5.556  12.421   1.697
  876   2HB   ALA 111          2HB       ALA 111  -4.694  11.037   1.297
  877   3HB   ALA 111          3HB       ALA 111  -3.884  12.650   1.426
  878    H    THR 112           H        THR 112  -3.992  14.589  -0.802
  879    HA   THR 112           HA       THR 112  -6.336  16.500  -0.528
  880    HB   THR 112           HB       THR 112  -3.645  17.009  -1.875
  881    HG1  THR 112           1HG      THR 112  -3.711  16.133   0.283
  882   1HG2  THR 112          1HG2      THR 112  -5.217  19.003  -2.315
  883   2HG2  THR 112          2HG2      THR 112  -5.566  19.084  -0.615
  884   3HG2  THR 112          3HG2      THR 112  -3.901  19.384  -1.145
  885    H    ALA 113           H        ALA 113  -4.667  15.554  -3.573
  886    HA   ALA 113           HA       ALA 113  -6.600  16.393  -5.483
  887   1HB   ALA 113          1HB       ALA 113  -5.104  13.704  -5.724
  888   2HB   ALA 113          2HB       ALA 113  -5.736  14.901  -7.010
  889   3HB   ALA 113          3HB       ALA 113  -4.316  15.353  -6.057
  890    HXT  ALA 113           HO       ALA 113  -8.221  13.074  -3.812
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1 -14.870  10.322  15.451
    2   2H    ALA   1          2H        ALA   1 -14.066  10.984  16.637
    3    HA   ALA   1           HA       ALA   1 -11.911   9.959  15.910
    4   1HB   ALA   1          1HB       ALA   1 -12.192   8.014  17.135
    5   2HB   ALA   1          2HB       ALA   1 -13.314   9.189  17.882
    6   3HB   ALA   1          3HB       ALA   1 -13.947   7.944  16.697
    7    H    GLU   2           H        GLU   2 -11.097   9.499  13.947
    8    HA   GLU   2           HA       GLU   2 -12.070   7.295  12.328
    9   1HB   GLU   2          1HB       GLU   2 -13.522   9.519  11.589
   10   2HB   GLU   2          2HB       GLU   2 -11.974   9.983  10.881
   11   1HG   GLU   2          1HG       GLU   2 -11.989   7.881   9.465
   12   2HG   GLU   2          2HG       GLU   2 -13.394   7.314  10.454
   13    HE2  GLU   2           HE       GLU   2 -13.934  10.472   8.015
   14    H    GLU   3           H        GLU   3 -10.609   6.454  11.220
   15    HA   GLU   3           HA       GLU   3  -8.122   7.903  10.308
   16   1HB   GLU   3          1HB       GLU   3  -6.462   6.553  11.383
   17   2HB   GLU   3          2HB       GLU   3  -7.361   7.555  12.532
   18   1HG   GLU   3          1HG       GLU   3  -8.599   5.555  13.313
   19   2HG   GLU   3          2HG       GLU   3  -7.760   4.479  12.012
   20    HE2  GLU   3           HE       GLU   3  -5.939   5.478  15.490
   21    H    GLY   4           H        GLY   4  -6.532   6.571   9.314
   22   1HA   GLY   4          1HA       GLY   4  -7.444   4.244   7.538
   23   2HA   GLY   4          2HA       GLY   4  -5.818   4.872   7.566
   24    H    GLN   5           H        GLN   5  -5.657   2.435   7.453
   25    HA   GLN   5           HA       GLN   5  -5.134   1.312  10.025
   26   1HB   GLN   5          1HB       GLN   5  -6.900  -0.270  10.250
   27   2HB   GLN   5          2HB       GLN   5  -7.604   1.199  10.127
   28   1HG   GLN   5          1HG       GLN   5  -7.965   0.577   7.414
   29   2HG   GLN   5          2HG       GLN   5  -7.455  -0.926   8.047
   30   1HE2  GLN   5          1HE2      GLN   5  -8.926  -2.108   9.352
   31   2HE2  GLN   5          2HE2      GLN   5 -10.696  -1.717   9.333
   32    H    VAL   6           H        VAL   6  -3.460   0.434   9.516
   33    HA   VAL   6           HA       VAL   6  -2.665  -0.955   7.284
   34    HB   VAL   6           HB       VAL   6  -1.218  -1.061   9.968
   35   1HG1  VAL   6          1HG1      VAL   6   0.790  -1.659   8.439
   36   2HG1  VAL   6          2HG1      VAL   6  -0.368  -2.904   8.864
   37   3HG1  VAL   6          3HG1      VAL   6  -0.544  -2.179   7.277
   38   1HG2  VAL   6          1HG2      VAL   6  -0.650   0.733   7.480
   39   2HG2  VAL   6          2HG2      VAL   6  -1.308   1.256   9.092
   40   3HG2  VAL   6          3HG2      VAL   6   0.323   0.655   9.019
   41    H    ILE   7           H        ILE   7  -3.279  -2.997   6.762
   42    HA   ILE   7           HA       ILE   7  -3.898  -5.267   8.614
   43    HB   ILE   7           HB       ILE   7  -5.880  -4.155   7.621
   44   1HG1  ILE   7          1HG1      ILE   7  -6.248  -6.174   8.771
   45   2HG1  ILE   7          2HG1      ILE   7  -7.141  -6.145   7.188
   46   1HG2  ILE   7          1HG2      ILE   7  -5.264  -3.740   5.328
   47   2HG2  ILE   7          2HG2      ILE   7  -4.935  -5.436   4.958
   48   3HG2  ILE   7          3HG2      ILE   7  -6.543  -4.922   5.251
   49   1HD1  ILE   7          1HD1      ILE   7  -4.765  -7.755   7.580
   50   2HD1  ILE   7          2HD1      ILE   7  -6.459  -8.355   7.555
   51   3HD1  ILE   7          3HD1      ILE   7  -5.661  -7.716   5.980
   52    H    ALA   8           H        ALA   8  -2.447  -6.907   8.538
   53    HA   ALA   8           HA       ALA   8  -0.367  -7.508   6.622
   54   1HB   ALA   8          1HB       ALA   8   0.141  -9.385   8.012
   55   2HB   ALA   8          2HB       ALA   8  -0.147  -8.019   8.890
   56   3HB   ALA   8          3HB       ALA   8  -1.488  -9.158   8.870
   57    H    CYS   9           H        CYS   9  -0.444  -8.680   4.900
   58    HA   CYS   9           HA       CYS   9  -2.846 -10.255   4.033
   59   1HB   CYS   9          1HB       CYS   9  -1.447  -7.964   2.804
   60   2HB   CYS   9          2HB       CYS   9  -2.394  -9.062   1.861
   61    HG   CYS   9           HG       CYS   9  -3.454  -6.674   3.214
   62    H    HIS  10           H        HIS  10  -2.484 -11.882   2.635
   63    HA   HIS  10           HA       HIS  10   0.139 -13.103   2.168
   64   1HB   HIS  10          1HB       HIS  10  -1.715 -14.315   4.380
   65   2HB   HIS  10          2HB       HIS  10  -0.327 -15.091   3.723
   66    HD1  HIS  10           1HD      HIS  10   2.063 -13.511   3.961
   67    HD2  HIS  10           2HD      HIS  10  -1.279 -12.628   6.394
   68    HE1  HIS  10           1HE      HIS  10   2.833 -12.116   6.078
   69    H    THR  11           H        THR  11  -3.047 -13.194   1.248
   70    HA   THR  11           HA       THR  11  -2.849 -15.717  -0.316
   71    HB   THR  11           HB       THR  11  -4.811 -16.760   0.627
   72    HG1  THR  11           1HG      THR  11  -5.852 -15.826   2.459
   73   1HG2  THR  11          1HG2      THR  11  -2.725 -17.270   1.896
   74   2HG2  THR  11          2HG2      THR  11  -3.080 -16.132   3.113
   75   3HG2  THR  11          3HG2      THR  11  -4.138 -17.476   2.858
   76    H    VAL  12           H        VAL  12  -5.089 -15.991  -1.265
   77    HA   VAL  12           HA       VAL  12  -6.036 -13.718  -2.728
   78    HB   VAL  12           HB       VAL  12  -6.438 -15.960  -3.520
   79   1HG1  VAL  12          1HG1      VAL  12  -8.851 -16.043  -1.624
   80   2HG1  VAL  12          2HG1      VAL  12  -8.344 -17.316  -2.839
   81   3HG1  VAL  12          3HG1      VAL  12  -7.399 -17.021  -1.406
   82   1HG2  VAL  12          1HG2      VAL  12  -7.445 -14.135  -4.541
   83   2HG2  VAL  12          2HG2      VAL  12  -8.507 -15.624  -4.703
   84   3HG2  VAL  12          3HG2      VAL  12  -8.976 -14.174  -3.644
   85    H    ASP  13           H        ASP  13  -6.521 -14.030   0.506
   86    HA   ASP  13           HA       ASP  13  -9.175 -12.813   0.867
   87   1HB   ASP  13          1HB       ASP  13  -6.799 -13.320   2.762
   88   2HB   ASP  13          2HB       ASP  13  -8.031 -12.086   3.184
   89    HD2  ASP  13           HD       ASP  13  -9.208 -12.949   4.484
   90    H    THR  14           H        THR  14  -5.870 -11.498   0.930
   91    HA   THR  14           HA       THR  14  -6.603  -8.754   0.856
   92    HB   THR  14           HB       THR  14  -4.257  -9.569   1.029
   93    HG1  THR  14           1HG      THR  14  -3.474  -7.659   0.299
   94   1HG2  THR  14          1HG2      THR  14  -4.217 -10.759  -1.357
   95   2HG2  THR  14          2HG2      THR  14  -3.996  -9.194  -1.975
   96   3HG2  THR  14          3HG2      THR  14  -2.702  -9.767  -0.842
   97    H    TRP  15           H        TRP  15  -6.528 -10.974  -1.880
   98    HA   TRP  15           HA       TRP  15  -6.973  -9.005  -4.042
   99   1HB   TRP  15          1HB       TRP  15  -7.428 -12.000  -3.786
  100   2HB   TRP  15          2HB       TRP  15  -8.404 -11.348  -4.833
  101    HD1  TRP  15           HD       TRP  15  -4.768 -12.390  -4.647
  102    HE1  TRP  15           1HE      TRP  15  -3.565 -11.941  -6.893
  103    HE3  TRP  15           3HE      TRP  15  -8.147  -9.021  -6.589
  104    HZ2  TRP  15           2HZ      TRP  15  -4.214 -10.443  -9.365
  105    HZ3  TRP  15           3HZ      TRP  15  -7.771  -8.151  -8.974
  106    HH2  TRP  15           HH       TRP  15  -5.882  -9.086 -10.321
  107    H    LYS  16           H        LYS  16  -9.481 -10.831  -1.986
  108    HA   LYS  16           HA       LYS  16 -11.730  -9.286  -2.905
  109   1HB   LYS  16          1HB       LYS  16 -11.346 -10.577  -0.223
  110   2HB   LYS  16          2HB       LYS  16 -12.819  -9.734  -0.761
  111   1HG   LYS  16          1HG       LYS  16 -13.154 -11.289  -2.533
  112   2HG   LYS  16          2HG       LYS  16 -11.804 -12.106  -2.243
  113   1HD   LYS  16          1HD       LYS  16 -14.271 -12.107  -0.650
  114   2HD   LYS  16          2HD       LYS  16 -13.643 -13.596  -1.318
  115   1HE   LYS  16          1HE       LYS  16 -11.761 -13.748   0.115
  116   2HE   LYS  16          2HE       LYS  16 -12.117 -12.233   0.943
  117   1HZ   LYS  16          1HZ       LYS  16 -12.943 -14.228   2.121
  118   2HZ   LYS  16          2HZ       LYS  16 -14.104 -13.092   1.966
  119    H    GLU  17           H        GLU  17  -9.376  -8.422  -0.298
  120    HA   GLU  17           HA       GLU  17 -10.726  -5.991   0.767
  121   1HB   GLU  17          1HB       GLU  17  -7.959  -7.121   0.964
  122   2HB   GLU  17          2HB       GLU  17  -8.112  -5.546   1.632
  123   1HG   GLU  17          1HG       GLU  17  -9.856  -6.472   3.151
  124   2HG   GLU  17          2HG       GLU  17  -9.940  -8.036   2.373
  125    HE2  GLU  17           HE       GLU  17  -7.730  -7.429   5.547
  126    H    HIS  18           H        HIS  18  -7.722  -6.244  -1.288
  127    HA   HIS  18           HA       HIS  18  -7.095  -3.526  -1.799
  128   1HB   HIS  18          1HB       HIS  18  -5.486  -5.187  -1.940
  129   2HB   HIS  18          2HB       HIS  18  -6.328  -5.975  -3.226
  130    HD1  HIS  18           1HD      HIS  18  -6.034  -5.395  -5.601
  131    HD2  HIS  18           2HD      HIS  18  -3.943  -3.101  -2.735
  132    HE1  HIS  18           1HE      HIS  18  -4.710  -3.392  -6.776
  133    H    PHE  19           H        PHE  19  -8.870  -5.805  -3.888
  134    HA   PHE  19           HA       PHE  19  -9.110  -3.949  -5.945
  135   1HB   PHE  19          1HB       PHE  19  -9.023  -6.666  -6.011
  136   2HB   PHE  19          2HB       PHE  19 -10.722  -6.450  -5.884
  137    HD1  PHE  19           1HD      PHE  19 -12.213  -5.301  -7.840
  138    HD2  PHE  19           2HD      PHE  19  -7.867  -5.529  -8.043
  139    HE1  PHE  19           1HE      PHE  19 -12.198  -4.615 -10.116
  140    HE2  PHE  19           2HE      PHE  19  -8.023  -5.109 -10.359
  141    HZ   PHE  19           HZ       PHE  19 -10.122  -4.473 -11.464
  142    H    GLU  20           H        GLU  20 -11.610  -5.649  -3.936
  143    HA   GLU  20           HA       GLU  20 -13.974  -4.213  -4.734
  144   1HB   GLU  20          1HB       GLU  20 -13.641  -5.570  -2.072
  145   2HB   GLU  20          2HB       GLU  20 -15.175  -4.849  -2.664
  146   1HG   GLU  20          1HG       GLU  20 -13.618  -7.362  -3.657
  147   2HG   GLU  20          2HG       GLU  20 -15.264  -7.188  -3.020
  148    HE2  GLU  20           HE       GLU  20 -14.994  -7.254  -6.920
  149    H    LYS  21           H        LYS  21 -11.619  -3.479  -2.119
  150    HA   LYS  21           HA       LYS  21 -13.029  -1.103  -1.106
  151   1HB   LYS  21          1HB       LYS  21  -9.980  -1.723  -0.781
  152   2HB   LYS  21          2HB       LYS  21 -10.715  -0.265  -0.146
  153   1HG   LYS  21          1HG       LYS  21 -11.678  -3.110   0.551
  154   2HG   LYS  21          2HG       LYS  21 -10.360  -2.264   1.394
  155   1HD   LYS  21          1HD       LYS  21 -12.046  -0.487   2.079
  156   2HD   LYS  21          2HD       LYS  21 -13.360  -1.484   1.450
  157   1HE   LYS  21          1HE       LYS  21 -13.318  -2.392   3.487
  158   2HE   LYS  21          2HE       LYS  21 -12.099  -3.466   2.818
  159   1HZ   LYS  21          1HZ       LYS  21 -11.907  -1.350   4.889
  160   2HZ   LYS  21          2HZ       LYS  21 -11.414  -2.852   4.846
  161    H    GLY  22           H        GLY  22 -10.297  -1.356  -3.358
  162   1HA   GLY  22          1HA       GLY  22  -9.738   1.391  -3.986
  163   2HA   GLY  22          2HA       GLY  22  -9.356  -0.031  -4.930
  164    H    LYS  23           H        LYS  23 -10.828  -0.837  -6.385
  165    HA   LYS  23           HA       LYS  23 -12.674   1.091  -7.779
  166   1HB   LYS  23          1HB       LYS  23 -11.112  -0.075  -9.199
  167   2HB   LYS  23          2HB       LYS  23 -11.707  -1.582  -8.595
  168   1HG   LYS  23          1HG       LYS  23 -14.136  -0.907  -9.302
  169   2HG   LYS  23          2HG       LYS  23 -13.360   0.235 -10.324
  170   1HD   LYS  23          1HD       LYS  23 -12.818  -2.750 -10.237
  171   2HD   LYS  23          2HD       LYS  23 -13.965  -1.894 -11.386
  172   1HE   LYS  23          1HE       LYS  23 -10.934  -1.193 -11.327
  173   2HE   LYS  23          2HE       LYS  23 -11.717  -2.586 -12.258
  174   1HZ   LYS  23          1HZ       LYS  23 -12.195   0.461 -12.523
  175   2HZ   LYS  23          2HZ       LYS  23 -11.911  -0.691 -13.753
  176    H    GLY  24           H        GLY  24 -14.012   1.164  -6.535
  177   1HA   GLY  24          1HA       GLY  24 -16.444  -0.002  -6.804
  178   2HA   GLY  24          2HA       GLY  24 -15.972  -1.065  -5.454
  179    H    SER  25           H        SER  25 -14.608   1.032  -4.055
  180    HA   SER  25           HA       SER  25 -16.794   2.181  -2.517
  181   1HB   SER  25          1HB       SER  25 -14.154   1.353  -1.192
  182   2HB   SER  25          2HB       SER  25 -15.412   2.132  -0.395
  183    HG   SER  25           HG       SER  25 -15.351  -0.366  -1.627
  184    H    GLN  26           H        GLN  26 -16.796   4.316  -2.639
  185    HA   GLN  26           HA       GLN  26 -14.922   6.122  -4.035
  186   1HB   GLN  26          1HB       GLN  26 -17.076   6.570  -1.885
  187   2HB   GLN  26          2HB       GLN  26 -16.213   7.943  -2.464
  188   1HG   GLN  26          1HG       GLN  26 -18.287   7.674  -3.621
  189   2HG   GLN  26          2HG       GLN  26 -16.890   7.548  -4.794
  190   1HE2  GLN  26          1HE2      GLN  26 -17.873   6.221  -6.540
  191   2HE2  GLN  26          2HE2      GLN  26 -19.337   5.150  -6.248
  192    H    LYS  27           H        LYS  27 -13.003   5.295  -2.949
  193    HA   LYS  27           HA       LYS  27 -11.803   7.238  -1.046
  194   1HB   LYS  27          1HB       LYS  27 -11.039   5.527   0.604
  195   2HB   LYS  27          2HB       LYS  27 -12.730   5.557   0.623
  196   1HG   LYS  27          1HG       LYS  27 -12.907   3.489  -0.710
  197   2HG   LYS  27          2HG       LYS  27 -11.139   3.352  -0.917
  198   1HD   LYS  27          1HD       LYS  27 -11.484   1.865   0.804
  199   2HD   LYS  27          2HD       LYS  27 -10.691   3.223   1.459
  200   1HE   LYS  27          1HE       LYS  27 -12.837   3.967   2.595
  201   2HE   LYS  27          2HE       LYS  27 -13.643   2.497   1.912
  202   1HZ   LYS  27          1HZ       LYS  27 -11.242   1.854   3.280
  203   2HZ   LYS  27          2HZ       LYS  27 -11.751   2.974   4.163
  204    H    LEU  28           H        LEU  28  -9.587   6.491  -0.446
  205    HA   LEU  28           HA       LEU  28  -7.991   5.532  -2.793
  206   1HB   LEU  28          1HB       LEU  28  -7.465   7.948  -1.949
  207   2HB   LEU  28          2HB       LEU  28  -6.984   7.239  -0.412
  208    HG   LEU  28           HG       LEU  28  -5.103   5.871  -1.434
  209   1HD1  LEU  28          1HD1      LEU  28  -5.972   5.712  -4.014
  210   2HD1  LEU  28          2HD1      LEU  28  -5.635   7.392  -4.039
  211   3HD1  LEU  28          3HD1      LEU  28  -4.437   6.163  -3.818
  212   1HD2  LEU  28          1HD2      LEU  28  -4.760   8.754  -2.247
  213   2HD2  LEU  28          2HD2      LEU  28  -4.894   8.392  -0.564
  214   3HD2  LEU  28          3HD2      LEU  28  -3.618   7.621  -1.618
  215    H    ILE  29           H        ILE  29  -6.481   4.049  -2.384
  216    HA   ILE  29           HA       ILE  29  -6.034   2.572   0.149
  217    HB   ILE  29           HB       ILE  29  -6.461   0.417  -0.527
  218   1HG1  ILE  29          1HG1      ILE  29  -7.013   0.948  -3.403
  219   2HG1  ILE  29          2HG1      ILE  29  -5.407   0.563  -2.815
  220   1HG2  ILE  29          1HG2      ILE  29  -8.754   0.252  -0.732
  221   2HG2  ILE  29          2HG2      ILE  29  -8.601   1.832  -0.117
  222   3HG2  ILE  29          3HG2      ILE  29  -8.884   1.612  -1.772
  223   1HD1  ILE  29          1HD1      ILE  29  -5.912  -1.617  -2.008
  224   2HD1  ILE  29          2HD1      ILE  29  -7.706  -1.259  -2.027
  225   3HD1  ILE  29          3HD1      ILE  29  -6.584  -1.456  -3.604
  226    H    VAL  30           H        VAL  30  -4.062   1.587   0.301
  227    HA   VAL  30           HA       VAL  30  -1.922   2.258  -1.622
  228    HB   VAL  30           HB       VAL  30  -1.842   3.145   1.193
  229   1HG1  VAL  30          1HG1      VAL  30   0.599   2.774   0.469
  230   2HG1  VAL  30          2HG1      VAL  30   0.081   3.738  -1.004
  231   3HG1  VAL  30          3HG1      VAL  30   0.280   4.571   0.477
  232   1HG2  VAL  30          1HG2      VAL  30  -1.964   5.566   0.616
  233   2HG2  VAL  30          2HG2      VAL  30  -2.148   5.113  -1.166
  234   3HG2  VAL  30          3HG2      VAL  30  -3.424   4.871   0.069
  235    H    VAL  31           H        VAL  31  -0.341   0.906  -1.587
  236    HA   VAL  31           HA       VAL  31  -0.217  -1.266   0.437
  237    HB   VAL  31           HB       VAL  31  -2.140  -1.731  -1.045
  238   1HG1  VAL  31          1HG1      VAL  31  -0.337  -1.014  -3.310
  239   2HG1  VAL  31          2HG1      VAL  31  -1.499  -2.290  -3.642
  240   3HG1  VAL  31          3HG1      VAL  31  -2.128  -0.710  -2.967
  241   1HG2  VAL  31          1HG2      VAL  31  -1.700  -3.974  -1.624
  242   2HG2  VAL  31          2HG2      VAL  31   0.029  -3.779  -2.009
  243   3HG2  VAL  31          3HG2      VAL  31  -0.533  -3.741  -0.280
  244    H    ASP  32           H        ASP  32   1.594  -1.556   0.956
  245    HA   ASP  32           HA       ASP  32   4.077  -1.351  -0.689
  246   1HB   ASP  32          1HB       ASP  32   4.086  -0.840   1.866
  247   2HB   ASP  32          2HB       ASP  32   4.120  -2.640   2.049
  248    HD2  ASP  32           HD       ASP  32   7.274  -1.746  -0.177
  249    H    PHE  33           H        PHE  33   4.960  -2.997  -1.792
  250    HA   PHE  33           HA       PHE  33   4.267  -5.932  -1.518
  251   1HB   PHE  33          1HB       PHE  33   4.876  -4.187  -3.921
  252   2HB   PHE  33          2HB       PHE  33   4.898  -5.968  -3.961
  253    HD1  PHE  33           1HD      PHE  33   2.818  -7.407  -3.528
  254    HD2  PHE  33           2HD      PHE  33   2.668  -3.119  -4.208
  255    HE1  PHE  33           1HE      PHE  33   0.409  -7.521  -3.789
  256    HE2  PHE  33           2HE      PHE  33   0.266  -3.330  -4.535
  257    HZ   PHE  33           HZ       PHE  33  -0.869  -5.460  -4.326
  258    H    THR  34           H        THR  34   5.988  -6.707  -0.393
  259    HA   THR  34           HA       THR  34   8.690  -5.659  -0.544
  260    HB   THR  34           HB       THR  34   7.712  -3.982   1.002
  261    HG1  THR  34           1HG      THR  34   9.289  -4.358   2.724
  262   1HG2  THR  34          1HG2      THR  34   6.894  -6.215   2.921
  263   2HG2  THR  34          2HG2      THR  34   6.886  -4.405   3.301
  264   3HG2  THR  34          3HG2      THR  34   5.790  -4.962   2.105
  265    H    ALA  35           H        ALA  35   9.892  -7.136   0.273
  266    HA   ALA  35           HA       ALA  35   9.073  -9.986   0.837
  267   1HB   ALA  35          1HB       ALA  35  11.348 -10.412   0.495
  268   2HB   ALA  35          2HB       ALA  35  10.891  -9.121  -0.639
  269   3HB   ALA  35          3HB       ALA  35  11.780  -8.619   0.775
  270    H    SER  36           H        SER  36   9.215 -10.958   3.025
  271    HA   SER  36           HA       SER  36  10.060  -9.693   5.377
  272   1HB   SER  36          1HB       SER  36   8.969 -12.036   5.171
  273   2HB   SER  36          2HB       SER  36  10.466 -12.559   4.521
  274    HG   SER  36           HG       SER  36   9.807 -12.317   7.101
  275    H    TRP  37           H        TRP  37  12.268 -11.406   3.196
  276    HA   TRP  37           HA       TRP  37  14.605 -10.219   4.413
  277   1HB   TRP  37          1HB       TRP  37  15.749 -10.535   2.163
  278   2HB   TRP  37          2HB       TRP  37  15.191 -11.972   2.895
  279    HD1  TRP  37           HD       TRP  37  13.082 -13.138   2.025
  280    HE1  TRP  37           1HE      TRP  37  12.123 -13.711  -0.358
  281    HE3  TRP  37           3HE      TRP  37  15.168  -9.238  -0.208
  282    HZ2  TRP  37           2HZ      TRP  37  12.148 -12.335  -2.786
  283    HZ3  TRP  37           3HZ      TRP  37  14.603  -8.802  -2.537
  284    HH2  TRP  37           HH       TRP  37  13.184 -10.271  -3.854
  285    H    CYS  38           H        CYS  38  13.884  -8.165   4.905
  286    HA   CYS  38           HA       CYS  38  14.964  -5.945   3.304
  287   1HB   CYS  38          1HB       CYS  38  12.809  -6.054   2.078
  288   2HB   CYS  38          2HB       CYS  38  11.935  -5.730   3.658
  289    HG   CYS  38           HG       CYS  38  13.589  -4.272   1.420
  290    HA   PRO  39           HA       PRO  39  14.892  -4.409   7.909
  291   1HB   PRO  39          1HB       PRO  39  17.383  -3.099   7.239
  292   2HB   PRO  39          2HB       PRO  39  16.974  -4.446   8.510
  293   1HG   PRO  39          1HG       PRO  39  18.593  -4.787   6.089
  294   2HG   PRO  39          2HG       PRO  39  17.871  -6.067   7.142
  295   1HD   PRO  39          1HD       PRO  39  16.855  -4.932   4.521
  296   2HD   PRO  39          2HD       PRO  39  16.618  -6.536   5.147
  297    HA   PRO  40           HA       PRO  40  14.982   0.144   5.877
  298   1HB   PRO  40          1HB       PRO  40  14.428  -0.708   2.928
  299   2HB   PRO  40          2HB       PRO  40  15.140   0.735   3.557
  300   1HG   PRO  40          1HG       PRO  40  16.621  -1.334   2.521
  301   2HG   PRO  40          2HG       PRO  40  17.355  -0.325   3.873
  302   1HD   PRO  40          1HD       PRO  40  16.097  -3.087   3.930
  303   2HD   PRO  40          2HD       PRO  40  17.344  -2.313   5.071
  304    H    CYS  41           H        CYS  41  12.892  -2.291   4.438
  305    HA   CYS  41           HA       CYS  41  10.453  -0.748   5.045
  306   1HB   CYS  41          1HB       CYS  41  10.505  -3.280   3.383
  307   2HB   CYS  41          2HB       CYS  41   8.998  -2.682   4.077
  308    HG   CYS  41           HG       CYS  41   8.869  -0.986   2.187
  309    H    LYS  42           H        LYS  42  12.228  -3.235   6.716
  310    HA   LYS  42           HA       LYS  42  10.206  -3.799   8.603
  311   1HB   LYS  42          1HB       LYS  42  12.549  -4.917   8.478
  312   2HB   LYS  42          2HB       LYS  42  13.274  -3.493   9.196
  313   1HG   LYS  42          1HG       LYS  42  11.822  -3.732  11.215
  314   2HG   LYS  42          2HG       LYS  42  11.118  -5.237  10.501
  315   1HD   LYS  42          1HD       LYS  42  13.388  -6.296  10.261
  316   2HD   LYS  42          2HD       LYS  42  14.099  -4.940  11.165
  317   1HE   LYS  42          1HE       LYS  42  13.849  -6.883  12.609
  318   2HE   LYS  42          2HE       LYS  42  12.886  -5.509  13.252
  319   1HZ   LYS  42          1HZ       LYS  42  11.787  -7.981  12.344
  320   2HZ   LYS  42          2HZ       LYS  42  11.251  -6.871  13.456
  321    H    MET  43           H        MET  43  12.234  -1.010   8.486
  322    HA   MET  43           HA       MET  43  10.950   0.490  10.773
  323   1HB   MET  43          1HB       MET  43  12.427   2.440  10.208
  324   2HB   MET  43          2HB       MET  43  13.262   1.036  10.711
  325   1HG   MET  43          1HG       MET  43  13.799   0.551   8.112
  326   2HG   MET  43          2HG       MET  43  12.926   2.047   7.833
  327   1HE   MET  43          1HE       MET  43  15.098   2.293   6.317
  328   2HE   MET  43          2HE       MET  43  16.472   3.180   6.841
  329   3HE   MET  43          3HE       MET  43  16.484   1.497   7.134
  330    H    ILE  44           H        ILE  44  10.763   0.517   7.331
  331    HA   ILE  44           HA       ILE  44   8.712   2.464   7.450
  332    HB   ILE  44           HB       ILE  44  10.130   1.359   5.185
  333   1HG1  ILE  44          1HG1      ILE  44   8.924   3.097   3.988
  334   2HG1  ILE  44          2HG1      ILE  44   7.832   3.326   5.375
  335   1HG2  ILE  44          1HG2      ILE  44   7.104   0.727   4.833
  336   2HG2  ILE  44          2HG2      ILE  44   8.426   0.770   3.509
  337   3HG2  ILE  44          3HG2      ILE  44   8.435  -0.442   4.875
  338   1HD1  ILE  44          1HD1      ILE  44   9.933   4.121   6.653
  339   2HD1  ILE  44          2HD1      ILE  44  10.970   3.788   5.142
  340   3HD1  ILE  44          3HD1      ILE  44   9.670   4.897   5.100
  341    H    ALA  45           H        ALA  45   8.272  -0.926   8.055
  342    HA   ALA  45           HA       ALA  45   5.376  -0.965   8.093
  343   1HB   ALA  45          1HB       ALA  45   7.236  -2.548  10.096
  344   2HB   ALA  45          2HB       ALA  45   5.465  -2.574   9.944
  345   3HB   ALA  45          3HB       ALA  45   6.492  -3.115   8.560
  346    HA   PRO  46           HA       PRO  46   4.927   1.611  12.227
  347   1HB   PRO  46          1HB       PRO  46   7.821   2.248  12.810
  348   2HB   PRO  46          2HB       PRO  46   6.450   2.171  13.787
  349   1HG   PRO  46          1HG       PRO  46   8.276   0.076  13.571
  350   2HG   PRO  46          2HG       PRO  46   6.540  -0.348  13.802
  351   1HD   PRO  46          1HD       PRO  46   8.314  -0.215  11.307
  352   2HD   PRO  46          2HD       PRO  46   7.119  -1.417  11.812
  353    H    ILE  47           H        ILE  47   7.303   2.921   9.941
  354    HA   ILE  47           HA       ILE  47   6.063   5.617  10.060
  355    HB   ILE  47           HB       ILE  47   7.465   4.423   7.821
  356   1HG1  ILE  47          1HG1      ILE  47   9.068   4.468   9.549
  357   2HG1  ILE  47          2HG1      ILE  47   9.502   5.763   8.402
  358   1HG2  ILE  47          1HG2      ILE  47   6.380   6.380   6.887
  359   2HG2  ILE  47          2HG2      ILE  47   7.077   7.499   8.098
  360   3HG2  ILE  47          3HG2      ILE  47   8.040   6.635   6.884
  361   1HD1  ILE  47          1HD1      ILE  47   9.656   6.785  10.493
  362   2HD1  ILE  47          2HD1      ILE  47   8.198   7.420   9.763
  363   3HD1  ILE  47          3HD1      ILE  47   8.223   6.227  11.171
  364    H    PHE  48           H        PHE  48   5.427   3.256   7.796
  365    HA   PHE  48           HA       PHE  48   3.012   4.235   6.426
  366   1HB   PHE  48          1HB       PHE  48   4.566   2.615   5.769
  367   2HB   PHE  48          2HB       PHE  48   4.119   1.513   7.102
  368    HD1  PHE  48           1HD      PHE  48   2.002   0.264   6.929
  369    HD2  PHE  48           2HD      PHE  48   3.283   2.574   3.542
  370    HE1  PHE  48           1HE      PHE  48   0.539  -1.041   5.388
  371    HE2  PHE  48           2HE      PHE  48   1.734   1.601   2.202
  372    HZ   PHE  48           HZ       PHE  48   0.422  -0.428   2.946
  373    H    ALA  49           H        ALA  49   3.160   2.367   9.491
  374    HA   ALA  49           HA       ALA  49   0.468   2.554  10.261
  375   1HB   ALA  49          1HB       ALA  49   1.332   0.922  11.178
  376   2HB   ALA  49          2HB       ALA  49   2.900   1.715  11.608
  377   3HB   ALA  49          3HB       ALA  49   1.380   1.972  12.514
  378    H    GLU  50           H        GLU  50   2.960   5.097  11.105
  379    HA   GLU  50           HA       GLU  50   1.372   6.524  13.038
  380   1HB   GLU  50          1HB       GLU  50   3.745   6.368  13.293
  381   2HB   GLU  50          2HB       GLU  50   3.999   7.072  11.715
  382   1HG   GLU  50          1HG       GLU  50   2.618   8.665  14.017
  383   2HG   GLU  50          2HG       GLU  50   4.311   8.599  13.937
  384    HE2  GLU  50           HE       GLU  50   2.578  11.367  11.944
  385    H    LEU  51           H        LEU  51   2.469   6.991   9.763
  386    HA   LEU  51           HA       LEU  51   0.934   9.276   9.003
  387   1HB   LEU  51          1HB       LEU  51   2.891   8.634   7.870
  388   2HB   LEU  51          2HB       LEU  51   2.519   7.008   7.608
  389    HG   LEU  51           HG       LEU  51   2.706   8.573   5.590
  390   1HD1  LEU  51          1HD1      LEU  51   0.233   6.850   5.688
  391   2HD1  LEU  51          2HD1      LEU  51   1.120   7.384   4.253
  392   3HD1  LEU  51          3HD1      LEU  51   1.873   6.180   5.323
  393   1HD2  LEU  51          1HD2      LEU  51   1.564  10.493   6.286
  394   2HD2  LEU  51          2HD2      LEU  51   0.710   9.791   4.853
  395   3HD2  LEU  51          3HD2      LEU  51   0.076   9.628   6.611
  396    H    ALA  52           H        ALA  52   0.000   5.941   9.107
  397    HA   ALA  52           HA       ALA  52  -2.631   6.091   7.749
  398   1HB   ALA  52          1HB       ALA  52  -1.514   3.866   7.951
  399   2HB   ALA  52          2HB       ALA  52  -1.734   3.876   9.680
  400   3HB   ALA  52          3HB       ALA  52  -3.145   3.796   8.783
  401    H    LYS  53           H        LYS  53  -1.491   6.483  10.986
  402    HA   LYS  53           HA       LYS  53  -4.101   7.075  12.399
  403   1HB   LYS  53          1HB       LYS  53  -1.123   7.522  13.365
  404   2HB   LYS  53          2HB       LYS  53  -2.568   7.849  14.338
  405   1HG   LYS  53          1HG       LYS  53  -3.433   5.530  13.932
  406   2HG   LYS  53          2HG       LYS  53  -2.088   5.034  13.000
  407   1HD   LYS  53          1HD       LYS  53  -2.050   5.826  16.051
  408   2HD   LYS  53          2HD       LYS  53  -1.926   4.201  15.301
  409   1HE   LYS  53          1HE       LYS  53   0.242   4.599  14.377
  410   2HE   LYS  53          2HE       LYS  53   0.301   6.353  14.753
  411   1HZ   LYS  53          1HZ       LYS  53   0.231   5.475  17.121
  412   2HZ   LYS  53          2HZ       LYS  53   0.601   3.958  16.432
  413    H    LYS  54           H        LYS  54  -1.874   8.934  10.645
  414    HA   LYS  54           HA       LYS  54  -2.687  11.563  11.602
  415   1HB   LYS  54          1HB       LYS  54  -0.298  10.724  10.924
  416   2HB   LYS  54          2HB       LYS  54  -0.869  10.829   9.207
  417   1HG   LYS  54          1HG       LYS  54  -1.756  13.341  10.211
  418   2HG   LYS  54          2HG       LYS  54  -0.583  12.950  11.392
  419   1HD   LYS  54          1HD       LYS  54   0.078  13.101   8.396
  420   2HD   LYS  54          2HD       LYS  54   0.355  14.449   9.558
  421   1HE   LYS  54          1HE       LYS  54   2.024  13.020  10.730
  422   2HE   LYS  54          2HE       LYS  54   1.476  11.667   9.638
  423   1HZ   LYS  54          1HZ       LYS  54   2.591  14.187   8.680
  424   2HZ   LYS  54          2HZ       LYS  54   3.535  12.798   8.698
  425    H    PHE  55           H        PHE  55  -3.530   9.347   8.905
  426    HA   PHE  55           HA       PHE  55  -5.216  11.358   7.434
  427   1HB   PHE  55          1HB       PHE  55  -2.815   9.675   6.630
  428   2HB   PHE  55          2HB       PHE  55  -4.148   9.528   5.595
  429    HD1  PHE  55           1HD      PHE  55  -4.911  11.384   4.185
  430    HD2  PHE  55           2HD      PHE  55  -1.646  11.646   6.876
  431    HE1  PHE  55           1HE      PHE  55  -4.155  13.644   3.015
  432    HE2  PHE  55           2HE      PHE  55  -0.975  13.913   5.911
  433    HZ   PHE  55           HZ       PHE  55  -2.360  14.832   3.964
  434    HA   PRO  56           HA       PRO  56  -8.417   8.193   8.207
  435   1HB   PRO  56          1HB       PRO  56 -10.573   9.700   8.029
  436   2HB   PRO  56          2HB       PRO  56  -9.391   9.928   9.391
  437   1HG   PRO  56          1HG       PRO  56  -9.449  11.591   6.708
  438   2HG   PRO  56          2HG       PRO  56  -9.177  12.151   8.524
  439   1HD   PRO  56          1HD       PRO  56  -7.219  11.622   6.677
  440   2HD   PRO  56          2HD       PRO  56  -6.938  11.750   8.446
  441    H    ASN  57           H        ASN  57  -8.291   9.452   4.973
  442    HA   ASN  57           HA       ASN  57 -10.817   8.525   3.797
  443   1HB   ASN  57          1HB       ASN  57 -10.456   9.798   1.905
  444   2HB   ASN  57          2HB       ASN  57 -10.207  10.817   3.296
  445   1HD2  ASN  57          1HD2      ASN  57  -7.790  11.476   3.950
  446   2HD2  ASN  57          2HD2      ASN  57  -6.641  11.273   2.641
  447    H    VAL  58           H        VAL  58  -8.177   7.293   4.591
  448    HA   VAL  58           HA       VAL  58  -7.645   5.663   2.125
  449    HB   VAL  58           HB       VAL  58  -6.443   7.710   2.205
  450   1HG1  VAL  58          1HG1      VAL  58  -5.402   6.882   4.863
  451   2HG1  VAL  58          2HG1      VAL  58  -4.443   8.038   4.010
  452   3HG1  VAL  58          3HG1      VAL  58  -6.091   8.466   4.482
  453   1HG2  VAL  58          1HG2      VAL  58  -4.324   7.164   1.752
  454   2HG2  VAL  58          2HG2      VAL  58  -4.381   5.575   2.537
  455   3HG2  VAL  58          3HG2      VAL  58  -5.339   5.796   1.119
  456    H    THR  59           H        THR  59  -8.020   3.635   2.590
  457    HA   THR  59           HA       THR  59  -7.166   1.890   4.898
  458    HB   THR  59           HB       THR  59  -7.789   1.380   1.972
  459    HG1  THR  59           1HG      THR  59  -9.853   0.601   3.134
  460   1HG2  THR  59          1HG2      THR  59  -8.553  -0.803   2.794
  461   2HG2  THR  59          2HG2      THR  59  -6.761  -0.593   2.953
  462   3HG2  THR  59          3HG2      THR  59  -8.087  -0.558   4.434
  463    H    PHE  60           H        PHE  60  -5.503   0.614   4.920
  464    HA   PHE  60           HA       PHE  60  -3.070   0.897   3.119
  465   1HB   PHE  60          1HB       PHE  60  -3.052   1.346   6.241
  466   2HB   PHE  60          2HB       PHE  60  -1.747   0.956   5.306
  467    HD1  PHE  60           1HD      PHE  60  -0.833   2.594   3.706
  468    HD2  PHE  60           2HD      PHE  60  -4.154   3.617   6.027
  469    HE1  PHE  60           1HE      PHE  60  -0.433   5.054   3.234
  470    HE2  PHE  60           2HE      PHE  60  -3.731   6.008   5.657
  471    HZ   PHE  60           HZ       PHE  60  -2.019   6.793   4.295
  472    H    LEU  61           H        LEU  61  -2.345  -1.035   2.591
  473    HA   LEU  61           HA       LEU  61  -2.436  -3.232   4.526
  474   1HB   LEU  61          1HB       LEU  61  -3.743  -4.428   3.287
  475   2HB   LEU  61          2HB       LEU  61  -4.355  -2.977   2.866
  476    HG   LEU  61           HG       LEU  61  -2.842  -3.083   0.755
  477   1HD1  LEU  61          1HD1      LEU  61  -3.271  -6.118   1.223
  478   2HD1  LEU  61          2HD1      LEU  61  -2.915  -5.470  -0.360
  479   3HD1  LEU  61          3HD1      LEU  61  -1.742  -5.277   0.876
  480   1HD2  LEU  61          1HD2      LEU  61  -5.419  -2.877   0.889
  481   2HD2  LEU  61          2HD2      LEU  61  -4.772  -4.008  -0.432
  482   3HD2  LEU  61          3HD2      LEU  61  -5.405  -4.671   1.096
  483    H    LYS  62           H        LYS  62  -1.053  -5.011   3.916
  484    HA   LYS  62           HA       LYS  62   1.493  -4.331   2.442
  485   1HB   LYS  62          1HB       LYS  62   3.111  -4.436   4.331
  486   2HB   LYS  62          2HB       LYS  62   2.004  -3.194   4.290
  487   1HG   LYS  62          1HG       LYS  62   0.629  -4.110   6.192
  488   2HG   LYS  62          2HG       LYS  62   1.143  -5.769   5.868
  489   1HD   LYS  62          1HD       LYS  62   3.387  -5.134   6.633
  490   2HD   LYS  62          2HD       LYS  62   2.855  -3.651   6.930
  491   1HE   LYS  62          1HE       LYS  62   1.207  -4.717   8.670
  492   2HE   LYS  62          2HE       LYS  62   1.722  -6.289   8.271
  493   1HZ   LYS  62          1HZ       LYS  62   3.798  -4.498   9.257
  494   2HZ   LYS  62          2HZ       LYS  62   3.665  -6.197   9.195
  495    H    VAL  63           H        VAL  63   1.630  -5.775   1.331
  496    HA   VAL  63           HA       VAL  63   1.120  -8.693   1.576
  497    HB   VAL  63           HB       VAL  63   1.771  -6.936  -0.821
  498   1HG1  VAL  63          1HG1      VAL  63   1.424  -9.145  -2.164
  499   2HG1  VAL  63          2HG1      VAL  63   2.942  -9.104  -1.313
  500   3HG1  VAL  63          3HG1      VAL  63   1.582 -10.060  -0.679
  501   1HG2  VAL  63          1HG2      VAL  63  -0.719  -7.190   0.244
  502   2HG2  VAL  63          2HG2      VAL  63  -0.553  -7.377  -1.482
  503   3HG2  VAL  63          3HG2      VAL  63  -0.591  -8.850  -0.423
  504    H    ASP  64           H        ASP  64   2.517  -9.866   2.671
  505    HA   ASP  64           HA       ASP  64   5.495 -10.077   2.153
  506   1HB   ASP  64          1HB       ASP  64   4.111 -11.481   3.891
  507   2HB   ASP  64          2HB       ASP  64   3.792 -12.491   2.618
  508    HD2  ASP  64           HD       ASP  64   7.301 -13.223   1.898
  509    H    VAL  65           H        VAL  65   5.862  -9.645   0.051
  510    HA   VAL  65           HA       VAL  65   4.691 -10.640  -2.252
  511    HB   VAL  65           HB       VAL  65   6.397  -8.883  -1.999
  512   1HG1  VAL  65          1HG1      VAL  65   8.827  -9.286  -2.544
  513   2HG1  VAL  65          2HG1      VAL  65   8.408 -10.275  -1.169
  514   3HG1  VAL  65          3HG1      VAL  65   8.448 -11.044  -2.826
  515   1HG2  VAL  65          1HG2      VAL  65   6.357 -10.442  -4.675
  516   2HG2  VAL  65          2HG2      VAL  65   5.376  -9.101  -4.140
  517   3HG2  VAL  65          3HG2      VAL  65   7.050  -8.946  -4.458
  518    H    ASP  66           H        ASP  66   7.390 -12.503  -0.548
  519    HA   ASP  66           HA       ASP  66   7.604 -14.697  -2.333
  520   1HB   ASP  66          1HB       ASP  66   7.530 -15.131   0.800
  521   2HB   ASP  66          2HB       ASP  66   8.205 -16.187  -0.322
  522    HD2  ASP  66           HD       ASP  66  10.553 -13.179   0.777
  523    H    GLU  67           H        GLU  67   5.024 -14.320   0.012
  524    HA   GLU  67           HA       GLU  67   3.402 -16.546  -0.878
  525   1HB   GLU  67          1HB       GLU  67   2.386 -13.831   0.421
  526   2HB   GLU  67          2HB       GLU  67   1.472 -15.237   0.341
  527   1HG   GLU  67          1HG       GLU  67   3.872 -14.691   2.080
  528   2HG   GLU  67          2HG       GLU  67   2.282 -14.886   2.530
  529    HE2  GLU  67           HE       GLU  67   4.415 -18.064   2.563
  530    H    LEU  68           H        LEU  68   3.605 -13.439  -2.399
  531    HA   LEU  68           HA       LEU  68   1.532 -13.953  -4.363
  532   1HB   LEU  68          1HB       LEU  68   1.351 -11.792  -2.235
  533   2HB   LEU  68          2HB       LEU  68   0.344 -11.593  -3.701
  534    HG   LEU  68           HG       LEU  68   0.124 -13.812  -1.531
  535   1HD1  LEU  68          1HD1      LEU  68  -1.920 -12.315  -0.892
  536   2HD1  LEU  68          2HD1      LEU  68  -0.338 -11.437  -0.841
  537   3HD1  LEU  68          3HD1      LEU  68  -1.421 -11.167  -2.149
  538   1HD2  LEU  68          1HD2      LEU  68  -0.791 -14.492  -3.916
  539   2HD2  LEU  68          2HD2      LEU  68  -2.139 -14.187  -2.673
  540   3HD2  LEU  68          3HD2      LEU  68  -1.712 -13.001  -4.071
  541    H    LYS  69           H        LYS  69   3.693 -13.982  -5.067
  542    HA   LYS  69           HA       LYS  69   5.118 -11.507  -6.091
  543   1HB   LYS  69          1HB       LYS  69   6.441 -13.363  -7.341
  544   2HB   LYS  69          2HB       LYS  69   6.599 -13.410  -5.511
  545   1HG   LYS  69          1HG       LYS  69   5.259 -15.262  -5.183
  546   2HG   LYS  69          2HG       LYS  69   4.773 -15.252  -6.790
  547   1HD   LYS  69          1HD       LYS  69   6.792 -15.861  -7.847
  548   2HD   LYS  69          2HD       LYS  69   7.711 -15.358  -6.364
  549   1HE   LYS  69          1HE       LYS  69   6.965 -17.241  -5.104
  550   2HE   LYS  69          2HE       LYS  69   5.990 -17.831  -6.532
  551   1HZ   LYS  69          1HZ       LYS  69   8.616 -18.322  -5.961
  552   2HZ   LYS  69          2HZ       LYS  69   7.675 -19.010  -6.913
  553    H    ALA  70           H        ALA  70   3.107 -14.239  -7.507
  554    HA   ALA  70           HA       ALA  70   3.139 -13.360 -10.275
  555   1HB   ALA  70          1HB       ALA  70   1.179 -14.632 -10.694
  556   2HB   ALA  70          2HB       ALA  70   2.135 -15.635  -9.561
  557   3HB   ALA  70          3HB       ALA  70   0.807 -14.590  -8.914
  558    H    VAL  71           H        VAL  71   0.240 -12.625  -8.187
  559    HA   VAL  71           HA       VAL  71  -0.491 -10.300  -9.600
  560    HB   VAL  71           HB       VAL  71  -1.940 -11.483  -8.109
  561   1HG1  VAL  71          1HG1      VAL  71  -1.791 -11.025  -5.616
  562   2HG1  VAL  71          2HG1      VAL  71  -0.292 -11.918  -6.304
  563   3HG1  VAL  71          3HG1      VAL  71  -0.308 -10.185  -5.913
  564   1HG2  VAL  71          1HG2      VAL  71  -3.096  -9.438  -7.059
  565   2HG2  VAL  71          2HG2      VAL  71  -1.529  -8.554  -6.997
  566   3HG2  VAL  71          3HG2      VAL  71  -2.369  -8.960  -8.642
  567    H    ALA  72           H        ALA  72   1.912 -10.011  -6.884
  568    HA   ALA  72           HA       ALA  72   2.248  -7.243  -6.849
  569   1HB   ALA  72          1HB       ALA  72   4.275  -7.553  -5.775
  570   2HB   ALA  72          2HB       ALA  72   3.218  -8.807  -5.337
  571   3HB   ALA  72          3HB       ALA  72   4.548  -9.141  -6.457
  572    H    GLU  73           H        GLU  73   3.740  -9.591  -8.857
  573    HA   GLU  73           HA       GLU  73   5.280  -7.862 -10.744
  574   1HB   GLU  73          1HB       GLU  73   4.207 -10.721 -11.016
  575   2HB   GLU  73          2HB       GLU  73   4.997 -10.070 -12.368
  576   1HG   GLU  73          1HG       GLU  73   7.037  -9.520 -10.924
  577   2HG   GLU  73          2HG       GLU  73   6.240 -10.148  -9.485
  578    HE2  GLU  73           HE       GLU  73   6.419 -13.444 -10.505
  579    H    GLU  74           H        GLU  74   2.017  -9.032 -10.870
  580    HA   GLU  74           HA       GLU  74   1.368  -7.753 -13.387
  581   1HB   GLU  74          1HB       GLU  74  -0.536  -8.371 -13.785
  582   2HB   GLU  74          2HB       GLU  74  -0.012  -9.670 -12.832
  583   1HG   GLU  74          1HG       GLU  74  -1.002  -8.463 -10.841
  584   2HG   GLU  74          2HG       GLU  74  -1.921  -7.433 -11.971
  585    HE2  GLU  74           HE       GLU  74  -3.450  -8.195 -12.934
  586    H    TRP  75           H        TRP  75   0.582  -6.368 -10.323
  587    HA   TRP  75           HA       TRP  75  -0.566  -3.828 -11.216
  588   1HB   TRP  75          1HB       TRP  75   1.043  -3.865  -8.550
  589   2HB   TRP  75          2HB       TRP  75  -0.195  -2.779  -9.033
  590    HD1  TRP  75           HD       TRP  75   0.335  -5.544  -6.906
  591    HE1  TRP  75           1HE      TRP  75  -1.740  -7.008  -6.564
  592    HE3  TRP  75           3HE      TRP  75  -2.786  -3.426 -10.404
  593    HZ2  TRP  75           2HZ      TRP  75  -4.271  -7.209  -7.557
  594    HZ3  TRP  75           3HZ      TRP  75  -5.009  -4.309 -10.786
  595    HH2  TRP  75           HH       TRP  75  -5.756  -6.302  -9.326
  596    H    ASN  76           H        ASN  76   2.585  -4.779 -10.451
  597    HA   ASN  76           HA       ASN  76   4.257  -4.509 -12.206
  598   1HB   ASN  76          1HB       ASN  76   3.414  -2.368 -13.353
  599   2HB   ASN  76          2HB       ASN  76   4.018  -1.478 -12.048
  600   1HD2  ASN  76          1HD2      ASN  76   6.316  -1.286 -12.054
  601   2HD2  ASN  76          2HD2      ASN  76   7.236  -1.590 -13.706
  602    H    VAL  77           H        VAL  77   5.152  -5.664 -10.406
  603    HA   VAL  77           HA       VAL  77   7.258  -4.299  -8.952
  604    HB   VAL  77           HB       VAL  77   5.643  -6.543  -7.812
  605   1HG1  VAL  77          1HG1      VAL  77   7.268  -4.518  -6.135
  606   2HG1  VAL  77          2HG1      VAL  77   6.434  -6.053  -5.723
  607   3HG1  VAL  77          3HG1      VAL  77   7.868  -6.207  -6.907
  608   1HG2  VAL  77          1HG2      VAL  77   5.166  -3.808  -6.590
  609   2HG2  VAL  77          2HG2      VAL  77   4.030  -4.380  -7.820
  610   3HG2  VAL  77          3HG2      VAL  77   4.194  -5.405  -6.482
  611    H    GLU  78           H        GLU  78   8.372  -4.658 -10.668
  612    HA   GLU  78           HA       GLU  78   9.844  -7.203 -10.792
  613   1HB   GLU  78          1HB       GLU  78  11.716  -5.673 -11.925
  614   2HB   GLU  78          2HB       GLU  78  10.198  -6.229 -12.818
  615   1HG   GLU  78          1HG       GLU  78  10.890  -3.810 -13.319
  616   2HG   GLU  78          2HG       GLU  78   9.118  -4.021 -12.718
  617    HE2  GLU  78           HE       GLU  78  12.183  -2.736 -12.096
  618    H    ALA  79           H        ALA  79   9.786  -4.712  -8.482
  619    HA   ALA  79           HA       ALA  79  12.468  -5.542  -7.338
  620   1HB   ALA  79          1HB       ALA  79  13.351  -3.014  -7.307
  621   2HB   ALA  79          2HB       ALA  79  13.031  -3.686  -8.998
  622   3HB   ALA  79          3HB       ALA  79  12.034  -2.539  -8.303
  623    H    MET  80           H        MET  80  12.732  -5.384  -5.266
  624    HA   MET  80           HA       MET  80  10.589  -4.665  -3.356
  625   1HB   MET  80          1HB       MET  80  13.400  -5.799  -3.253
  626   2HB   MET  80          2HB       MET  80  12.743  -5.050  -1.933
  627   1HG   MET  80          1HG       MET  80  12.275  -7.738  -2.117
  628   2HG   MET  80          2HG       MET  80  10.940  -6.529  -1.740
  629   1HE   MET  80          1HE       MET  80   8.861  -5.947  -4.102
  630   2HE   MET  80          2HE       MET  80   8.296  -7.588  -3.649
  631   3HE   MET  80          3HE       MET  80   8.935  -6.482  -2.502
  632    HA   PRO  81           HA       PRO  81   9.709  -2.981  -3.386
  633   1HB   PRO  81          1HB       PRO  81   9.136  -2.484  -0.900
  634   2HB   PRO  81          2HB       PRO  81  10.556  -3.468  -1.211
  635   1HG   PRO  81          2HG       PRO  81  10.817  -0.646  -0.381
  636   2HG   PRO  81          1HG       PRO  81  11.676  -2.142   0.054
  637   1HD   PRO  81          1HD       PRO  81  11.888  -0.044  -2.272
  638   2HD   PRO  81          2HD       PRO  81  13.131  -1.087  -1.704
  639    H    THR  82           H        THR  82   7.870  -2.449  -3.386
  640    HA   THR  82           HA       THR  82   7.421   0.223  -4.469
  641    HB   THR  82           HB       THR  82   6.623  -2.563  -5.372
  642    HG1  THR  82           1HG      THR  82   8.582  -2.533  -5.756
  643   1HG2  THR  82          1HG2      THR  82   4.995  -0.778  -6.450
  644   2HG2  THR  82          2HG2      THR  82   6.671   0.161  -6.891
  645   3HG2  THR  82          3HG2      THR  82   6.317  -1.325  -7.654
  646    H    PHE  83           H        PHE  83   5.849   1.301  -3.946
  647    HA   PHE  83           HA       PHE  83   3.642   0.457  -2.180
  648   1HB   PHE  83          1HB       PHE  83   4.597   3.375  -2.820
  649   2HB   PHE  83          2HB       PHE  83   3.244   2.792  -1.744
  650    HD1  PHE  83           1HD      PHE  83   7.134   3.054  -1.885
  651    HD2  PHE  83           2HD      PHE  83   3.810   1.805   0.451
  652    HE1  PHE  83           1HE      PHE  83   8.509   3.120  -0.028
  653    HE2  PHE  83           2HE      PHE  83   5.313   1.907   2.439
  654    HZ   PHE  83           HZ       PHE  83   7.611   2.295   2.134
  655    H    ILE  84           H        ILE  84   2.061   0.056  -3.853
  656    HA   ILE  84           HA       ILE  84   1.666   1.894  -5.967
  657    HB   ILE  84           HB       ILE  84   0.932  -1.091  -5.248
  658   1HG1  ILE  84          1HG1      ILE  84   0.948  -0.805  -8.247
  659   2HG1  ILE  84          2HG1      ILE  84   2.144   0.293  -7.440
  660   1HG2  ILE  84          1HG2      ILE  84  -1.189   0.186  -7.047
  661   2HG2  ILE  84          2HG2      ILE  84  -0.794  -1.500  -6.963
  662   3HG2  ILE  84          3HG2      ILE  84  -1.494  -0.661  -5.548
  663   1HD1  ILE  84          1HD1      ILE  84   3.015  -1.651  -6.084
  664   2HD1  ILE  84          2HD1      ILE  84   2.064  -2.708  -7.154
  665   3HD1  ILE  84          3HD1      ILE  84   3.301  -1.511  -7.912
  666    H    PHE  85           H        PHE  85  -0.373   2.712  -6.519
  667    HA   PHE  85           HA       PHE  85  -2.077   3.599  -4.201
  668   1HB   PHE  85          1HB       PHE  85  -0.757   5.328  -6.489
  669   2HB   PHE  85          2HB       PHE  85  -1.970   6.139  -5.471
  670    HD1  PHE  85           1HD      PHE  85   1.487   4.595  -4.973
  671    HD2  PHE  85           2HD      PHE  85  -1.544   7.183  -3.516
  672    HE1  PHE  85           1HE      PHE  85   2.895   5.265  -3.170
  673    HE2  PHE  85           2HE      PHE  85  -0.187   7.940  -1.783
  674    HZ   PHE  85           HZ       PHE  85   2.119   6.843  -1.351
  675    H    LEU  86           H        LEU  86  -4.056   3.348  -4.629
  676    HA   LEU  86           HA       LEU  86  -5.113   2.675  -7.293
  677   1HB   LEU  86          1HB       LEU  86  -3.997   0.441  -5.851
  678   2HB   LEU  86          2HB       LEU  86  -5.456   0.644  -5.103
  679    HG   LEU  86           HG       LEU  86  -5.639  -1.038  -6.271
  680   1HD1  LEU  86          1HD1      LEU  86  -7.766  -0.832  -7.185
  681   2HD1  LEU  86          2HD1      LEU  86  -7.674   0.633  -6.155
  682   3HD1  LEU  86          3HD1      LEU  86  -7.358   0.782  -7.942
  683   1HD2  LEU  86          1HD2      LEU  86  -5.393  -1.076  -8.881
  684   2HD2  LEU  86          2HD2      LEU  86  -5.085   0.596  -8.853
  685   3HD2  LEU  86          3HD2      LEU  86  -3.899  -0.555  -8.051
  686    H    LYS  87           H        LYS  87  -6.931   3.759  -7.156
  687    HA   LYS  87           HA       LYS  87  -8.732   4.216  -4.886
  688   1HB   LYS  87          1HB       LYS  87  -7.228   6.189  -5.702
  689   2HB   LYS  87          2HB       LYS  87  -8.005   6.159  -7.292
  690   1HG   LYS  87          1HG       LYS  87 -10.222   7.028  -6.113
  691   2HG   LYS  87          2HG       LYS  87  -9.353   6.909  -4.784
  692   1HD   LYS  87          1HD       LYS  87  -7.808   8.754  -5.306
  693   2HD   LYS  87          2HD       LYS  87  -8.410   8.746  -7.008
  694   1HE   LYS  87          1HE       LYS  87 -10.712   9.279  -6.153
  695   2HE   LYS  87          2HE       LYS  87 -10.039   9.492  -4.544
  696   1HZ   LYS  87          1HZ       LYS  87  -9.975  11.105  -6.988
  697   2HZ   LYS  87          2HZ       LYS  87  -9.987  11.666  -5.533
  698    H    ASP  88           H        ASP  88 -10.993   4.733  -5.569
  699    HA   ASP  88           HA       ASP  88 -12.045   3.160  -7.725
  700   1HB   ASP  88          1HB       ASP  88 -14.214   4.624  -7.271
  701   2HB   ASP  88          2HB       ASP  88 -13.279   4.312  -5.737
  702    HD2  ASP  88           HD       ASP  88 -12.460   7.531  -5.044
  703    H    GLY  89           H        GLY  89  -9.895   4.231  -8.950
  704   1HA   GLY  89          1HA       GLY  89 -11.085   4.997 -11.506
  705   2HA   GLY  89          2HA       GLY  89  -9.901   6.136 -10.745
  706    H    LYS  90           H        LYS  90  -9.603   2.680 -10.323
  707    HA   LYS  90           HA       LYS  90  -8.181   1.134 -10.765
  708   1HB   LYS  90          1HB       LYS  90  -7.716   2.369 -13.525
  709   2HB   LYS  90          2HB       LYS  90  -6.912   0.877 -13.047
  710   1HG   LYS  90          1HG       LYS  90  -9.085  -0.242 -12.532
  711   2HG   LYS  90          2HG       LYS  90  -9.991   1.195 -13.011
  712   1HD   LYS  90          1HD       LYS  90  -8.171  -0.449 -14.869
  713   2HD   LYS  90          2HD       LYS  90  -9.901  -0.706 -14.511
  714   1HE   LYS  90          1HE       LYS  90 -10.497   1.490 -15.614
  715   2HE   LYS  90          2HE       LYS  90  -8.863   1.930 -15.783
  716   1HZ   LYS  90          1HZ       LYS  90 -10.312   0.010 -17.399
  717   2HZ   LYS  90          2HZ       LYS  90  -8.698  -0.301 -16.979
  718    H    LEU  91           H        LEU  91  -5.445   1.125 -11.626
  719    HA   LEU  91           HA       LEU  91  -3.955   2.301  -9.632
  720   1HB   LEU  91          1HB       LEU  91  -3.471   0.397 -11.072
  721   2HB   LEU  91          2HB       LEU  91  -3.389   1.320 -12.570
  722    HG   LEU  91           HG       LEU  91  -1.343   2.350 -11.742
  723   1HD1  LEU  91          1HD1      LEU  91  -1.617   2.167  -9.246
  724   2HD1  LEU  91          2HD1      LEU  91  -1.509   0.379  -9.267
  725   3HD1  LEU  91          3HD1      LEU  91  -0.036   1.563  -9.673
  726   1HD2  LEU  91          1HD2      LEU  91   0.179   0.204 -12.010
  727   2HD2  LEU  91          2HD2      LEU  91  -1.268  -0.732 -11.649
  728   3HD2  LEU  91          3HD2      LEU  91  -1.253   0.209 -13.165
  729    H    VAL  92           H        VAL  92  -4.395   4.598  -9.445
  730    HA   VAL  92           HA       VAL  92  -3.543   6.696 -11.250
  731    HB   VAL  92           HB       VAL  92  -3.863   8.002  -8.800
  732   1HG1  VAL  92          1HG1      VAL  92  -6.285   6.539  -9.651
  733   2HG1  VAL  92          2HG1      VAL  92  -6.231   8.098  -9.070
  734   3HG1  VAL  92          3HG1      VAL  92  -5.702   7.646 -10.744
  735   1HG2  VAL  92          1HG2      VAL  92  -4.932   5.473  -7.613
  736   2HG2  VAL  92          2HG2      VAL  92  -3.337   6.190  -7.276
  737   3HG2  VAL  92          3HG2      VAL  92  -4.941   7.154  -7.104
  738    H    ASP  93           H        ASP  93  -1.568   5.019  -9.025
  739    HA   ASP  93           HA       ASP  93   0.845   6.548 -10.072
  740   1HB   ASP  93          1HB       ASP  93  -0.111   8.248  -8.590
  741   2HB   ASP  93          2HB       ASP  93  -0.097   7.090  -7.221
  742    HD2  ASP  93           HD       ASP  93   1.629   8.745  -9.671
  743    H    LYS  94           H        LYS  94   2.740   5.712  -9.258
  744    HA   LYS  94           HA       LYS  94   2.975   3.454  -7.337
  745   1HB   LYS  94          1HB       LYS  94   4.193   1.959  -8.846
  746   2HB   LYS  94          2HB       LYS  94   2.500   2.163  -9.193
  747   1HG   LYS  94          1HG       LYS  94   3.302   3.914 -11.033
  748   2HG   LYS  94          2HG       LYS  94   4.770   3.036 -10.883
  749   1HD   LYS  94          1HD       LYS  94   3.719   0.849 -11.266
  750   2HD   LYS  94          2HD       LYS  94   2.066   1.460 -11.241
  751   1HE   LYS  94          1HE       LYS  94   4.499   1.930 -13.222
  752   2HE   LYS  94          2HE       LYS  94   3.148   0.839 -13.584
  753   1HZ   LYS  94          1HZ       LYS  94   3.128   3.868 -13.320
  754   2HZ   LYS  94          2HZ       LYS  94   1.687   2.977 -13.211
  755    H    THR  95           H        THR  95   5.180   3.144  -6.575
  756    HA   THR  95           HA       THR  95   7.403   4.769  -7.278
  757    HB   THR  95           HB       THR  95   6.020   5.537  -4.655
  758    HG1  THR  95           1HG      THR  95   5.740   6.503  -7.064
  759   1HG2  THR  95          1HG2      THR  95   8.456   5.811  -4.386
  760   2HG2  THR  95          2HG2      THR  95   8.780   6.327  -5.994
  761   3HG2  THR  95          3HG2      THR  95   7.895   7.495  -4.841
  762    H    VAL  96           H        VAL  96   9.214   4.020  -6.290
  763    HA   VAL  96           HA       VAL  96   8.948   1.709  -4.346
  764    HB   VAL  96           HB       VAL  96   8.968   0.741  -6.449
  765   1HG1  VAL  96          1HG1      VAL  96  11.293   2.467  -7.518
  766   2HG1  VAL  96          2HG1      VAL  96  10.546   1.238  -8.513
  767   3HG1  VAL  96          3HG1      VAL  96   9.653   2.692  -8.041
  768   1HG2  VAL  96          1HG2      VAL  96  10.481  -0.723  -5.539
  769   2HG2  VAL  96          2HG2      VAL  96  11.279  -0.589  -7.129
  770   3HG2  VAL  96          3HG2      VAL  96  11.861   0.185  -5.744
  771    H    GLY  97           H        GLY  97  10.012   2.385  -2.801
  772   1HA   GLY  97          1HA       GLY  97  12.912   2.973  -2.592
  773   2HA   GLY  97          2HA       GLY  97  11.961   4.487  -2.347
  774    H    ALA  98           H        ALA  98  12.765   4.582  -0.082
  775    HA   ALA  98           HA       ALA  98  11.075   3.424   1.966
  776   1HB   ALA  98          1HB       ALA  98  13.854   2.212   1.802
  777   2HB   ALA  98          2HB       ALA  98  12.862   2.166   3.323
  778   3HB   ALA  98          3HB       ALA  98  12.232   1.401   1.884
  779    H    ASP  99           H        ASP  99  10.901   5.417   2.909
  780    HA   ASP  99           HA       ASP  99  13.212   6.596   4.401
  781   1HB   ASP  99          1HB       ASP  99  13.604   7.431   1.917
  782   2HB   ASP  99          2HB       ASP  99  12.125   8.434   2.038
  783    HD2  ASP  99           HD       ASP  99  13.227  11.028   3.368
  784    H    LYS 100           H        LYS 100  12.455   7.761   6.235
  785    HA   LYS 100           HA       LYS 100   9.837   7.778   7.031
  786   1HB   LYS 100          1HB       LYS 100  10.306   9.090   8.933
  787   2HB   LYS 100          2HB       LYS 100  11.518   7.820   8.530
  788   1HG   LYS 100          1HG       LYS 100  12.880   9.603   7.318
  789   2HG   LYS 100          2HG       LYS 100  11.914  10.823   7.917
  790   1HD   LYS 100          1HD       LYS 100  12.558  10.159  10.333
  791   2HD   LYS 100          2HD       LYS 100  13.628   8.910   9.731
  792   1HE   LYS 100          1HE       LYS 100  15.219  10.539   8.614
  793   2HE   LYS 100          2HE       LYS 100  14.091  11.800   8.790
  794   1HZ   LYS 100          1HZ       LYS 100  15.283  10.357  11.039
  795   2HZ   LYS 100          2HZ       LYS 100  15.562  11.962  10.680
  796    H    ASP 101           H        ASP 101  11.207  10.706   5.960
  797    HA   ASP 101           HA       ASP 101   8.761  12.330   5.556
  798   1HB   ASP 101          1HB       ASP 101   9.910  14.204   5.002
  799   2HB   ASP 101          2HB       ASP 101  10.678  13.490   6.335
  800    HD2  ASP 101           HD       ASP 101  12.758  14.749   3.631
  801    H    GLY 102           H        GLY 102  10.558  10.265   3.319
  802   1HA   GLY 102          1HA       GLY 102   9.555  11.153   0.759
  803   2HA   GLY 102          2HA       GLY 102   9.923   9.478   1.199
  804    H    LEU 103           H        LEU 103   8.191   8.299   2.407
  805    HA   LEU 103           HA       LEU 103   5.804   8.083   0.919
  806   1HB   LEU 103          1HB       LEU 103   6.787   6.245   1.947
  807   2HB   LEU 103          2HB       LEU 103   6.916   7.057   3.505
  808    HG   LEU 103           HG       LEU 103   4.325   6.905   3.815
  809   1HD1  LEU 103          1HD1      LEU 103   3.142   5.378   2.247
  810   2HD1  LEU 103          2HD1      LEU 103   3.689   6.828   1.379
  811   3HD1  LEU 103          3HD1      LEU 103   4.512   5.210   1.212
  812   1HD2  LEU 103          1HD2      LEU 103   4.240   4.508   4.222
  813   2HD2  LEU 103          2HD2      LEU 103   5.818   4.232   3.371
  814   3HD2  LEU 103          3HD2      LEU 103   5.712   5.144   4.845
  815    HA   PRO 104           HA       PRO 104   3.079  10.602   4.142
  816   1HB   PRO 104          1HB       PRO 104   5.245  12.490   5.188
  817   2HB   PRO 104          2HB       PRO 104   3.754  11.916   5.875
  818   1HG   PRO 104          1HG       PRO 104   6.221  10.718   6.597
  819   2HG   PRO 104          2HG       PRO 104   4.776   9.878   6.681
  820   1HD   PRO 104          1HD       PRO 104   6.897   9.989   4.429
  821   2HD   PRO 104          2HD       PRO 104   5.792   8.610   5.114
  822    H    THR 105           H        THR 105   5.839  12.057   2.440
  823    HA   THR 105           HA       THR 105   4.320  14.509   1.584
  824    HB   THR 105           HB       THR 105   7.063  13.411   0.719
  825    HG1  THR 105           1HG      THR 105   6.363  15.784   2.172
  826   1HG2  THR 105          1HG2      THR 105   6.183  14.818  -1.137
  827   2HG2  THR 105          2HG2      THR 105   5.859  16.202  -0.142
  828   3HG2  THR 105          3HG2      THR 105   7.487  15.668  -0.292
  829    H    LEU 106           H        LEU 106   5.119  11.546  -0.219
  830    HA   LEU 106           HA       LEU 106   3.686  12.069  -2.645
  831   1HB   LEU 106          1HB       LEU 106   5.464  10.450  -2.298
  832   2HB   LEU 106          2HB       LEU 106   4.663   9.490  -1.156
  833    HG   LEU 106           HG       LEU 106   2.906   8.924  -3.137
  834   1HD1  LEU 106          1HD1      LEU 106   3.663   9.139  -5.469
  835   2HD1  LEU 106          2HD1      LEU 106   3.128  10.663  -4.892
  836   3HD1  LEU 106          3HD1      LEU 106   4.924  10.169  -5.004
  837   1HD2  LEU 106          1HD2      LEU 106   4.257   7.168  -4.008
  838   2HD2  LEU 106          2HD2      LEU 106   5.862   8.044  -3.784
  839   3HD2  LEU 106          3HD2      LEU 106   4.968   7.498  -2.415
  840    H    VAL 107           H        VAL 107   2.653  10.126   0.233
  841    HA   VAL 107           HA       VAL 107  -0.150   9.709  -0.514
  842    HB   VAL 107           HB       VAL 107   1.074   9.586   2.144
  843   1HG1  VAL 107          1HG1      VAL 107  -1.454   9.990   2.690
  844   2HG1  VAL 107          2HG1      VAL 107  -1.863   8.740   1.638
  845   3HG1  VAL 107          3HG1      VAL 107  -0.953   8.482   3.083
  846   1HG2  VAL 107          1HG2      VAL 107   0.627   7.175   1.924
  847   2HG2  VAL 107          2HG2      VAL 107  -0.027   7.392   0.328
  848   3HG2  VAL 107          3HG2      VAL 107   1.720   7.776   0.603
  849    H    ALA 108           H        ALA 108   1.102  12.157   1.627
  850    HA   ALA 108           HA       ALA 108  -1.189  13.705   1.902
  851   1HB   ALA 108          1HB       ALA 108   0.206  15.784   2.109
  852   2HB   ALA 108          2HB       ALA 108   1.046  14.418   2.901
  853   3HB   ALA 108          3HB       ALA 108   1.544  14.825   1.351
  854    H    LYS 109           H        LYS 109   0.998  14.154  -0.886
  855    HA   LYS 109           HA       LYS 109  -0.689  15.911  -2.430
  856   1HB   LYS 109          1HB       LYS 109   1.114  13.645  -3.519
  857   2HB   LYS 109          2HB       LYS 109   0.319  14.743  -4.561
  858   1HG   LYS 109          1HG       LYS 109   1.711  16.677  -3.671
  859   2HG   LYS 109          2HG       LYS 109   2.107  15.849  -2.282
  860   1HD   LYS 109          1HD       LYS 109   3.606  14.163  -3.440
  861   2HD   LYS 109          2HD       LYS 109   3.140  14.944  -4.938
  862   1HE   LYS 109          1HE       LYS 109   4.200  17.001  -4.476
  863   2HE   LYS 109          2HE       LYS 109   4.478  16.362  -2.659
  864   1HZ   LYS 109          1HZ       LYS 109   5.716  15.494  -5.205
  865   2HZ   LYS 109          2HZ       LYS 109   6.495  16.383  -4.170
  866    H    HIS 110           H        HIS 110  -0.771  12.267  -2.322
  867    HA   HIS 110           HA       HIS 110  -2.956  11.921  -4.246
  868   1HB   HIS 110          1HB       HIS 110  -1.510   9.976  -2.350
  869   2HB   HIS 110          2HB       HIS 110  -3.021   9.650  -3.006
  870    HD1  HIS 110           1HD      HIS 110  -3.325   9.422  -5.852
  871    HD2  HIS 110           2HD      HIS 110   0.463  10.982  -4.261
  872    HE1  HIS 110           1HE      HIS 110  -1.654   9.681  -7.644
  873    H    ALA 111           H        ALA 111  -3.109  11.237  -0.793
  874    HA   ALA 111           HA       ALA 111  -5.967  11.082  -0.478
  875   1HB   ALA 111          1HB       ALA 111  -5.185  10.830   1.977
  876   2HB   ALA 111          2HB       ALA 111  -4.207   9.952   0.859
  877   3HB   ALA 111          3HB       ALA 111  -3.639  11.358   1.547
  878    H    THR 112           H        THR 112  -4.097  13.979  -0.023
  879    HA   THR 112           HA       THR 112  -6.122  15.538   1.498
  880    HB   THR 112           HB       THR 112  -3.804  16.827  -0.005
  881    HG1  THR 112           1HG      THR 112  -2.769  16.646   2.036
  882   1HG2  THR 112          1HG2      THR 112  -5.442  18.471   0.601
  883   2HG2  THR 112          2HG2      THR 112  -5.528  17.883   2.340
  884   3HG2  THR 112          3HG2      THR 112  -4.067  18.681   1.680
  885    H    ALA 113           H        ALA 113  -5.203  15.848  -1.883
  886    HA   ALA 113           HA       ALA 113  -7.715  17.278  -2.686
  887   1HB   ALA 113          1HB       ALA 113  -5.858  15.678  -4.605
  888   2HB   ALA 113          2HB       ALA 113  -6.826  17.124  -5.006
  889   3HB   ALA 113          3HB       ALA 113  -5.345  17.243  -4.011
  890    HXT  ALA 113           HO       ALA 113  -8.141  13.310  -3.347
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1 -11.470   9.553  18.181
    2   2H    ALA   1          2H        ALA   1 -12.531   9.845  16.901
    3    HA   ALA   1           HA       ALA   1 -10.007   8.588  16.897
    4   1HB   ALA   1          1HB       ALA   1 -10.668   6.333  15.985
    5   2HB   ALA   1          2HB       ALA   1 -11.009   6.571  17.622
    6   3HB   ALA   1          3HB       ALA   1 -12.368   6.571  16.528
    7    H    GLU   2           H        GLU   2  -9.063   8.606  14.906
    8    HA   GLU   2           HA       GLU   2 -10.599   9.277  12.411
    9   1HB   GLU   2          1HB       GLU   2 -10.735  11.379  13.995
   10   2HB   GLU   2          2HB       GLU   2  -8.949  11.387  13.966
   11   1HG   GLU   2          1HG       GLU   2  -9.121  12.065  11.428
   12   2HG   GLU   2          2HG       GLU   2 -10.850  11.681  11.529
   13    HE2  GLU   2           HE       GLU   2  -9.396  14.922  13.359
   14    H    GLU   3           H        GLU   3  -9.573   7.756  11.285
   15    HA   GLU   3           HA       GLU   3  -6.795   7.982  10.532
   16   1HB   GLU   3          1HB       GLU   3  -5.704   6.116  11.485
   17   2HB   GLU   3          2HB       GLU   3  -6.141   7.270  12.682
   18   1HG   GLU   3          1HG       GLU   3  -8.010   5.781  13.265
   19   2HG   GLU   3          2HG       GLU   3  -7.656   4.611  12.022
   20    HE2  GLU   3           HE       GLU   3  -6.005   4.039  15.480
   21    H    GLY   4           H        GLY   4  -5.880   6.309   9.408
   22   1HA   GLY   4          1HA       GLY   4  -7.546   4.320   7.753
   23   2HA   GLY   4          2HA       GLY   4  -6.032   4.887   7.418
   24    H    GLN   5           H        GLN   5  -6.185   2.318   7.595
   25    HA   GLN   5           HA       GLN   5  -4.586   1.444  10.053
   26   1HB   GLN   5          1HB       GLN   5  -5.981  -0.399  10.372
   27   2HB   GLN   5          2HB       GLN   5  -6.876   1.182  10.563
   28   1HG   GLN   5          1HG       GLN   5  -7.570   0.495   8.024
   29   2HG   GLN   5          2HG       GLN   5  -7.172  -1.116   8.534
   30   1HE2  GLN   5          1HE2      GLN   5  -8.111  -1.624  10.931
   31   2HE2  GLN   5          2HE2      GLN   5  -9.900  -1.321  10.932
   32    H    VAL   6           H        VAL   6  -3.554  -0.353   9.761
   33    HA   VAL   6           HA       VAL   6  -2.473  -1.268   7.141
   34    HB   VAL   6           HB       VAL   6  -1.230  -0.825   9.731
   35   1HG1  VAL   6          1HG1      VAL   6   0.967  -1.374   8.709
   36   2HG1  VAL   6          2HG1      VAL   6  -0.218  -2.845   8.691
   37   3HG1  VAL   6          3HG1      VAL   6   0.068  -1.820   7.315
   38   1HG2  VAL   6          1HG2      VAL   6  -0.918   0.554   7.003
   39   2HG2  VAL   6          2HG2      VAL   6  -1.713   1.279   8.333
   40   3HG2  VAL   6          3HG2      VAL   6   0.068   1.014   8.458
   41    H    ILE   7           H        ILE   7  -2.863  -3.159   6.672
   42    HA   ILE   7           HA       ILE   7  -3.511  -5.430   8.543
   43    HB   ILE   7           HB       ILE   7  -5.409  -4.199   7.543
   44   1HG1  ILE   7          1HG1      ILE   7  -6.018  -6.198   8.555
   45   2HG1  ILE   7          2HG1      ILE   7  -6.942  -5.955   7.029
   46   1HG2  ILE   7          1HG2      ILE   7  -4.535  -4.008   5.114
   47   2HG2  ILE   7          2HG2      ILE   7  -4.929  -5.631   4.872
   48   3HG2  ILE   7          3HG2      ILE   7  -6.153  -4.447   5.318
   49   1HD1  ILE   7          1HD1      ILE   7  -4.550  -7.883   7.571
   50   2HD1  ILE   7          2HD1      ILE   7  -6.271  -8.357   7.605
   51   3HD1  ILE   7          3HD1      ILE   7  -5.404  -7.753   6.140
   52    H    ALA   8           H        ALA   8  -1.953  -6.779   8.352
   53    HA   ALA   8           HA       ALA   8  -0.395  -7.526   6.083
   54   1HB   ALA   8          1HB       ALA   8   0.298  -9.502   7.471
   55   2HB   ALA   8          2HB       ALA   8   0.147  -8.066   8.450
   56   3HB   ALA   8          3HB       ALA   8  -1.111  -9.339   8.438
   57    H    CYS   9           H        CYS   9  -0.313  -8.880   4.677
   58    HA   CYS   9           HA       CYS   9  -2.643 -10.631   3.832
   59   1HB   CYS   9          1HB       CYS   9  -1.370  -8.173   2.348
   60   2HB   CYS   9          2HB       CYS   9  -2.394  -9.405   1.453
   61    HG   CYS   9           HG       CYS   9  -3.090  -6.838   3.123
   62    H    HIS  10           H        HIS  10  -2.189 -12.256   2.977
   63    HA   HIS  10           HA       HIS  10   0.559 -13.036   2.002
   64   1HB   HIS  10          1HB       HIS  10  -0.979 -14.284   4.322
   65   2HB   HIS  10          2HB       HIS  10   0.304 -15.098   3.476
   66    HD1  HIS  10           1HD      HIS  10   2.884 -13.479   3.725
   67    HD2  HIS  10           2HD      HIS  10  -0.393 -12.801   6.401
   68    HE1  HIS  10           1HE      HIS  10   3.475 -11.820   5.593
   69    H    THR  11           H        THR  11  -2.717 -13.303   1.199
   70    HA   THR  11           HA       THR  11  -2.470 -15.893  -0.329
   71    HB   THR  11           HB       THR  11  -4.442 -16.763   0.878
   72    HG1  THR  11           1HG      THR  11  -4.860 -15.402   2.919
   73   1HG2  THR  11          1HG2      THR  11  -2.399 -17.472   1.983
   74   2HG2  THR  11          2HG2      THR  11  -2.498 -16.048   3.058
   75   3HG2  THR  11          3HG2      THR  11  -3.718 -17.231   3.180
   76    H    VAL  12           H        VAL  12  -4.970 -16.342  -1.069
   77    HA   VAL  12           HA       VAL  12  -5.928 -14.113  -2.826
   78    HB   VAL  12           HB       VAL  12  -6.197 -16.301  -3.547
   79   1HG1  VAL  12          1HG1      VAL  12  -8.187 -16.800  -1.125
   80   2HG1  VAL  12          2HG1      VAL  12  -7.902 -17.971  -2.533
   81   3HG1  VAL  12          3HG1      VAL  12  -6.642 -17.623  -1.358
   82   1HG2  VAL  12          1HG2      VAL  12  -7.784 -14.807  -4.500
   83   2HG2  VAL  12          2HG2      VAL  12  -8.574 -16.376  -4.341
   84   3HG2  VAL  12          3HG2      VAL  12  -8.974 -15.100  -3.194
   85    H    ASP  13           H        ASP  13  -6.261 -14.467   0.472
   86    HA   ASP  13           HA       ASP  13  -8.733 -12.984   0.905
   87   1HB   ASP  13          1HB       ASP  13  -6.219 -12.891   2.719
   88   2HB   ASP  13          2HB       ASP  13  -7.593 -12.070   3.092
   89    HD2  ASP  13           HD       ASP  13  -6.656 -13.520   4.574
   90    H    THR  14           H        THR  14  -5.745 -11.701   0.104
   91    HA   THR  14           HA       THR  14  -6.616  -8.865   0.152
   92    HB   THR  14           HB       THR  14  -4.209  -9.169   0.591
   93    HG1  THR  14           1HG      THR  14  -4.166  -7.727  -1.666
   94   1HG2  THR  14          1HG2      THR  14  -3.853 -10.871  -1.139
   95   2HG2  THR  14          2HG2      THR  14  -3.860  -9.671  -2.472
   96   3HG2  THR  14          3HG2      THR  14  -2.600  -9.562  -1.119
   97    H    TRP  15           H        TRP  15  -6.473 -11.354  -2.253
   98    HA   TRP  15           HA       TRP  15  -7.242  -9.649  -4.459
   99   1HB   TRP  15          1HB       TRP  15  -7.224 -12.684  -4.036
  100   2HB   TRP  15          2HB       TRP  15  -8.502 -12.107  -5.152
  101    HD1  TRP  15           HD       TRP  15  -4.887 -12.814  -4.945
  102    HE1  TRP  15           1HE      TRP  15  -3.617 -12.383  -7.118
  103    HE3  TRP  15           3HE      TRP  15  -8.471 -10.115  -6.961
  104    HZ2  TRP  15           2HZ      TRP  15  -4.273 -11.019  -9.553
  105    HZ3  TRP  15           3HZ      TRP  15  -7.943  -8.850  -9.179
  106    HH2  TRP  15           HH       TRP  15  -5.872  -9.453 -10.457
  107    H    LYS  16           H        LYS  16  -9.341 -11.049  -1.989
  108    HA   LYS  16           HA       LYS  16 -11.806  -9.717  -2.939
  109   1HB   LYS  16          1HB       LYS  16 -10.988 -10.619  -0.060
  110   2HB   LYS  16          2HB       LYS  16 -12.554  -9.884  -0.468
  111   1HG   LYS  16          1HG       LYS  16 -12.925 -11.746  -2.210
  112   2HG   LYS  16          2HG       LYS  16 -11.593 -12.582  -1.590
  113   1HD   LYS  16          1HD       LYS  16 -13.945 -11.813   0.210
  114   2HD   LYS  16          2HD       LYS  16 -13.835 -13.317  -0.546
  115   1HE   LYS  16          1HE       LYS  16 -11.764 -13.779   0.836
  116   2HE   LYS  16          2HE       LYS  16 -11.735 -12.120   1.454
  117   1HZ   LYS  16          1HZ       LYS  16 -12.605 -13.306   3.167
  118   2HZ   LYS  16          2HZ       LYS  16 -13.945 -12.756   2.422
  119    H    GLU  17           H        GLU  17  -9.179  -8.714  -0.601
  120    HA   GLU  17           HA       GLU  17 -10.428  -6.311   0.148
  121   1HB   GLU  17          1HB       GLU  17  -7.437  -6.910   0.667
  122   2HB   GLU  17          2HB       GLU  17  -8.428  -5.764   1.440
  123   1HG   GLU  17          1HG       GLU  17 -10.028  -7.416   2.479
  124   2HG   GLU  17          2HG       GLU  17  -9.172  -8.545   1.702
  125    HE2  GLU  17           HE       GLU  17  -6.972  -6.761   4.594
  126    H    HIS  18           H        HIS  18  -7.453  -6.621  -1.781
  127    HA   HIS  18           HA       HIS  18  -7.068  -3.844  -2.282
  128   1HB   HIS  18          1HB       HIS  18  -5.304  -5.597  -2.399
  129   2HB   HIS  18          2HB       HIS  18  -6.032  -6.381  -3.657
  130    HD1  HIS  18           1HD      HIS  18  -6.213  -4.785  -6.130
  131    HD2  HIS  18           2HD      HIS  18  -4.014  -3.134  -2.928
  132    HE1  HIS  18           1HE      HIS  18  -4.356  -3.332  -7.043
  133    H    PHE  19           H        PHE  19  -8.338  -6.195  -4.427
  134    HA   PHE  19           HA       PHE  19  -9.174  -4.440  -6.507
  135   1HB   PHE  19          1HB       PHE  19  -8.781  -7.017  -6.648
  136   2HB   PHE  19          2HB       PHE  19 -10.493  -7.241  -6.324
  137    HD1  PHE  19           1HD      PHE  19 -12.072  -6.721  -8.306
  138    HD2  PHE  19           2HD      PHE  19  -7.928  -5.779  -8.609
  139    HE1  PHE  19           1HE      PHE  19 -12.138  -6.483 -10.789
  140    HE2  PHE  19           2HE      PHE  19  -8.146  -5.625 -11.050
  141    HZ   PHE  19           HZ       PHE  19 -10.302  -6.115 -12.156
  142    H    GLU  20           H        GLU  20 -11.116  -5.615  -3.993
  143    HA   GLU  20           HA       GLU  20 -13.711  -4.432  -4.868
  144   1HB   GLU  20          1HB       GLU  20 -13.252  -5.735  -2.109
  145   2HB   GLU  20          2HB       GLU  20 -14.747  -5.130  -2.668
  146   1HG   GLU  20          1HG       GLU  20 -13.225  -7.356  -4.151
  147   2HG   GLU  20          2HG       GLU  20 -14.486  -7.711  -2.930
  148    HE2  GLU  20           HE       GLU  20 -15.440  -7.658  -6.663
  149    H    LYS  21           H        LYS  21 -11.620  -3.449  -1.933
  150    HA   LYS  21           HA       LYS  21 -12.884  -1.076  -1.281
  151   1HB   LYS  21          1HB       LYS  21 -10.028  -1.687  -1.248
  152   2HB   LYS  21          2HB       LYS  21 -10.735  -0.318  -0.542
  153   1HG   LYS  21          1HG       LYS  21 -11.759  -3.136   0.297
  154   2HG   LYS  21          2HG       LYS  21 -10.321  -2.421   1.111
  155   1HD   LYS  21          1HD       LYS  21 -11.832  -0.490   1.753
  156   2HD   LYS  21          2HD       LYS  21 -13.122  -1.259   1.028
  157   1HE   LYS  21          1HE       LYS  21 -13.289  -1.636   3.394
  158   2HE   LYS  21          2HE       LYS  21 -13.081  -3.233   2.519
  159   1HZ   LYS  21          1HZ       LYS  21 -10.868  -1.742   4.310
  160   2HZ   LYS  21          2HZ       LYS  21 -11.650  -3.232   4.585
  161    H    GLY  22           H        GLY  22 -10.333  -1.701  -3.610
  162   1HA   GLY  22          1HA       GLY  22  -9.452   0.852  -4.646
  163   2HA   GLY  22          2HA       GLY  22  -9.320  -0.646  -5.387
  164    H    LYS  23           H        LYS  23 -10.823  -1.257  -6.881
  165    HA   LYS  23           HA       LYS  23 -12.884   0.667  -8.032
  166   1HB   LYS  23          1HB       LYS  23 -11.400  -0.683  -9.439
  167   2HB   LYS  23          2HB       LYS  23 -12.085  -2.155  -8.926
  168   1HG   LYS  23          1HG       LYS  23 -14.243  -0.273  -9.820
  169   2HG   LYS  23          2HG       LYS  23 -13.196  -0.580 -11.090
  170   1HD   LYS  23          1HD       LYS  23 -14.537  -2.898  -9.458
  171   2HD   LYS  23          2HD       LYS  23 -15.279  -2.158 -10.744
  172   1HE   LYS  23          1HE       LYS  23 -12.461  -3.414 -10.965
  173   2HE   LYS  23          2HE       LYS  23 -13.964  -4.285 -11.278
  174   1HZ   LYS  23          1HZ       LYS  23 -13.338  -1.822 -12.785
  175   2HZ   LYS  23          2HZ       LYS  23 -12.733  -3.258 -13.300
  176    H    GLY  24           H        GLY  24 -14.349   0.818  -6.653
  177   1HA   GLY  24          1HA       GLY  24 -16.632  -0.641  -6.679
  178   2HA   GLY  24          2HA       GLY  24 -15.862  -1.432  -5.313
  179    H    SER  25           H        SER  25 -14.575   0.811  -4.375
  180    HA   SER  25           HA       SER  25 -16.633   1.942  -2.502
  181   1HB   SER  25          1HB       SER  25 -13.886   1.205  -1.381
  182   2HB   SER  25          2HB       SER  25 -15.316   1.653  -0.560
  183    HG   SER  25           HG       SER  25 -16.264  -0.185  -1.750
  184    H    GLN  26           H        GLN  26 -16.578   3.895  -2.628
  185    HA   GLN  26           HA       GLN  26 -14.656   5.726  -3.861
  186   1HB   GLN  26          1HB       GLN  26 -16.907   6.664  -1.961
  187   2HB   GLN  26          2HB       GLN  26 -15.813   7.733  -2.856
  188   1HG   GLN  26          1HG       GLN  26 -17.849   7.777  -4.204
  189   2HG   GLN  26          2HG       GLN  26 -16.488   7.140  -5.073
  190   1HE2  GLN  26          1HE2      GLN  26 -17.268   5.814  -6.414
  191   2HE2  GLN  26          2HE2      GLN  26 -18.412   4.418  -6.031
  192    H    LYS  27           H        LYS  27 -12.836   4.817  -2.691
  193    HA   LYS  27           HA       LYS  27 -11.909   6.788  -0.642
  194   1HB   LYS  27          1HB       LYS  27 -11.433   5.395   0.961
  195   2HB   LYS  27          2HB       LYS  27 -13.009   5.066   0.773
  196   1HG   LYS  27          1HG       LYS  27 -12.040   2.948  -0.555
  197   2HG   LYS  27          2HG       LYS  27 -10.480   3.400  -0.179
  198   1HD   LYS  27          1HD       LYS  27 -11.234   1.654   1.226
  199   2HD   LYS  27          2HD       LYS  27 -10.644   2.943   2.253
  200   1HE   LYS  27          1HE       LYS  27 -13.828   2.663   1.696
  201   2HE   LYS  27          2HE       LYS  27 -12.892   1.360   2.566
  202   1HZ   LYS  27          1HZ       LYS  27 -12.033   3.105   3.932
  203   2HZ   LYS  27          2HZ       LYS  27 -12.928   4.316   3.405
  204    H    LEU  28           H        LEU  28  -9.702   6.213  -0.323
  205    HA   LEU  28           HA       LEU  28  -7.980   5.329  -2.705
  206   1HB   LEU  28          1HB       LEU  28  -7.885   7.909  -2.025
  207   2HB   LEU  28          2HB       LEU  28  -7.249   7.432  -0.410
  208    HG   LEU  28           HG       LEU  28  -5.264   6.340  -1.535
  209   1HD1  LEU  28          1HD1      LEU  28  -5.933   5.859  -3.857
  210   2HD1  LEU  28          2HD1      LEU  28  -6.267   7.642  -4.063
  211   3HD1  LEU  28          3HD1      LEU  28  -4.626   7.024  -3.851
  212   1HD2  LEU  28          1HD2      LEU  28  -5.418   9.200  -2.283
  213   2HD2  LEU  28          2HD2      LEU  28  -5.278   8.649  -0.551
  214   3HD2  LEU  28          3HD2      LEU  28  -4.055   8.197  -1.755
  215    H    ILE  29           H        ILE  29  -6.245   4.181  -2.380
  216    HA   ILE  29           HA       ILE  29  -5.850   2.799   0.005
  217    HB   ILE  29           HB       ILE  29  -6.089   0.589  -0.737
  218   1HG1  ILE  29          1HG1      ILE  29  -7.354   1.118  -3.410
  219   2HG1  ILE  29          2HG1      ILE  29  -5.571   1.038  -3.124
  220   1HG2  ILE  29          1HG2      ILE  29  -8.346   0.151  -0.742
  221   2HG2  ILE  29          2HG2      ILE  29  -8.375   1.694   0.056
  222   3HG2  ILE  29          3HG2      ILE  29  -8.855   1.610  -1.721
  223   1HD1  ILE  29          1HD1      ILE  29  -5.609  -1.305  -2.660
  224   2HD1  ILE  29          2HD1      ILE  29  -7.395  -1.265  -2.345
  225   3HD1  ILE  29          3HD1      ILE  29  -6.776  -1.045  -4.017
  226    H    VAL  30           H        VAL  30  -3.931   2.044   0.228
  227    HA   VAL  30           HA       VAL  30  -1.819   2.455  -1.926
  228    HB   VAL  30           HB       VAL  30  -1.618   3.710   0.794
  229   1HG1  VAL  30          1HG1      VAL  30   0.591   2.922  -0.088
  230   2HG1  VAL  30          2HG1      VAL  30   0.379   4.240  -1.306
  231   3HG1  VAL  30          3HG1      VAL  30   0.542   4.559   0.428
  232   1HG2  VAL  30          1HG2      VAL  30  -1.621   5.905  -0.072
  233   2HG2  VAL  30          2HG2      VAL  30  -2.179   5.414  -1.679
  234   3HG2  VAL  30          3HG2      VAL  30  -3.262   5.048  -0.412
  235    H    VAL  31           H        VAL  31  -0.275   1.153  -1.691
  236    HA   VAL  31           HA       VAL  31  -0.360  -1.071   0.331
  237    HB   VAL  31           HB       VAL  31  -1.987  -1.778  -1.166
  238   1HG1  VAL  31          1HG1      VAL  31  -0.314  -1.277  -3.572
  239   2HG1  VAL  31          2HG1      VAL  31  -1.749  -2.369  -3.432
  240   3HG1  VAL  31          3HG1      VAL  31  -1.876  -0.603  -3.049
  241   1HG2  VAL  31          1HG2      VAL  31  -1.302  -4.017  -1.868
  242   2HG2  VAL  31          2HG2      VAL  31   0.444  -3.513  -1.951
  243   3HG2  VAL  31          3HG2      VAL  31  -0.292  -3.755  -0.467
  244    H    ASP  32           H        ASP  32   1.593  -1.312   0.993
  245    HA   ASP  32           HA       ASP  32   4.086  -1.187  -0.503
  246   1HB   ASP  32          1HB       ASP  32   3.810  -0.704   2.002
  247   2HB   ASP  32          2HB       ASP  32   3.844  -2.495   2.308
  248    HD2  ASP  32           HD       ASP  32   7.301  -1.429   0.601
  249    H    PHE  33           H        PHE  33   5.210  -2.903  -1.254
  250    HA   PHE  33           HA       PHE  33   4.209  -5.810  -1.488
  251   1HB   PHE  33          1HB       PHE  33   4.912  -3.692  -3.613
  252   2HB   PHE  33          2HB       PHE  33   5.112  -5.259  -4.011
  253    HD1  PHE  33           1HD      PHE  33   2.837  -6.818  -3.104
  254    HD2  PHE  33           2HD      PHE  33   2.865  -2.647  -4.177
  255    HE1  PHE  33           1HE      PHE  33   0.445  -6.781  -3.723
  256    HE2  PHE  33           2HE      PHE  33   0.526  -2.776  -4.728
  257    HZ   PHE  33           HZ       PHE  33  -0.763  -4.917  -4.586
  258    H    THR  34           H        THR  34   6.105  -6.885  -0.507
  259    HA   THR  34           HA       THR  34   8.676  -5.558  -0.370
  260    HB   THR  34           HB       THR  34   7.689  -4.152   1.234
  261    HG1  THR  34           1HG      THR  34   9.153  -6.329   2.345
  262   1HG2  THR  34          1HG2      THR  34   6.828  -6.707   2.847
  263   2HG2  THR  34          2HG2      THR  34   7.076  -5.093   3.462
  264   3HG2  THR  34          3HG2      THR  34   5.759  -5.292   2.169
  265    H    ALA  35           H        ALA  35   9.928  -7.159   0.061
  266    HA   ALA  35           HA       ALA  35   9.183 -10.021   0.719
  267   1HB   ALA  35          1HB       ALA  35  11.558 -10.328   0.715
  268   2HB   ALA  35          2HB       ALA  35  11.230  -9.338  -0.626
  269   3HB   ALA  35          3HB       ALA  35  11.912  -8.554   0.752
  270    H    SER  36           H        SER  36   8.729 -10.681   2.636
  271    HA   SER  36           HA       SER  36   8.851  -9.597   5.205
  272   1HB   SER  36          1HB       SER  36   7.630 -11.610   4.667
  273   2HB   SER  36          2HB       SER  36   9.197 -12.644   4.933
  274    HG   SER  36           HG       SER  36   8.199 -10.784   6.812
  275    H    TRP  37           H        TRP  37  11.660 -10.847   3.693
  276    HA   TRP  37           HA       TRP  37  13.615 -10.354   5.992
  277   1HB   TRP  37          1HB       TRP  37  15.192 -11.620   4.566
  278   2HB   TRP  37          2HB       TRP  37  13.834 -12.680   4.919
  279    HD1  TRP  37           HD       TRP  37  12.090 -13.175   2.726
  280    HE1  TRP  37           1HE      TRP  37  12.149 -12.924   0.177
  281    HE3  TRP  37           3HE      TRP  37  16.340 -10.466   2.578
  282    HZ2  TRP  37           2HZ      TRP  37  14.137 -11.858  -1.701
  283    HZ3  TRP  37           3HZ      TRP  37  17.484 -10.232   0.388
  284    HH2  TRP  37           HH       TRP  37  16.228 -10.869  -1.707
  285    H    CYS  38           H        CYS  38  13.389  -8.330   6.135
  286    HA   CYS  38           HA       CYS  38  14.772  -6.511   4.406
  287   1HB   CYS  38          1HB       CYS  38  12.909  -6.633   2.922
  288   2HB   CYS  38          2HB       CYS  38  11.792  -6.290   4.234
  289    HG   CYS  38           HG       CYS  38  12.904  -4.359   2.258
  290    HA   PRO  39           HA       PRO  39  14.370  -4.794   8.951
  291   1HB   PRO  39          1HB       PRO  39  16.923  -3.564   8.358
  292   2HB   PRO  39          2HB       PRO  39  16.515  -4.696   9.668
  293   1HG   PRO  39          1HG       PRO  39  18.135  -5.530   7.506
  294   2HG   PRO  39          2HG       PRO  39  17.312  -6.420   8.825
  295   1HD   PRO  39          1HD       PRO  39  16.672  -6.037   5.840
  296   2HD   PRO  39          2HD       PRO  39  16.075  -7.429   6.912
  297    HA   PRO  40           HA       PRO  40  14.791  -0.172   6.543
  298   1HB   PRO  40          1HB       PRO  40  14.510  -1.152   3.795
  299   2HB   PRO  40          2HB       PRO  40  15.680   0.029   4.528
  300   1HG   PRO  40          1HG       PRO  40  16.682  -2.210   3.696
  301   2HG   PRO  40          2HG       PRO  40  17.262  -1.331   5.212
  302   1HD   PRO  40          1HD       PRO  40  15.158  -3.647   4.824
  303   2HD   PRO  40          2HD       PRO  40  16.594  -3.723   5.931
  304    H    CYS  41           H        CYS  41  12.704  -2.712   4.884
  305    HA   CYS  41           HA       CYS  41  10.231  -1.213   5.389
  306   1HB   CYS  41          1HB       CYS  41  10.528  -3.707   3.802
  307   2HB   CYS  41          2HB       CYS  41   9.015  -2.959   4.148
  308    HG   CYS  41           HG       CYS  41   9.228  -1.755   1.853
  309    H    LYS  42           H        LYS  42  11.735  -3.487   7.227
  310    HA   LYS  42           HA       LYS  42   9.449  -3.947   8.928
  311   1HB   LYS  42          1HB       LYS  42  12.121  -4.946   8.859
  312   2HB   LYS  42          2HB       LYS  42  12.154  -3.913  10.256
  313   1HG   LYS  42          1HG       LYS  42  10.100  -5.183  11.175
  314   2HG   LYS  42          2HG       LYS  42  10.299  -6.168   9.757
  315   1HD   LYS  42          1HD       LYS  42  12.229  -7.207  10.664
  316   2HD   LYS  42          2HD       LYS  42  12.681  -5.816  11.559
  317   1HE   LYS  42          1HE       LYS  42  12.129  -7.508  13.219
  318   2HE   LYS  42          2HE       LYS  42  10.762  -6.370  13.216
  319   1HZ   LYS  42          1HZ       LYS  42   9.633  -8.017  11.671
  320   2HZ   LYS  42          2HZ       LYS  42  10.871  -8.919  11.595
  321    H    MET  43           H        MET  43  11.938  -1.337   9.278
  322    HA   MET  43           HA       MET  43  10.301   0.159  11.042
  323   1HB   MET  43          1HB       MET  43  11.709   2.116  10.891
  324   2HB   MET  43          2HB       MET  43  12.648   0.566  11.142
  325   1HG   MET  43          1HG       MET  43  13.207   0.571   8.732
  326   2HG   MET  43          2HG       MET  43  12.414   2.121   8.550
  327   1HE   MET  43          1HE       MET  43  16.543   2.465   8.606
  328   2HE   MET  43          2HE       MET  43  15.771   0.924   8.244
  329   3HE   MET  43          3HE       MET  43  15.035   2.491   7.674
  330    H    ILE  44           H        ILE  44  10.331   0.065   7.616
  331    HA   ILE  44           HA       ILE  44   8.667   2.475   7.261
  332    HB   ILE  44           HB       ILE  44  10.006   1.160   5.430
  333   1HG1  ILE  44          1HG1      ILE  44   8.869   2.713   3.741
  334   2HG1  ILE  44          2HG1      ILE  44   7.819   3.395   4.970
  335   1HG2  ILE  44          1HG2      ILE  44   7.221   0.576   4.448
  336   2HG2  ILE  44          2HG2      ILE  44   8.827   0.181   3.707
  337   3HG2  ILE  44          3HG2      ILE  44   8.163  -0.683   5.078
  338   1HD1  ILE  44          1HD1      ILE  44  10.143   3.994   6.320
  339   2HD1  ILE  44          2HD1      ILE  44  10.806   3.556   4.827
  340   3HD1  ILE  44          3HD1      ILE  44   9.609   4.852   4.804
  341    H    ALA  45           H        ALA  45   7.721  -0.848   7.877
  342    HA   ALA  45           HA       ALA  45   4.874  -0.410   7.827
  343   1HB   ALA  45          1HB       ALA  45   6.490  -2.245   9.771
  344   2HB   ALA  45          2HB       ALA  45   4.743  -2.403   9.330
  345   3HB   ALA  45          3HB       ALA  45   6.054  -2.632   8.152
  346    HA   PRO  46           HA       PRO  46   4.794   1.865  12.260
  347   1HB   PRO  46          1HB       PRO  46   7.734   2.688  11.893
  348   2HB   PRO  46          2HB       PRO  46   6.902   2.634  13.479
  349   1HG   PRO  46          1HG       PRO  46   8.535   0.603  12.854
  350   2HG   PRO  46          2HG       PRO  46   6.967   0.205  13.548
  351   1HD   PRO  46          1HD       PRO  46   7.830   0.036  10.736
  352   2HD   PRO  46          2HD       PRO  46   6.756  -1.109  11.507
  353    H    ILE  47           H        ILE  47   7.105   3.279   9.780
  354    HA   ILE  47           HA       ILE  47   5.986   5.843   9.831
  355    HB   ILE  47           HB       ILE  47   7.460   4.385   7.558
  356   1HG1  ILE  47          1HG1      ILE  47   8.977   4.665   9.497
  357   2HG1  ILE  47          2HG1      ILE  47   9.376   5.726   8.198
  358   1HG2  ILE  47          1HG2      ILE  47   6.028   6.223   6.586
  359   2HG2  ILE  47          2HG2      ILE  47   6.733   7.388   7.809
  360   3HG2  ILE  47          3HG2      ILE  47   7.769   6.761   6.543
  361   1HD1  ILE  47          1HD1      ILE  47   9.538   7.043  10.297
  362   2HD1  ILE  47          2HD1      ILE  47   7.871   7.554   9.756
  363   3HD1  ILE  47          3HD1      ILE  47   8.006   6.289  10.845
  364    H    PHE  48           H        PHE  48   5.003   3.211   7.622
  365    HA   PHE  48           HA       PHE  48   2.734   4.336   6.485
  366   1HB   PHE  48          1HB       PHE  48   4.114   2.268   5.804
  367   2HB   PHE  48          2HB       PHE  48   3.447   1.410   7.151
  368    HD1  PHE  48           1HD      PHE  48   1.865  -0.173   6.142
  369    HD2  PHE  48           2HD      PHE  48   2.443   3.466   4.094
  370    HE1  PHE  48           1HE      PHE  48   0.937  -1.210   4.211
  371    HE2  PHE  48           2HE      PHE  48   1.299   2.612   2.120
  372    HZ   PHE  48           HZ       PHE  48   0.630   0.183   2.099
  373    H    ALA  49           H        ALA  49   3.049   2.568   9.533
  374    HA   ALA  49           HA       ALA  49   0.181   2.839  10.363
  375   1HB   ALA  49          1HB       ALA  49   1.153   1.031  11.374
  376   2HB   ALA  49          2HB       ALA  49   2.521   1.960  12.107
  377   3HB   ALA  49          3HB       ALA  49   0.882   2.181  12.673
  378    H    GLU  50           H        GLU  50   3.028   4.846  11.395
  379    HA   GLU  50           HA       GLU  50   1.211   6.746  12.610
  380   1HB   GLU  50          1HB       GLU  50   3.930   6.541  12.812
  381   2HB   GLU  50          2HB       GLU  50   3.949   7.398  11.367
  382   1HG   GLU  50          1HG       GLU  50   2.602   8.403  14.016
  383   2HG   GLU  50          2HG       GLU  50   4.237   8.540  13.532
  384    HE2  GLU  50           HE       GLU  50   2.073  11.491  12.549
  385    H    LEU  51           H        LEU  51   2.436   6.855   9.374
  386    HA   LEU  51           HA       LEU  51   1.224   9.204   8.420
  387   1HB   LEU  51          1HB       LEU  51   2.969   8.003   7.393
  388   2HB   LEU  51          2HB       LEU  51   1.997   6.524   7.331
  389    HG   LEU  51           HG       LEU  51   2.635   8.092   5.258
  390   1HD1  LEU  51          1HD1      LEU  51   0.310   6.205   5.757
  391   2HD1  LEU  51          2HD1      LEU  51   0.157   7.176   4.267
  392   3HD1  LEU  51          3HD1      LEU  51   1.555   6.217   4.484
  393   1HD2  LEU  51          1HD2      LEU  51   1.578  10.237   6.340
  394   2HD2  LEU  51          2HD2      LEU  51   0.997   9.896   4.618
  395   3HD2  LEU  51          3HD2      LEU  51  -0.004   9.456   6.046
  396    H    ALA  52           H        ALA  52  -0.092   5.813   8.779
  397    HA   ALA  52           HA       ALA  52  -2.743   6.331   7.580
  398   1HB   ALA  52          1HB       ALA  52  -1.639   4.021   7.841
  399   2HB   ALA  52          2HB       ALA  52  -1.655   4.107   9.544
  400   3HB   ALA  52          3HB       ALA  52  -3.204   4.074   8.762
  401    H    LYS  53           H        LYS  53  -1.471   6.717  10.825
  402    HA   LYS  53           HA       LYS  53  -3.906   7.334  12.311
  403   1HB   LYS  53          1HB       LYS  53  -1.139   8.047  13.119
  404   2HB   LYS  53          2HB       LYS  53  -2.528   8.503  14.031
  405   1HG   LYS  53          1HG       LYS  53  -3.039   5.922  13.895
  406   2HG   LYS  53          2HG       LYS  53  -1.437   5.529  13.560
  407   1HD   LYS  53          1HD       LYS  53  -2.620   6.858  16.061
  408   2HD   LYS  53          2HD       LYS  53  -1.675   5.348  16.057
  409   1HE   LYS  53          1HE       LYS  53   0.440   6.436  15.943
  410   2HE   LYS  53          2HE       LYS  53  -0.134   7.880  15.275
  411   1HZ   LYS  53          1HZ       LYS  53   0.228   7.323  17.999
  412   2HZ   LYS  53          2HZ       LYS  53  -0.582   8.536  17.298
  413    H    LYS  54           H        LYS  54  -1.881   9.163  10.306
  414    HA   LYS  54           HA       LYS  54  -2.739  11.931  11.057
  415   1HB   LYS  54          1HB       LYS  54  -0.435  11.165  10.195
  416   2HB   LYS  54          2HB       LYS  54  -1.214  11.095   8.633
  417   1HG   LYS  54          1HG       LYS  54  -1.623  13.431   8.776
  418   2HG   LYS  54          2HG       LYS  54  -1.124  13.568  10.449
  419   1HD   LYS  54          1HD       LYS  54   0.629  13.023   8.142
  420   2HD   LYS  54          2HD       LYS  54   0.704  14.577   8.925
  421   1HE   LYS  54          1HE       LYS  54   1.375  13.281  11.137
  422   2HE   LYS  54          2HE       LYS  54   1.817  11.980  10.098
  423   1HZ   LYS  54          1HZ       LYS  54   2.943  14.629   9.582
  424   2HZ   LYS  54          2HZ       LYS  54   3.614  13.572  10.713
  425    H    PHE  55           H        PHE  55  -3.360   9.688   8.680
  426    HA   PHE  55           HA       PHE  55  -5.429  11.218   7.158
  427   1HB   PHE  55          1HB       PHE  55  -2.932   9.439   6.444
  428   2HB   PHE  55          2HB       PHE  55  -4.129   9.486   5.220
  429    HD1  PHE  55           1HD      PHE  55  -4.801  11.969   4.475
  430    HD2  PHE  55           2HD      PHE  55  -1.218  11.211   6.519
  431    HE1  PHE  55           1HE      PHE  55  -3.948  14.329   3.914
  432    HE2  PHE  55           2HE      PHE  55  -0.315  13.643   5.727
  433    HZ   PHE  55           HZ       PHE  55  -1.859  15.006   4.537
  434    HA   PRO  56           HA       PRO  56  -8.559   7.926   8.065
  435   1HB   PRO  56          1HB       PRO  56 -10.528   9.372   8.373
  436   2HB   PRO  56          2HB       PRO  56  -9.166   9.483   9.376
  437   1HG   PRO  56          1HG       PRO  56  -9.912  11.317   7.120
  438   2HG   PRO  56          2HG       PRO  56  -9.531  11.685   8.752
  439   1HD   PRO  56          1HD       PRO  56  -7.481  11.636   6.797
  440   2HD   PRO  56          2HD       PRO  56  -7.143  11.321   8.529
  441    H    ASN  57           H        ASN  57  -8.284   8.854   4.945
  442    HA   ASN  57           HA       ASN  57 -11.109   8.105   4.093
  443   1HB   ASN  57          1HB       ASN  57 -10.943   9.253   1.939
  444   2HB   ASN  57          2HB       ASN  57 -11.020  10.314   3.311
  445   1HD2  ASN  57          1HD2      ASN  57  -8.559  11.178   3.894
  446   2HD2  ASN  57          2HD2      ASN  57  -7.494  11.454   2.461
  447    H    VAL  58           H        VAL  58  -8.270   7.019   4.452
  448    HA   VAL  58           HA       VAL  58  -7.786   5.292   2.071
  449    HB   VAL  58           HB       VAL  58  -6.791   7.377   1.983
  450   1HG1  VAL  58          1HG1      VAL  58  -5.499   6.897   4.527
  451   2HG1  VAL  58          2HG1      VAL  58  -4.814   8.094   3.348
  452   3HG1  VAL  58          3HG1      VAL  58  -6.535   8.211   4.003
  453   1HG2  VAL  58          1HG2      VAL  58  -4.440   6.768   1.190
  454   2HG2  VAL  58          2HG2      VAL  58  -4.206   5.460   2.452
  455   3HG2  VAL  58          3HG2      VAL  58  -5.460   5.215   1.107
  456    H    THR  59           H        THR  59  -7.467   3.193   2.193
  457    HA   THR  59           HA       THR  59  -6.852   1.837   4.825
  458    HB   THR  59           HB       THR  59  -7.761   0.925   2.012
  459    HG1  THR  59           1HG      THR  59  -9.268   1.646   3.976
  460   1HG2  THR  59          1HG2      THR  59  -7.647  -1.350   2.693
  461   2HG2  THR  59          2HG2      THR  59  -6.091  -0.740   3.363
  462   3HG2  THR  59          3HG2      THR  59  -7.557  -0.964   4.342
  463    H    PHE  60           H        PHE  60  -5.121   0.611   4.822
  464    HA   PHE  60           HA       PHE  60  -2.883   0.712   2.864
  465   1HB   PHE  60          1HB       PHE  60  -2.839   1.456   5.888
  466   2HB   PHE  60          2HB       PHE  60  -1.257   1.217   4.963
  467    HD1  PHE  60           1HD      PHE  60  -0.934   3.038   2.908
  468    HD2  PHE  60           2HD      PHE  60  -3.724   3.306   6.001
  469    HE1  PHE  60           1HE      PHE  60  -0.864   5.408   2.616
  470    HE2  PHE  60           2HE      PHE  60  -3.740   5.799   5.836
  471    HZ   PHE  60           HZ       PHE  60  -2.436   6.901   4.128
  472    H    LEU  61           H        LEU  61  -2.143  -0.980   2.469
  473    HA   LEU  61           HA       LEU  61  -2.079  -3.309   4.240
  474   1HB   LEU  61          1HB       LEU  61  -3.503  -4.697   3.124
  475   2HB   LEU  61          2HB       LEU  61  -4.318  -3.371   2.803
  476    HG   LEU  61           HG       LEU  61  -2.690  -3.343   0.585
  477   1HD1  LEU  61          1HD1      LEU  61  -3.526  -6.258   0.859
  478   2HD1  LEU  61          2HD1      LEU  61  -2.436  -5.626  -0.378
  479   3HD1  LEU  61          3HD1      LEU  61  -1.909  -5.823   1.355
  480   1HD2  LEU  61          1HD2      LEU  61  -5.122  -3.063   0.441
  481   2HD2  LEU  61          2HD2      LEU  61  -4.533  -4.109  -0.842
  482   3HD2  LEU  61          3HD2      LEU  61  -5.418  -4.797   0.577
  483    H    LYS  62           H        LYS  62  -0.911  -5.025   3.643
  484    HA   LYS  62           HA       LYS  62   1.651  -4.367   2.421
  485   1HB   LYS  62          1HB       LYS  62   3.042  -4.477   4.363
  486   2HB   LYS  62          2HB       LYS  62   1.768  -3.405   4.619
  487   1HG   LYS  62          1HG       LYS  62   0.422  -5.012   5.972
  488   2HG   LYS  62          2HG       LYS  62   1.554  -6.239   5.648
  489   1HD   LYS  62          1HD       LYS  62   3.354  -5.052   6.878
  490   2HD   LYS  62          2HD       LYS  62   2.193  -3.677   7.174
  491   1HE   LYS  62          1HE       LYS  62   0.940  -5.359   8.604
  492   2HE   LYS  62          2HE       LYS  62   2.115  -6.592   8.033
  493   1HZ   LYS  62          1HZ       LYS  62   3.572  -4.520   9.404
  494   2HZ   LYS  62          2HZ       LYS  62   3.417  -6.109   9.785
  495    H    VAL  63           H        VAL  63   2.353  -5.982   1.384
  496    HA   VAL  63           HA       VAL  63   1.156  -8.763   1.580
  497    HB   VAL  63           HB       VAL  63   1.947  -7.153  -0.912
  498   1HG1  VAL  63          1HG1      VAL  63   0.884  -8.968  -2.183
  499   2HG1  VAL  63          2HG1      VAL  63   2.498  -9.333  -1.574
  500   3HG1  VAL  63          3HG1      VAL  63   1.066  -9.994  -0.748
  501   1HG2  VAL  63          1HG2      VAL  63  -0.307  -6.267  -0.101
  502   2HG2  VAL  63          2HG2      VAL  63  -0.551  -7.254  -1.473
  503   3HG2  VAL  63          3HG2      VAL  63  -0.870  -7.969   0.135
  504    H    ASP  64           H        ASP  64   2.571 -10.072   2.057
  505    HA   ASP  64           HA       ASP  64   5.511 -10.298   1.745
  506   1HB   ASP  64          1HB       ASP  64   3.675 -11.547   3.254
  507   2HB   ASP  64          2HB       ASP  64   3.432 -12.561   1.888
  508    HD2  ASP  64           HD       ASP  64   7.062 -13.532   2.238
  509    H    VAL  65           H        VAL  65   6.494 -10.257  -0.202
  510    HA   VAL  65           HA       VAL  65   5.141 -10.662  -2.690
  511    HB   VAL  65           HB       VAL  65   6.947  -9.097  -2.114
  512   1HG1  VAL  65          1HG1      VAL  65   9.333  -9.591  -2.543
  513   2HG1  VAL  65          2HG1      VAL  65   8.711 -10.803  -1.426
  514   3HG1  VAL  65          3HG1      VAL  65   9.095 -11.300  -3.095
  515   1HG2  VAL  65          1HG2      VAL  65   6.891 -10.733  -4.769
  516   2HG2  VAL  65          2HG2      VAL  65   5.957  -9.189  -4.433
  517   3HG2  VAL  65          3HG2      VAL  65   7.683  -9.224  -4.673
  518    H    ASP  66           H        ASP  66   7.625 -12.517  -0.985
  519    HA   ASP  66           HA       ASP  66   8.078 -14.808  -2.184
  520   1HB   ASP  66          1HB       ASP  66   7.375 -14.796   0.856
  521   2HB   ASP  66          2HB       ASP  66   8.368 -15.925  -0.008
  522    HD2  ASP  66           HD       ASP  66   9.720 -12.895   2.013
  523    H    GLU  67           H        GLU  67   4.958 -14.537  -0.242
  524    HA   GLU  67           HA       GLU  67   3.639 -16.956  -1.436
  525   1HB   GLU  67          1HB       GLU  67   2.433 -14.477  -0.157
  526   2HB   GLU  67          2HB       GLU  67   1.667 -16.039  -0.278
  527   1HG   GLU  67          1HG       GLU  67   4.069 -15.548   1.557
  528   2HG   GLU  67          2HG       GLU  67   2.443 -15.323   2.061
  529    HE2  GLU  67           HE       GLU  67   4.175 -18.940   2.076
  530    H    LEU  68           H        LEU  68   3.867 -13.604  -2.639
  531    HA   LEU  68           HA       LEU  68   1.786 -14.070  -4.756
  532   1HB   LEU  68          1HB       LEU  68   1.651 -11.816  -2.633
  533   2HB   LEU  68          2HB       LEU  68   0.734 -11.809  -4.132
  534    HG   LEU  68           HG       LEU  68   0.458 -13.839  -1.828
  535   1HD1  LEU  68          1HD1      LEU  68  -1.675 -12.516  -1.329
  536   2HD1  LEU  68          2HD1      LEU  68  -0.360 -11.560  -1.123
  537   3HD1  LEU  68          3HD1      LEU  68  -1.247 -11.246  -2.607
  538   1HD2  LEU  68          1HD2      LEU  68  -0.343 -14.728  -4.191
  539   2HD2  LEU  68          2HD2      LEU  68  -1.617 -14.634  -2.851
  540   3HD2  LEU  68          3HD2      LEU  68  -1.675 -13.423  -4.107
  541    H    LYS  69           H        LYS  69   3.875 -14.203  -5.586
  542    HA   LYS  69           HA       LYS  69   5.269 -11.647  -6.291
  543   1HB   LYS  69          1HB       LYS  69   7.095 -12.869  -7.372
  544   2HB   LYS  69          2HB       LYS  69   6.755 -13.330  -5.753
  545   1HG   LYS  69          1HG       LYS  69   5.807 -15.464  -6.039
  546   2HG   LYS  69          2HG       LYS  69   5.877 -15.257  -7.784
  547   1HD   LYS  69          1HD       LYS  69   8.385 -14.848  -7.621
  548   2HD   LYS  69          2HD       LYS  69   8.227 -15.007  -5.818
  549   1HE   LYS  69          1HE       LYS  69   7.613 -17.134  -7.862
  550   2HE   LYS  69          2HE       LYS  69   9.076 -17.040  -6.910
  551   1HZ   LYS  69          1HZ       LYS  69   7.740 -18.586  -5.940
  552   2HZ   LYS  69          2HZ       LYS  69   7.889 -17.242  -4.901
  553    H    ALA  70           H        ALA  70   3.304 -14.132  -7.942
  554    HA   ALA  70           HA       ALA  70   3.521 -12.933 -10.650
  555   1HB   ALA  70          1HB       ALA  70   1.463 -14.528 -11.134
  556   2HB   ALA  70          2HB       ALA  70   3.036 -15.239 -10.591
  557   3HB   ALA  70          3HB       ALA  70   1.611 -15.015  -9.493
  558    H    VAL  71           H        VAL  71   0.684 -12.644  -8.541
  559    HA   VAL  71           HA       VAL  71  -0.343 -10.439  -9.775
  560    HB   VAL  71           HB       VAL  71  -1.555 -11.909  -8.174
  561   1HG1  VAL  71          1HG1      VAL  71  -1.255 -11.740  -5.835
  562   2HG1  VAL  71          2HG1      VAL  71   0.445 -11.603  -6.380
  563   3HG1  VAL  71          3HG1      VAL  71  -0.399 -10.145  -5.809
  564   1HG2  VAL  71          1HG2      VAL  71  -2.904  -9.856  -7.077
  565   2HG2  VAL  71          2HG2      VAL  71  -1.608  -8.748  -7.738
  566   3HG2  VAL  71          3HG2      VAL  71  -2.617  -9.828  -8.758
  567    H    ALA  72           H        ALA  72   1.913 -10.089  -6.894
  568    HA   ALA  72           HA       ALA  72   1.968  -7.258  -7.021
  569   1HB   ALA  72          1HB       ALA  72   4.172  -7.177  -5.999
  570   2HB   ALA  72          2HB       ALA  72   3.283  -8.555  -5.291
  571   3HB   ALA  72          3HB       ALA  72   4.567  -8.819  -6.693
  572    H    GLU  73           H        GLU  73   3.845  -9.217  -8.879
  573    HA   GLU  73           HA       GLU  73   5.265  -7.396 -10.802
  574   1HB   GLU  73          1HB       GLU  73   4.429 -10.287 -11.316
  575   2HB   GLU  73          2HB       GLU  73   5.191  -9.303 -12.564
  576   1HG   GLU  73          1HG       GLU  73   7.181  -8.922 -11.204
  577   2HG   GLU  73          2HG       GLU  73   6.397  -9.826  -9.926
  578    HE2  GLU  73           HE       GLU  73   7.563 -11.976 -13.146
  579    H    GLU  74           H        GLU  74   1.964  -8.752 -11.054
  580    HA   GLU  74           HA       GLU  74   1.261  -7.576 -13.632
  581   1HB   GLU  74          1HB       GLU  74  -0.612  -8.737 -13.456
  582   2HB   GLU  74          2HB       GLU  74  -0.056  -9.521 -12.061
  583   1HG   GLU  74          1HG       GLU  74  -1.254  -8.293 -10.467
  584   2HG   GLU  74          2HG       GLU  74  -1.955  -7.200 -11.717
  585    HE2  GLU  74           HE       GLU  74  -3.776  -7.694 -12.087
  586    H    TRP  75           H        TRP  75   0.590  -6.400 -10.207
  587    HA   TRP  75           HA       TRP  75  -0.639  -3.886 -10.961
  588   1HB   TRP  75          1HB       TRP  75   0.816  -4.368  -8.446
  589   2HB   TRP  75          2HB       TRP  75  -0.167  -3.003  -8.582
  590    HD1  TRP  75           HD       TRP  75   0.075  -5.890  -6.809
  591    HE1  TRP  75           1HE      TRP  75  -2.097  -7.256  -6.186
  592    HE3  TRP  75           3HE      TRP  75  -2.883  -3.833 -10.106
  593    HZ2  TRP  75           2HZ      TRP  75  -4.404  -7.626  -7.434
  594    HZ3  TRP  75           3HZ      TRP  75  -5.083  -5.171 -10.903
  595    HH2  TRP  75           HH       TRP  75  -5.827  -6.951  -9.490
  596    H    ASN  76           H        ASN  76   2.603  -4.489  -9.936
  597    HA   ASN  76           HA       ASN  76   4.013  -4.277 -12.149
  598   1HB   ASN  76          1HB       ASN  76   2.909  -1.992 -12.866
  599   2HB   ASN  76          2HB       ASN  76   3.953  -1.254 -11.566
  600   1HD2  ASN  76          1HD2      ASN  76   5.975  -0.974 -12.165
  601   2HD2  ASN  76          2HD2      ASN  76   6.614  -1.321 -13.851
  602    H    VAL  77           H        VAL  77   5.204  -5.495 -10.569
  603    HA   VAL  77           HA       VAL  77   7.214  -4.101  -8.837
  604    HB   VAL  77           HB       VAL  77   5.531  -6.358  -7.549
  605   1HG1  VAL  77          1HG1      VAL  77   7.246  -4.051  -6.386
  606   2HG1  VAL  77          2HG1      VAL  77   6.572  -5.479  -5.500
  607   3HG1  VAL  77          3HG1      VAL  77   7.917  -5.665  -6.743
  608   1HG2  VAL  77          1HG2      VAL  77   4.998  -3.225  -7.028
  609   2HG2  VAL  77          2HG2      VAL  77   3.988  -4.292  -7.976
  610   3HG2  VAL  77          3HG2      VAL  77   4.199  -4.764  -6.337
  611    H    GLU  78           H        GLU  78   8.147  -4.694 -10.726
  612    HA   GLU  78           HA       GLU  78   9.507  -7.237 -10.472
  613   1HB   GLU  78          1HB       GLU  78  10.951  -6.680 -12.328
  614   2HB   GLU  78          2HB       GLU  78   9.429  -6.172 -12.841
  615   1HG   GLU  78          1HG       GLU  78  10.421  -4.264 -13.370
  616   2HG   GLU  78          2HG       GLU  78   9.968  -3.761 -11.824
  617    HE2  GLU  78           HE       GLU  78  12.565  -5.696 -11.749
  618    H    ALA  79           H        ALA  79   9.668  -4.638  -8.518
  619    HA   ALA  79           HA       ALA  79  12.331  -5.026  -7.396
  620   1HB   ALA  79          1HB       ALA  79  12.403  -2.426  -6.912
  621   2HB   ALA  79          2HB       ALA  79  12.496  -2.970  -8.730
  622   3HB   ALA  79          3HB       ALA  79  11.096  -2.314  -8.140
  623    H    MET  80           H        MET  80  12.713  -4.436  -5.522
  624    HA   MET  80           HA       MET  80  10.693  -4.444  -3.353
  625   1HB   MET  80          1HB       MET  80  13.356  -5.716  -3.432
  626   2HB   MET  80          2HB       MET  80  13.007  -4.861  -1.986
  627   1HG   MET  80          1HG       MET  80  12.334  -7.465  -2.089
  628   2HG   MET  80          2HG       MET  80  10.977  -6.407  -1.598
  629   1HE   MET  80          1HE       MET  80   8.568  -6.381  -4.634
  630   2HE   MET  80          2HE       MET  80   8.416  -7.245  -3.018
  631   3HE   MET  80          3HE       MET  80   9.035  -5.555  -3.221
  632    HA   PRO  81           HA       PRO  81   9.273  -3.007  -2.892
  633   1HB   PRO  81          1HB       PRO  81   9.086  -2.383  -0.395
  634   2HB   PRO  81          2HB       PRO  81  10.269  -3.565  -0.670
  635   1HG   PRO  81          2HG       PRO  81  10.748  -0.583   0.185
  636   2HG   PRO  81          1HG       PRO  81  11.741  -2.090   0.277
  637   1HD   PRO  81          1HD       PRO  81  11.790  -0.084  -1.756
  638   2HD   PRO  81          2HD       PRO  81  13.084  -1.328  -1.440
  639    H    THR  82           H        THR  82   7.833  -2.329  -3.166
  640    HA   THR  82           HA       THR  82   7.206   0.322  -4.308
  641    HB   THR  82           HB       THR  82   6.135  -2.158  -5.481
  642    HG1  THR  82           1HG      THR  82   8.309  -2.146  -6.189
  643   1HG2  THR  82          1HG2      THR  82   5.019   0.054  -6.061
  644   2HG2  THR  82          2HG2      THR  82   6.506   0.648  -6.674
  645   3HG2  THR  82          3HG2      THR  82   5.817  -0.877  -7.411
  646    H    PHE  83           H        PHE  83   5.542   1.287  -3.845
  647    HA   PHE  83           HA       PHE  83   3.143   0.636  -2.263
  648   1HB   PHE  83          1HB       PHE  83   4.412   3.523  -2.726
  649   2HB   PHE  83          2HB       PHE  83   3.024   3.248  -1.847
  650    HD1  PHE  83           1HD      PHE  83   6.595   3.124  -1.659
  651    HD2  PHE  83           2HD      PHE  83   3.017   1.721   0.475
  652    HE1  PHE  83           1HE      PHE  83   7.861   2.657   0.376
  653    HE2  PHE  83           2HE      PHE  83   4.350   1.488   2.527
  654    HZ   PHE  83           HZ       PHE  83   6.864   1.735   2.381
  655    H    ILE  84           H        ILE  84   1.745   0.476  -3.785
  656    HA   ILE  84           HA       ILE  84   1.400   2.010  -6.402
  657    HB   ILE  84           HB       ILE  84   0.814  -0.836  -5.512
  658   1HG1  ILE  84          1HG1      ILE  84   1.529  -0.043  -8.389
  659   2HG1  ILE  84          2HG1      ILE  84   2.664   0.562  -7.324
  660   1HG2  ILE  84          1HG2      ILE  84  -1.046   0.388  -7.533
  661   2HG2  ILE  84          2HG2      ILE  84  -0.714  -1.126  -7.551
  662   3HG2  ILE  84          3HG2      ILE  84  -1.524  -0.323  -6.142
  663   1HD1  ILE  84          1HD1      ILE  84   3.299  -1.554  -6.459
  664   2HD1  ILE  84          2HD1      ILE  84   2.049  -2.594  -7.169
  665   3HD1  ILE  84          3HD1      ILE  84   3.475  -1.724  -8.229
  666    H    PHE  85           H        PHE  85  -0.487   3.021  -6.721
  667    HA   PHE  85           HA       PHE  85  -2.060   3.882  -4.409
  668   1HB   PHE  85          1HB       PHE  85  -0.965   5.426  -6.664
  669   2HB   PHE  85          2HB       PHE  85  -2.300   6.097  -5.700
  670    HD1  PHE  85           1HD      PHE  85   1.333   4.974  -5.709
  671    HD2  PHE  85           2HD      PHE  85  -1.723   6.981  -3.367
  672    HE1  PHE  85           1HE      PHE  85   2.858   5.315  -3.697
  673    HE2  PHE  85           2HE      PHE  85   0.064   7.696  -1.864
  674    HZ   PHE  85           HZ       PHE  85   2.127   6.746  -1.795
  675    H    LEU  86           H        LEU  86  -4.084   3.044  -4.845
  676    HA   LEU  86           HA       LEU  86  -5.306   2.879  -7.649
  677   1HB   LEU  86          1HB       LEU  86  -4.334   0.582  -6.442
  678   2HB   LEU  86          2HB       LEU  86  -5.669   0.778  -5.398
  679    HG   LEU  86           HG       LEU  86  -6.238  -0.842  -7.065
  680   1HD1  LEU  86          1HD1      LEU  86  -8.197   0.087  -8.464
  681   2HD1  LEU  86          2HD1      LEU  86  -8.237   0.788  -6.811
  682   3HD1  LEU  86          3HD1      LEU  86  -7.630   1.739  -8.095
  683   1HD2  LEU  86          1HD2      LEU  86  -6.249  -0.226  -9.683
  684   2HD2  LEU  86          2HD2      LEU  86  -4.904   0.773  -9.123
  685   3HD2  LEU  86          3HD2      LEU  86  -4.857  -0.941  -8.775
  686    H    LYS  87           H        LYS  87  -6.814   4.308  -7.394
  687    HA   LYS  87           HA       LYS  87  -8.504   4.980  -5.021
  688   1HB   LYS  87          1HB       LYS  87  -7.198   6.851  -6.425
  689   2HB   LYS  87          2HB       LYS  87  -8.461   6.677  -7.496
  690   1HG   LYS  87          1HG       LYS  87 -10.008   7.395  -5.467
  691   2HG   LYS  87          2HG       LYS  87  -8.616   7.228  -4.499
  692   1HD   LYS  87          1HD       LYS  87  -7.560   9.108  -6.035
  693   2HD   LYS  87          2HD       LYS  87  -8.998   9.152  -6.867
  694   1HE   LYS  87          1HE       LYS  87 -10.374   9.519  -4.558
  695   2HE   LYS  87          2HE       LYS  87  -8.841   9.695  -3.746
  696   1HZ   LYS  87          1HZ       LYS  87  -9.542  11.453  -5.943
  697   2HZ   LYS  87          2HZ       LYS  87  -9.544  11.863  -4.326
  698    H    ASP  88           H        ASP  88 -11.028   4.815  -5.237
  699    HA   ASP  88           HA       ASP  88 -12.472   3.673  -7.168
  700   1HB   ASP  88          1HB       ASP  88 -14.312   5.112  -6.857
  701   2HB   ASP  88          2HB       ASP  88 -13.434   4.783  -5.373
  702    HD2  ASP  88           HD       ASP  88 -13.216   8.202  -5.069
  703    H    GLY  89           H        GLY  89 -10.500   4.092  -8.896
  704   1HA   GLY  89          1HA       GLY  89 -11.690   4.699 -11.465
  705   2HA   GLY  89          2HA       GLY  89 -10.754   6.094 -11.058
  706    H    LYS  90           H        LYS  90  -9.958   2.828 -10.265
  707    HA   LYS  90           HA       LYS  90  -8.385   1.351 -10.606
  708   1HB   LYS  90          1HB       LYS  90  -8.179   2.363 -13.511
  709   2HB   LYS  90          2HB       LYS  90  -7.438   0.820 -12.989
  710   1HG   LYS  90          1HG       LYS  90  -9.285   0.162 -14.270
  711   2HG   LYS  90          2HG       LYS  90  -9.292  -0.325 -12.604
  712   1HD   LYS  90          1HD       LYS  90 -11.112   1.073 -12.239
  713   2HD   LYS  90          2HD       LYS  90 -10.921   2.010 -13.750
  714   1HE   LYS  90          1HE       LYS  90 -11.659  -0.191 -14.976
  715   2HE   LYS  90          2HE       LYS  90 -11.785  -0.890 -13.355
  716   1HZ   LYS  90          1HZ       LYS  90 -13.588   0.622 -12.899
  717   2HZ   LYS  90          2HZ       LYS  90 -13.910   0.159 -14.379
  718    H    LEU  91           H        LEU  91  -5.817   1.515 -11.850
  719    HA   LEU  91           HA       LEU  91  -4.111   2.656  -9.825
  720   1HB   LEU  91          1HB       LEU  91  -3.730   0.920 -11.707
  721   2HB   LEU  91          2HB       LEU  91  -3.417   2.245 -12.772
  722    HG   LEU  91           HG       LEU  91  -1.648   3.028 -11.094
  723   1HD1  LEU  91          1HD1      LEU  91  -1.967   1.341  -9.203
  724   2HD1  LEU  91          2HD1      LEU  91  -1.726   0.109 -10.374
  725   3HD1  LEU  91          3HD1      LEU  91  -0.329   1.181  -9.988
  726   1HD2  LEU  91          1HD2      LEU  91   0.127   1.772 -12.358
  727   2HD2  LEU  91          2HD2      LEU  91  -1.189   0.621 -12.950
  728   3HD2  LEU  91          3HD2      LEU  91  -1.222   2.274 -13.338
  729    H    VAL  92           H        VAL  92  -4.506   4.687  -9.334
  730    HA   VAL  92           HA       VAL  92  -3.988   6.917 -11.111
  731    HB   VAL  92           HB       VAL  92  -4.151   8.417  -9.148
  732   1HG1  VAL  92          1HG1      VAL  92  -6.601   6.512  -9.189
  733   2HG1  VAL  92          2HG1      VAL  92  -6.643   8.034  -8.743
  734   3HG1  VAL  92          3HG1      VAL  92  -6.171   7.683 -10.386
  735   1HG2  VAL  92          1HG2      VAL  92  -4.485   6.038  -7.340
  736   2HG2  VAL  92          2HG2      VAL  92  -3.200   7.241  -7.346
  737   3HG2  VAL  92          3HG2      VAL  92  -4.869   7.860  -6.917
  738    H    ASP  93           H        ASP  93  -1.649   5.402  -8.826
  739    HA   ASP  93           HA       ASP  93   0.667   6.424 -10.422
  740   1HB   ASP  93          1HB       ASP  93  -0.240   8.480  -9.008
  741   2HB   ASP  93          2HB       ASP  93   0.444   7.623  -7.609
  742    HD2  ASP  93           HD       ASP  93   0.634   9.295 -10.512
  743    H    LYS  94           H        LYS  94   2.773   6.250  -8.983
  744    HA   LYS  94           HA       LYS  94   2.945   3.790  -7.369
  745   1HB   LYS  94          1HB       LYS  94   4.183   2.456  -9.116
  746   2HB   LYS  94          2HB       LYS  94   2.448   2.483  -9.064
  747   1HG   LYS  94          1HG       LYS  94   2.919   4.169 -11.079
  748   2HG   LYS  94          2HG       LYS  94   4.634   3.679 -10.918
  749   1HD   LYS  94          1HD       LYS  94   3.693   1.103 -11.021
  750   2HD   LYS  94          2HD       LYS  94   2.278   1.818 -11.558
  751   1HE   LYS  94          1HE       LYS  94   5.048   2.048 -12.873
  752   2HE   LYS  94          2HE       LYS  94   3.800   1.210 -13.596
  753   1HZ   LYS  94          1HZ       LYS  94   4.054   4.109 -13.607
  754   2HZ   LYS  94          2HZ       LYS  94   2.547   3.483 -13.779
  755    H    THR  95           H        THR  95   4.955   3.695  -6.528
  756    HA   THR  95           HA       THR  95   7.434   5.132  -7.270
  757    HB   THR  95           HB       THR  95   5.883   5.922  -4.780
  758    HG1  THR  95           1HG      THR  95   5.525   6.992  -6.891
  759   1HG2  THR  95          1HG2      THR  95   7.950   6.241  -3.864
  760   2HG2  THR  95          2HG2      THR  95   8.799   6.678  -5.372
  761   3HG2  THR  95          3HG2      THR  95   7.853   7.817  -4.554
  762    H    VAL  96           H        VAL  96   9.215   4.401  -6.056
  763    HA   VAL  96           HA       VAL  96   8.865   1.892  -4.363
  764    HB   VAL  96           HB       VAL  96   8.783   0.753  -6.492
  765   1HG1  VAL  96          1HG1      VAL  96  10.603   2.756  -7.755
  766   2HG1  VAL  96          2HG1      VAL  96  10.132   1.361  -8.509
  767   3HG1  VAL  96          3HG1      VAL  96   8.938   2.731  -8.141
  768   1HG2  VAL  96          1HG2      VAL  96  10.404  -0.333  -5.335
  769   2HG2  VAL  96          2HG2      VAL  96  10.821  -0.293  -6.978
  770   3HG2  VAL  96          3HG2      VAL  96  11.722   0.739  -6.012
  771    H    GLY  97           H        GLY  97   9.893   2.456  -2.622
  772   1HA   GLY  97          1HA       GLY  97  12.730   2.810  -2.492
  773   2HA   GLY  97          2HA       GLY  97  11.966   4.354  -2.343
  774    H    ALA  98           H        ALA  98  12.769   4.276  -0.344
  775    HA   ALA  98           HA       ALA  98  11.130   3.158   1.840
  776   1HB   ALA  98          1HB       ALA  98  13.862   1.809   1.410
  777   2HB   ALA  98          2HB       ALA  98  13.047   1.862   3.033
  778   3HB   ALA  98          3HB       ALA  98  12.385   1.082   1.587
  779    H    ASP  99           H        ASP  99  10.739   5.255   2.302
  780    HA   ASP  99           HA       ASP  99  13.031   6.855   3.470
  781   1HB   ASP  99          1HB       ASP  99  12.690   7.182   0.976
  782   2HB   ASP  99          2HB       ASP  99  11.272   7.997   1.238
  783    HD2  ASP  99           HD       ASP  99  14.823   9.820   1.695
  784    H    LYS 100           H        LYS 100  12.299   7.228   5.255
  785    HA   LYS 100           HA       LYS 100   9.891   7.307   6.685
  786   1HB   LYS 100          1HB       LYS 100  10.730   8.485   8.473
  787   2HB   LYS 100          2HB       LYS 100  11.764   7.081   7.956
  788   1HG   LYS 100          1HG       LYS 100  13.411   8.808   6.916
  789   2HG   LYS 100          2HG       LYS 100  12.245  10.199   7.362
  790   1HD   LYS 100          1HD       LYS 100  12.447   9.468   9.785
  791   2HD   LYS 100          2HD       LYS 100  13.520   8.235   9.355
  792   1HE   LYS 100          1HE       LYS 100  15.352   9.639   8.548
  793   2HE   LYS 100          2HE       LYS 100  14.276  11.100   8.987
  794   1HZ   LYS 100          1HZ       LYS 100  15.775  10.728  10.717
  795   2HZ   LYS 100          2HZ       LYS 100  14.240  10.233  11.234
  796    H    ASP 101           H        ASP 101  11.196  10.228   5.368
  797    HA   ASP 101           HA       ASP 101   8.787  11.864   5.980
  798   1HB   ASP 101          1HB       ASP 101  10.072  13.802   5.531
  799   2HB   ASP 101          2HB       ASP 101  11.141  12.642   6.231
  800    HD2  ASP 101           HD       ASP 101  11.634  14.214   2.551
  801    H    GLY 102           H        GLY 102  10.110  10.342   3.192
  802   1HA   GLY 102          1HA       GLY 102   8.796  11.795   1.028
  803   2HA   GLY 102          2HA       GLY 102   9.537  10.181   0.882
  804    H    LEU 103           H        LEU 103   8.127   8.627   2.409
  805    HA   LEU 103           HA       LEU 103   5.606   8.136   1.027
  806   1HB   LEU 103          1HB       LEU 103   6.846   6.386   2.000
  807   2HB   LEU 103          2HB       LEU 103   6.749   7.012   3.621
  808    HG   LEU 103           HG       LEU 103   4.410   6.622   3.704
  809   1HD1  LEU 103          1HD1      LEU 103   3.446   4.933   2.065
  810   2HD1  LEU 103          2HD1      LEU 103   3.615   6.558   1.261
  811   3HD1  LEU 103          3HD1      LEU 103   4.780   5.283   0.929
  812   1HD2  LEU 103          1HD2      LEU 103   4.450   4.299   4.042
  813   2HD2  LEU 103          2HD2      LEU 103   5.943   4.047   3.384
  814   3HD2  LEU 103          3HD2      LEU 103   5.753   5.022   4.816
  815    HA   PRO 104           HA       PRO 104   2.857  10.616   4.376
  816   1HB   PRO 104          1HB       PRO 104   5.093  12.301   5.543
  817   2HB   PRO 104          2HB       PRO 104   3.439  11.894   6.187
  818   1HG   PRO 104          1HG       PRO 104   5.590  10.529   7.093
  819   2HG   PRO 104          2HG       PRO 104   4.012   9.708   6.575
  820   1HD   PRO 104          1HD       PRO 104   6.600   9.698   4.927
  821   2HD   PRO 104          2HD       PRO 104   5.445   8.396   5.316
  822    H    THR 105           H        THR 105   5.667  12.078   2.772
  823    HA   THR 105           HA       THR 105   4.223  14.612   1.937
  824    HB   THR 105           HB       THR 105   6.815  13.622   0.662
  825    HG1  THR 105           1HG      THR 105   6.708  14.078   2.939
  826   1HG2  THR 105          1HG2      THR 105   5.930  15.442  -0.692
  827   2HG2  THR 105          2HG2      THR 105   5.454  16.493   0.693
  828   3HG2  THR 105          3HG2      THR 105   7.163  16.147   0.318
  829    H    LEU 106           H        LEU 106   5.250  11.950   0.067
  830    HA   LEU 106           HA       LEU 106   3.746  12.161  -2.353
  831   1HB   LEU 106          1HB       LEU 106   5.470  10.734  -2.050
  832   2HB   LEU 106          2HB       LEU 106   4.514   9.848  -0.762
  833    HG   LEU 106           HG       LEU 106   3.067   8.767  -2.170
  834   1HD1  LEU 106          1HD1      LEU 106   3.081   8.879  -4.717
  835   2HD1  LEU 106          2HD1      LEU 106   2.915  10.622  -4.048
  836   3HD1  LEU 106          3HD1      LEU 106   4.486   9.897  -4.654
  837   1HD2  LEU 106          1HD2      LEU 106   4.412   7.200  -3.428
  838   2HD2  LEU 106          2HD2      LEU 106   5.798   8.270  -3.275
  839   3HD2  LEU 106          3HD2      LEU 106   5.064   7.625  -1.683
  840    H    VAL 107           H        VAL 107   2.540  10.501   0.597
  841    HA   VAL 107           HA       VAL 107  -0.222   9.867  -0.342
  842    HB   VAL 107           HB       VAL 107   1.020   9.711   2.371
  843   1HG1  VAL 107          1HG1      VAL 107  -1.559  10.069   2.669
  844   2HG1  VAL 107          2HG1      VAL 107  -1.806   8.530   1.740
  845   3HG1  VAL 107          3HG1      VAL 107  -0.993   8.568   3.187
  846   1HG2  VAL 107          1HG2      VAL 107   0.684   7.228   1.956
  847   2HG2  VAL 107          2HG2      VAL 107   0.202   7.678   0.252
  848   3HG2  VAL 107          3HG2      VAL 107   1.852   8.216   1.006
  849    H    ALA 108           H        ALA 108   1.079  12.528   1.667
  850    HA   ALA 108           HA       ALA 108  -1.423  13.892   2.188
  851   1HB   ALA 108          1HB       ALA 108  -0.081  15.954   2.367
  852   2HB   ALA 108          2HB       ALA 108   0.340  14.683   3.520
  853   3HB   ALA 108          3HB       ALA 108   1.428  14.856   2.109
  854    H    LYS 109           H        LYS 109   0.761  14.534  -0.372
  855    HA   LYS 109           HA       LYS 109  -0.871  16.268  -2.040
  856   1HB   LYS 109          1HB       LYS 109   1.460  14.188  -2.776
  857   2HB   LYS 109          2HB       LYS 109   0.754  15.274  -3.986
  858   1HG   LYS 109          1HG       LYS 109   1.457  17.278  -2.726
  859   2HG   LYS 109          2HG       LYS 109   2.109  16.312  -1.497
  860   1HD   LYS 109          1HD       LYS 109   3.438  15.122  -3.197
  861   2HD   LYS 109          2HD       LYS 109   2.925  15.956  -4.522
  862   1HE   LYS 109          1HE       LYS 109   3.870  18.169  -3.091
  863   2HE   LYS 109          2HE       LYS 109   4.638  16.998  -2.118
  864   1HZ   LYS 109          1HZ       LYS 109   5.608  16.032  -4.172
  865   2HZ   LYS 109          2HZ       LYS 109   4.947  17.205  -5.038
  866    H    HIS 110           H        HIS 110  -0.879  12.597  -1.996
  867    HA   HIS 110           HA       HIS 110  -2.805  12.340  -4.210
  868   1HB   HIS 110          1HB       HIS 110  -1.540  10.246  -2.209
  869   2HB   HIS 110          2HB       HIS 110  -3.017   9.997  -2.860
  870    HD1  HIS 110           1HD      HIS 110  -3.207   9.457  -5.636
  871    HD2  HIS 110           2HD      HIS 110   0.694  10.512  -4.229
  872    HE1  HIS 110           1HE      HIS 110  -1.576   9.385  -7.412
  873    H    ALA 111           H        ALA 111  -3.207  11.942  -0.682
  874    HA   ALA 111           HA       ALA 111  -6.142  11.799  -0.673
  875   1HB   ALA 111          1HB       ALA 111  -5.653  12.422   1.829
  876   2HB   ALA 111          2HB       ALA 111  -4.631  11.154   1.219
  877   3HB   ALA 111          3HB       ALA 111  -4.008  12.797   1.419
  878    H    THR 112           H        THR 112  -4.125  14.722  -0.339
  879    HA   THR 112           HA       THR 112  -6.239  16.745  -0.204
  880    HB   THR 112           HB       THR 112  -3.418  17.234  -1.351
  881    HG1  THR 112           1HG      THR 112  -3.024  16.451   0.714
  882   1HG2  THR 112          1HG2      THR 112  -4.487  19.310  -1.620
  883   2HG2  THR 112          2HG2      THR 112  -5.417  19.088  -0.057
  884   3HG2  THR 112          3HG2      THR 112  -3.647  19.359  -0.028
  885    H    ALA 113           H        ALA 113  -4.425  15.569  -3.000
  886    HA   ALA 113           HA       ALA 113  -5.978  16.949  -5.034
  887   1HB   ALA 113          1HB       ALA 113  -4.224  14.332  -5.131
  888   2HB   ALA 113          2HB       ALA 113  -4.895  14.986  -6.636
  889   3HB   ALA 113          3HB       ALA 113  -3.783  16.005  -5.641
  890    HXT  ALA 113           HO       ALA 113  -8.972  15.310  -5.318
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1 -12.293  12.448  16.333
    2   2H    ALA   1          2H        ALA   1 -12.109  11.703  17.869
    3    HA   ALA   1           HA       ALA   1 -10.299  10.318  16.821
    4   1HB   ALA   1          1HB       ALA   1 -11.749   8.759  15.636
    5   2HB   ALA   1          2HB       ALA   1 -12.344   9.156  17.270
    6   3HB   ALA   1          3HB       ALA   1 -13.075   9.892  15.866
    7    H    GLU   2           H        GLU   2  -8.914  10.276  15.378
    8    HA   GLU   2           HA       GLU   2  -9.369  11.075  12.574
    9   1HB   GLU   2          1HB       GLU   2  -8.469  12.898  14.027
   10   2HB   GLU   2          2HB       GLU   2  -7.183  11.906  14.459
   11   1HG   GLU   2          1HG       GLU   2  -6.719  11.924  11.669
   12   2HG   GLU   2          2HG       GLU   2  -7.656  13.359  11.772
   13    HE2  GLU   2           HE       GLU   2  -3.844  13.587  12.625
   14    H    GLU   3           H        GLU   3  -9.124   8.733  11.872
   15    HA   GLU   3           HA       GLU   3  -6.415   7.755  11.476
   16   1HB   GLU   3          1HB       GLU   3  -6.036   5.939  12.951
   17   2HB   GLU   3          2HB       GLU   3  -6.272   7.312  13.909
   18   1HG   GLU   3          1HG       GLU   3  -8.453   5.084  13.493
   19   2HG   GLU   3          2HG       GLU   3  -7.265   5.056  14.798
   20    HE2  GLU   3           HE       GLU   3 -10.695   6.602  15.618
   21    H    GLY   4           H        GLY   4  -6.032   5.658  10.841
   22   1HA   GLY   4          1HA       GLY   4  -8.093   4.419   9.097
   23   2HA   GLY   4          2HA       GLY   4  -6.543   5.036   8.335
   24    H    GLN   5           H        GLN   5  -6.078   2.650   8.055
   25    HA   GLN   5           HA       GLN   5  -4.994   1.150  10.455
   26   1HB   GLN   5          1HB       GLN   5  -6.483  -0.673  10.165
   27   2HB   GLN   5          2HB       GLN   5  -7.431   0.612  10.501
   28   1HG   GLN   5          1HG       GLN   5  -6.991  -0.216   7.495
   29   2HG   GLN   5          2HG       GLN   5  -7.897  -1.366   8.432
   30   1HE2  GLN   5          1HE2      GLN   5 -10.126  -0.460   9.241
   31   2HE2  GLN   5          2HE2      GLN   5 -10.862   1.014   8.402
   32    H    VAL   6           H        VAL   6  -3.832  -0.387  10.030
   33    HA   VAL   6           HA       VAL   6  -2.755  -1.105   7.295
   34    HB   VAL   6           HB       VAL   6  -1.296  -0.782  10.013
   35   1HG1  VAL   6          1HG1      VAL   6   0.862  -1.164   8.566
   36   2HG1  VAL   6          2HG1      VAL   6  -0.116  -2.596   8.604
   37   3HG1  VAL   6          3HG1      VAL   6  -0.226  -1.532   7.073
   38   1HG2  VAL   6          1HG2      VAL   6  -1.012   0.983   7.406
   39   2HG2  VAL   6          2HG2      VAL   6  -1.664   1.471   9.014
   40   3HG2  VAL   6          3HG2      VAL   6   0.042   1.026   8.788
   41    H    ILE   7           H        ILE   7  -3.220  -2.882   6.925
   42    HA   ILE   7           HA       ILE   7  -3.583  -5.157   8.914
   43    HB   ILE   7           HB       ILE   7  -5.585  -3.919   7.747
   44   1HG1  ILE   7          1HG1      ILE   7  -6.361  -5.867   8.738
   45   2HG1  ILE   7          2HG1      ILE   7  -6.935  -5.738   7.124
   46   1HG2  ILE   7          1HG2      ILE   7  -4.478  -3.860   5.389
   47   2HG2  ILE   7          2HG2      ILE   7  -5.050  -5.502   5.061
   48   3HG2  ILE   7          3HG2      ILE   7  -6.234  -4.283   5.460
   49   1HD1  ILE   7          1HD1      ILE   7  -6.324  -7.884   6.758
   50   2HD1  ILE   7          2HD1      ILE   7  -4.754  -7.288   6.452
   51   3HD1  ILE   7          3HD1      ILE   7  -5.068  -7.883   8.128
   52    H    ALA   8           H        ALA   8  -2.695  -6.879   8.527
   53    HA   ALA   8           HA       ALA   8  -0.531  -7.499   6.654
   54   1HB   ALA   8          1HB       ALA   8   0.018  -9.314   8.136
   55   2HB   ALA   8          2HB       ALA   8  -0.246  -7.932   9.068
   56   3HB   ALA   8          3HB       ALA   8  -1.614  -9.164   8.994
   57    H    CYS   9           H        CYS   9  -0.695  -8.366   4.790
   58    HA   CYS   9           HA       CYS   9  -2.893 -10.165   3.752
   59   1HB   CYS   9          1HB       CYS   9  -1.154  -8.013   2.433
   60   2HB   CYS   9          2HB       CYS   9  -2.384  -8.951   1.645
   61    HG   CYS   9           HG       CYS   9  -2.962  -6.986   4.267
   62    H    HIS  10           H        HIS  10  -2.365 -11.874   2.814
   63    HA   HIS  10           HA       HIS  10   0.407 -12.757   2.147
   64   1HB   HIS  10          1HB       HIS  10  -1.438 -13.772   4.355
   65   2HB   HIS  10          2HB       HIS  10  -0.531 -14.963   3.797
   66    HD1  HIS  10           1HD      HIS  10   2.159 -14.872   3.781
   67    HD2  HIS  10           2HD      HIS  10  -0.126 -12.263   6.289
   68    HE1  HIS  10           1HE      HIS  10   3.630 -14.004   5.854
   69    H    THR  11           H        THR  11  -2.777 -13.112   1.105
   70    HA   THR  11           HA       THR  11  -2.359 -15.566  -0.606
   71    HB   THR  11           HB       THR  11  -4.111 -16.807   0.292
   72    HG1  THR  11           1HG      THR  11  -5.038 -16.140   2.355
   73   1HG2  THR  11          1HG2      THR  11  -2.124 -17.334   1.340
   74   2HG2  THR  11          2HG2      THR  11  -2.346 -16.044   2.571
   75   3HG2  THR  11          3HG2      THR  11  -3.349 -17.436   2.682
   76    H    VAL  12           H        VAL  12  -4.931 -16.096  -1.192
   77    HA   VAL  12           HA       VAL  12  -5.614 -14.015  -3.065
   78    HB   VAL  12           HB       VAL  12  -6.080 -16.370  -3.679
   79   1HG1  VAL  12          1HG1      VAL  12  -8.467 -16.555  -1.803
   80   2HG1  VAL  12          2HG1      VAL  12  -7.686 -17.813  -2.722
   81   3HG1  VAL  12          3HG1      VAL  12  -6.866 -17.148  -1.268
   82   1HG2  VAL  12          1HG2      VAL  12  -7.396 -14.541  -4.813
   83   2HG2  VAL  12          2HG2      VAL  12  -8.178 -16.114  -4.847
   84   3HG2  VAL  12          3HG2      VAL  12  -8.712 -14.852  -3.751
   85    H    ASP  13           H        ASP  13  -6.288 -14.389   0.094
   86    HA   ASP  13           HA       ASP  13  -8.882 -13.059   0.582
   87   1HB   ASP  13          1HB       ASP  13  -6.427 -13.613   2.358
   88   2HB   ASP  13          2HB       ASP  13  -7.804 -12.680   2.994
   89    HD2  ASP  13           HD       ASP  13  -6.751 -15.656   2.176
   90    H    THR  14           H        THR  14  -5.565 -11.719   0.489
   91    HA   THR  14           HA       THR  14  -6.253  -9.008   0.461
   92    HB   THR  14           HB       THR  14  -3.945 -10.140   0.689
   93    HG1  THR  14           1HG      THR  14  -3.919  -7.666  -0.596
   94   1HG2  THR  14          1HG2      THR  14  -3.720 -10.774  -1.695
   95   2HG2  THR  14          2HG2      THR  14  -3.810  -8.965  -2.127
   96   3HG2  THR  14          3HG2      THR  14  -2.456  -9.578  -1.155
   97    H    TRP  15           H        TRP  15  -6.479 -11.161  -2.160
   98    HA   TRP  15           HA       TRP  15  -6.898  -9.256  -4.403
   99   1HB   TRP  15          1HB       TRP  15  -7.461 -12.203  -4.128
  100   2HB   TRP  15          2HB       TRP  15  -8.429 -11.440  -5.236
  101    HD1  TRP  15           HD       TRP  15  -4.503 -11.970  -4.411
  102    HE1  TRP  15           1HE      TRP  15  -2.984 -11.843  -6.790
  103    HE3  TRP  15           3HE      TRP  15  -8.311 -10.638  -7.617
  104    HZ2  TRP  15           2HZ      TRP  15  -3.662 -11.183  -9.260
  105    HZ3  TRP  15           3HZ      TRP  15  -7.723 -10.006  -9.926
  106    HH2  TRP  15           HH       TRP  15  -5.373 -10.138 -10.746
  107    H    LYS  16           H        LYS  16  -9.166 -10.921  -2.349
  108    HA   LYS  16           HA       LYS  16 -11.738  -9.502  -2.938
  109   1HB   LYS  16          1HB       LYS  16 -10.629 -11.001  -0.537
  110   2HB   LYS  16          2HB       LYS  16 -12.300 -10.513  -0.693
  111   1HG   LYS  16          1HG       LYS  16 -12.446 -11.662  -2.838
  112   2HG   LYS  16          2HG       LYS  16 -10.890 -12.591  -2.443
  113   1HD   LYS  16          1HD       LYS  16 -13.460 -12.923  -0.742
  114   2HD   LYS  16          2HD       LYS  16 -12.925 -13.986  -1.936
  115   1HE   LYS  16          1HE       LYS  16 -10.728 -14.388  -0.687
  116   2HE   LYS  16          2HE       LYS  16 -11.097 -13.133   0.406
  117   1HZ   LYS  16          1HZ       LYS  16 -11.929 -15.861   0.413
  118   2HZ   LYS  16          2HZ       LYS  16 -11.876 -14.735   1.657
  119    H    GLU  17           H        GLU  17  -9.099  -8.736  -0.559
  120    HA   GLU  17           HA       GLU  17 -10.411  -6.249   0.413
  121   1HB   GLU  17          1HB       GLU  17  -7.425  -7.187   0.759
  122   2HB   GLU  17          2HB       GLU  17  -7.919  -5.646   1.262
  123   1HG   GLU  17          1HG       GLU  17  -9.659  -6.848   2.881
  124   2HG   GLU  17          2HG       GLU  17  -8.930  -8.268   2.253
  125    HE2  GLU  17           HE       GLU  17  -6.349  -8.251   4.359
  126    H    HIS  18           H        HIS  18  -7.499  -6.549  -1.801
  127    HA   HIS  18           HA       HIS  18  -7.290  -3.703  -2.207
  128   1HB   HIS  18          1HB       HIS  18  -5.422  -5.389  -2.402
  129   2HB   HIS  18          2HB       HIS  18  -6.326  -6.177  -3.767
  130    HD1  HIS  18           1HD      HIS  18  -5.942  -5.324  -6.150
  131    HD2  HIS  18           2HD      HIS  18  -4.340  -2.731  -3.175
  132    HE1  HIS  18           1HE      HIS  18  -4.628  -3.435  -7.292
  133    H    PHE  19           H        PHE  19  -8.466  -5.987  -4.304
  134    HA   PHE  19           HA       PHE  19  -9.421  -4.080  -6.334
  135   1HB   PHE  19          1HB       PHE  19  -8.850  -6.840  -6.517
  136   2HB   PHE  19          2HB       PHE  19 -10.610  -6.937  -6.529
  137    HD1  PHE  19           1HD      PHE  19 -11.929  -5.784  -8.523
  138    HD2  PHE  19           2HD      PHE  19  -7.570  -6.092  -8.505
  139    HE1  PHE  19           1HE      PHE  19 -11.844  -5.915 -10.932
  140    HE2  PHE  19           2HE      PHE  19  -7.677  -5.953 -10.975
  141    HZ   PHE  19           HZ       PHE  19  -9.784  -6.054 -12.157
  142    H    GLU  20           H        GLU  20 -11.142  -5.786  -3.972
  143    HA   GLU  20           HA       GLU  20 -13.787  -4.741  -4.872
  144   1HB   GLU  20          1HB       GLU  20 -13.814  -6.297  -2.335
  145   2HB   GLU  20          2HB       GLU  20 -15.136  -5.799  -3.306
  146   1HG   GLU  20          1HG       GLU  20 -13.046  -7.924  -4.186
  147   2HG   GLU  20          2HG       GLU  20 -14.213  -8.438  -3.135
  148    HE2  GLU  20           HE       GLU  20 -14.990  -7.116  -6.888
  149    H    LYS  21           H        LYS  21 -11.768  -4.002  -2.114
  150    HA   LYS  21           HA       LYS  21 -13.426  -1.636  -1.372
  151   1HB   LYS  21          1HB       LYS  21 -10.467  -2.051  -0.715
  152   2HB   LYS  21          2HB       LYS  21 -11.429  -0.977   0.050
  153   1HG   LYS  21          1HG       LYS  21 -12.074  -3.936   0.191
  154   2HG   LYS  21          2HG       LYS  21 -11.027  -3.105   1.350
  155   1HD   LYS  21          1HD       LYS  21 -13.212  -1.459   1.690
  156   2HD   LYS  21          2HD       LYS  21 -13.951  -2.701   0.720
  157   1HE   LYS  21          1HE       LYS  21 -14.773  -3.355   2.812
  158   2HE   LYS  21          2HE       LYS  21 -13.670  -4.617   2.172
  159   1HZ   LYS  21          1HZ       LYS  21 -12.545  -2.534   4.016
  160   2HZ   LYS  21          2HZ       LYS  21 -13.154  -4.012   4.489
  161    H    GLY  22           H        GLY  22 -10.518  -1.727  -3.157
  162   1HA   GLY  22          1HA       GLY  22 -10.172   1.114  -3.927
  163   2HA   GLY  22          2HA       GLY  22  -9.814  -0.253  -4.921
  164    H    LYS  23           H        LYS  23 -11.531  -1.229  -6.143
  165    HA   LYS  23           HA       LYS  23 -13.668   0.542  -7.450
  166   1HB   LYS  23          1HB       LYS  23 -12.221  -0.939  -8.839
  167   2HB   LYS  23          2HB       LYS  23 -12.971  -2.263  -8.083
  168   1HG   LYS  23          1HG       LYS  23 -15.265  -0.772  -8.829
  169   2HG   LYS  23          2HG       LYS  23 -14.149  -0.452 -10.133
  170   1HD   LYS  23          1HD       LYS  23 -14.912  -3.222  -8.998
  171   2HD   LYS  23          2HD       LYS  23 -15.823  -2.418 -10.208
  172   1HE   LYS  23          1HE       LYS  23 -12.935  -3.336 -10.282
  173   2HE   LYS  23          2HE       LYS  23 -14.228  -4.341 -11.007
  174   1HZ   LYS  23          1HZ       LYS  23 -14.584  -2.329 -12.415
  175   2HZ   LYS  23          2HZ       LYS  23 -13.471  -1.624 -11.849
  176    H    GLY  24           H        GLY  24 -14.792   0.801  -5.748
  177   1HA   GLY  24          1HA       GLY  24 -17.071  -0.615  -5.445
  178   2HA   GLY  24          2HA       GLY  24 -16.141  -1.348  -4.182
  179    H    SER  25           H        SER  25 -14.929   1.256  -3.693
  180    HA   SER  25           HA       SER  25 -16.845   2.493  -1.734
  181   1HB   SER  25          1HB       SER  25 -13.944   1.788  -0.989
  182   2HB   SER  25          2HB       SER  25 -15.195   2.634  -0.028
  183    HG   SER  25           HG       SER  25 -15.010   0.497   0.468
  184    H    GLN  26           H        GLN  26 -16.886   4.594  -1.918
  185    HA   GLN  26           HA       GLN  26 -15.140   6.418  -3.301
  186   1HB   GLN  26          1HB       GLN  26 -17.278   6.785  -1.094
  187   2HB   GLN  26          2HB       GLN  26 -16.300   8.085  -1.929
  188   1HG   GLN  26          1HG       GLN  26 -18.282   8.116  -2.971
  189   2HG   GLN  26          2HG       GLN  26 -17.238   7.428  -4.221
  190   1HE2  GLN  26          1HE2      GLN  26 -17.864   5.330  -4.897
  191   2HE2  GLN  26          2HE2      GLN  26 -19.473   4.545  -4.367
  192    H    LYS  27           H        LYS  27 -13.005   5.403  -2.421
  193    HA   LYS  27           HA       LYS  27 -11.667   7.254  -0.593
  194   1HB   LYS  27          1HB       LYS  27 -10.639   5.642   0.729
  195   2HB   LYS  27          2HB       LYS  27 -12.395   5.886   1.055
  196   1HG   LYS  27          1HG       LYS  27 -13.059   3.744   0.170
  197   2HG   LYS  27          2HG       LYS  27 -11.455   3.306  -0.340
  198   1HD   LYS  27          1HD       LYS  27 -12.152   2.027   1.840
  199   2HD   LYS  27          2HD       LYS  27 -10.792   3.064   2.075
  200   1HE   LYS  27          1HE       LYS  27 -12.036   4.811   3.217
  201   2HE   LYS  27          2HE       LYS  27 -13.656   3.981   3.006
  202   1HZ   LYS  27          1HZ       LYS  27 -11.654   3.264   5.040
  203   2HZ   LYS  27          2HZ       LYS  27 -13.228   2.772   4.876
  204    H    LEU  28           H        LEU  28  -9.506   6.587  -0.467
  205    HA   LEU  28           HA       LEU  28  -8.121   5.677  -2.939
  206   1HB   LEU  28          1HB       LEU  28  -7.535   7.880  -2.290
  207   2HB   LEU  28          2HB       LEU  28  -7.102   7.514  -0.629
  208    HG   LEU  28           HG       LEU  28  -5.038   6.105  -1.675
  209   1HD1  LEU  28          1HD1      LEU  28  -5.742   5.406  -3.774
  210   2HD1  LEU  28          2HD1      LEU  28  -6.021   7.209  -4.126
  211   3HD1  LEU  28          3HD1      LEU  28  -4.407   6.524  -3.851
  212   1HD2  LEU  28          1HD2      LEU  28  -5.115   8.978  -2.575
  213   2HD2  LEU  28          2HD2      LEU  28  -5.089   8.927  -0.882
  214   3HD2  LEU  28          3HD2      LEU  28  -3.795   8.294  -1.978
  215    H    ILE  29           H        ILE  29  -6.728   3.889  -2.624
  216    HA   ILE  29           HA       ILE  29  -6.589   2.415  -0.054
  217    HB   ILE  29           HB       ILE  29  -7.449   0.402  -0.469
  218   1HG1  ILE  29          1HG1      ILE  29  -8.649  -0.226  -2.627
  219   2HG1  ILE  29          2HG1      ILE  29  -7.690   0.968  -3.461
  220   1HG2  ILE  29          1HG2      ILE  29  -9.798   0.793  -0.951
  221   2HG2  ILE  29          2HG2      ILE  29  -9.144   2.046   0.062
  222   3HG2  ILE  29          3HG2      ILE  29  -9.364   2.345  -1.642
  223   1HD1  ILE  29          1HD1      ILE  29  -5.640  -0.502  -2.687
  224   2HD1  ILE  29          2HD1      ILE  29  -6.802  -1.594  -2.062
  225   3HD1  ILE  29          3HD1      ILE  29  -6.941  -1.210  -3.732
  226    H    VAL  30           H        VAL  30  -4.677   1.465   0.030
  227    HA   VAL  30           HA       VAL  30  -2.570   1.777  -2.072
  228    HB   VAL  30           HB       VAL  30  -2.144   2.745   0.807
  229   1HG1  VAL  30          1HG1      VAL  30   0.119   2.456   0.007
  230   2HG1  VAL  30          2HG1      VAL  30  -0.426   2.893  -1.663
  231   3HG1  VAL  30          3HG1      VAL  30  -0.160   4.151  -0.398
  232   1HG2  VAL  30          1HG2      VAL  30  -2.206   5.189  -0.522
  233   2HG2  VAL  30          2HG2      VAL  30  -3.133   4.212  -1.723
  234   3HG2  VAL  30          3HG2      VAL  30  -3.691   4.375   0.041
  235    H    VAL  31           H        VAL  31  -0.586   0.663  -1.609
  236    HA   VAL  31           HA       VAL  31  -0.460  -1.527   0.301
  237    HB   VAL  31           HB       VAL  31  -1.994  -2.807  -1.126
  238   1HG1  VAL  31          1HG1      VAL  31  -0.382  -2.083  -3.473
  239   2HG1  VAL  31          2HG1      VAL  31  -1.721  -3.352  -3.514
  240   3HG1  VAL  31          3HG1      VAL  31  -1.942  -1.629  -3.125
  241   1HG2  VAL  31          1HG2      VAL  31  -0.805  -4.815  -1.616
  242   2HG2  VAL  31          2HG2      VAL  31   0.677  -4.061  -1.797
  243   3HG2  VAL  31          3HG2      VAL  31  -0.171  -4.175  -0.164
  244    H    ASP  32           H        ASP  32   1.313  -1.867   0.779
  245    HA   ASP  32           HA       ASP  32   3.735  -1.308  -0.831
  246   1HB   ASP  32          1HB       ASP  32   3.355  -0.709   1.900
  247   2HB   ASP  32          2HB       ASP  32   3.694  -2.421   2.059
  248    HD2  ASP  32           HD       ASP  32   7.006  -1.876   0.404
  249    H    PHE  33           H        PHE  33   4.366  -2.970  -2.167
  250    HA   PHE  33           HA       PHE  33   4.032  -5.914  -1.643
  251   1HB   PHE  33          1HB       PHE  33   4.884  -4.403  -4.249
  252   2HB   PHE  33          2HB       PHE  33   4.939  -6.045  -3.879
  253    HD1  PHE  33           1HD      PHE  33   2.858  -7.559  -3.536
  254    HD2  PHE  33           2HD      PHE  33   2.490  -3.413  -4.662
  255    HE1  PHE  33           1HE      PHE  33   0.594  -7.911  -4.364
  256    HE2  PHE  33           2HE      PHE  33   0.129  -3.644  -5.176
  257    HZ   PHE  33           HZ       PHE  33  -0.811  -6.013  -5.135
  258    H    THR  34           H        THR  34   5.736  -6.658  -0.382
  259    HA   THR  34           HA       THR  34   8.454  -5.600  -0.559
  260    HB   THR  34           HB       THR  34   7.408  -3.729   0.663
  261    HG1  THR  34           1HG      THR  34   8.844  -5.047   2.559
  262   1HG2  THR  34          1HG2      THR  34   6.859  -5.447   3.192
  263   2HG2  THR  34          2HG2      THR  34   6.369  -3.806   2.812
  264   3HG2  THR  34          3HG2      THR  34   5.636  -5.017   1.944
  265    H    ALA  35           H        ALA  35   9.691  -6.907   0.370
  266    HA   ALA  35           HA       ALA  35   8.895  -9.719   0.975
  267   1HB   ALA  35          1HB       ALA  35  11.526  -9.707   1.044
  268   2HB   ALA  35          2HB       ALA  35  10.750  -9.396  -0.462
  269   3HB   ALA  35          3HB       ALA  35  11.492  -8.039   0.637
  270    H    SER  36           H        SER  36   9.186 -10.975   2.796
  271    HA   SER  36           HA       SER  36   9.441  -9.894   5.469
  272   1HB   SER  36          1HB       SER  36   8.395 -12.156   5.006
  273   2HB   SER  36          2HB       SER  36  10.084 -12.722   4.442
  274    HG   SER  36           HG       SER  36   9.229 -11.939   7.162
  275    H    TRP  37           H        TRP  37  11.688 -11.128   3.378
  276    HA   TRP  37           HA       TRP  37  14.276 -10.479   4.835
  277   1HB   TRP  37          1HB       TRP  37  15.431 -10.852   2.582
  278   2HB   TRP  37          2HB       TRP  37  14.488 -12.205   3.276
  279    HD1  TRP  37           HD       TRP  37  12.521 -13.358   1.854
  280    HE1  TRP  37           1HE      TRP  37  11.831 -13.274  -0.494
  281    HE3  TRP  37           3HE      TRP  37  15.744  -9.437   0.437
  282    HZ2  TRP  37           2HZ      TRP  37  12.779 -11.840  -2.825
  283    HZ3  TRP  37           3HZ      TRP  37  16.256  -9.409  -1.913
  284    HH2  TRP  37           HH       TRP  37  14.683 -10.375  -3.531
  285    H    CYS  38           H        CYS  38  12.859  -8.444   5.186
  286    HA   CYS  38           HA       CYS  38  14.214  -6.200   3.816
  287   1HB   CYS  38          1HB       CYS  38  11.987  -6.679   2.624
  288   2HB   CYS  38          2HB       CYS  38  11.187  -6.148   4.079
  289    HG   CYS  38           HG       CYS  38  12.129  -4.201   1.885
  290    HA   PRO  39           HA       PRO  39  14.347  -4.888   8.506
  291   1HB   PRO  39          1HB       PRO  39  16.893  -3.832   7.576
  292   2HB   PRO  39          2HB       PRO  39  16.552  -4.967   8.916
  293   1HG   PRO  39          1HG       PRO  39  17.814  -5.783   6.504
  294   2HG   PRO  39          2HG       PRO  39  16.980  -6.842   7.670
  295   1HD   PRO  39          1HD       PRO  39  16.169  -5.865   4.977
  296   2HD   PRO  39          2HD       PRO  39  15.625  -7.258   5.938
  297    HA   PRO  40           HA       PRO  40  14.545  -0.362   6.545
  298   1HB   PRO  40          1HB       PRO  40  14.152  -1.167   3.658
  299   2HB   PRO  40          2HB       PRO  40  14.979   0.311   4.337
  300   1HG   PRO  40          1HG       PRO  40  16.409  -1.684   3.290
  301   2HG   PRO  40          2HG       PRO  40  16.900  -0.840   4.875
  302   1HD   PRO  40          1HD       PRO  40  15.478  -3.548   4.612
  303   2HD   PRO  40          2HD       PRO  40  16.748  -3.149   5.740
  304    H    CYS  41           H        CYS  41  12.392  -2.631   4.999
  305    HA   CYS  41           HA       CYS  41  10.056  -1.017   5.634
  306   1HB   CYS  41          1HB       CYS  41   9.775  -3.724   4.569
  307   2HB   CYS  41          2HB       CYS  41   8.597  -2.496   4.860
  308    HG   CYS  41           HG       CYS  41   8.924  -2.026   2.671
  309    H    LYS  42           H        LYS  42  11.595  -3.584   7.373
  310    HA   LYS  42           HA       LYS  42   9.537  -3.914   9.260
  311   1HB   LYS  42          1HB       LYS  42  11.487  -5.544   8.878
  312   2HB   LYS  42          2HB       LYS  42  12.513  -4.336   9.630
  313   1HG   LYS  42          1HG       LYS  42  11.313  -4.763  11.825
  314   2HG   LYS  42          2HG       LYS  42  10.300  -5.860  11.004
  315   1HD   LYS  42          1HD       LYS  42  12.344  -7.492  10.533
  316   2HD   LYS  42          2HD       LYS  42  13.351  -6.124  11.019
  317   1HE   LYS  42          1HE       LYS  42  13.311  -7.997  12.585
  318   2HE   LYS  42          2HE       LYS  42  12.809  -6.416  13.325
  319   1HZ   LYS  42          1HZ       LYS  42  10.522  -7.044  13.143
  320   2HZ   LYS  42          2HZ       LYS  42  11.046  -8.482  12.349
  321    H    MET  43           H        MET  43  12.210  -1.444   9.552
  322    HA   MET  43           HA       MET  43  10.783   0.317  11.366
  323   1HB   MET  43          1HB       MET  43  12.260   2.125  10.821
  324   2HB   MET  43          2HB       MET  43  13.066   0.660  11.087
  325   1HG   MET  43          1HG       MET  43  13.413   0.187   8.734
  326   2HG   MET  43          2HG       MET  43  12.589   1.779   8.376
  327   1HE   MET  43          1HE       MET  43  15.426   4.117   7.987
  328   2HE   MET  43          2HE       MET  43  14.506   2.975   6.971
  329   3HE   MET  43          3HE       MET  43  13.619   3.940   8.192
  330    H    ILE  44           H        ILE  44  10.450   0.416   7.818
  331    HA   ILE  44           HA       ILE  44   8.583   2.660   7.824
  332    HB   ILE  44           HB       ILE  44   9.947   1.410   5.770
  333   1HG1  ILE  44          1HG1      ILE  44   8.946   2.966   4.243
  334   2HG1  ILE  44          2HG1      ILE  44   7.846   3.450   5.596
  335   1HG2  ILE  44          1HG2      ILE  44   7.148   1.038   4.740
  336   2HG2  ILE  44          2HG2      ILE  44   8.756   0.472   4.063
  337   3HG2  ILE  44          3HG2      ILE  44   8.001  -0.327   5.527
  338   1HD1  ILE  44          1HD1      ILE  44  10.237   3.730   6.818
  339   2HD1  ILE  44          2HD1      ILE  44  10.774   3.789   5.162
  340   3HD1  ILE  44          3HD1      ILE  44   9.477   5.006   5.736
  341    H    ALA  45           H        ALA  45   7.899  -0.587   8.561
  342    HA   ALA  45           HA       ALA  45   4.957  -0.639   8.333
  343   1HB   ALA  45          1HB       ALA  45   6.984  -2.188   9.894
  344   2HB   ALA  45          2HB       ALA  45   5.184  -2.539   9.917
  345   3HB   ALA  45          3HB       ALA  45   6.062  -2.734   8.375
  346    HA   PRO  46           HA       PRO  46   4.541   1.611  12.697
  347   1HB   PRO  46          1HB       PRO  46   7.532   2.118  12.815
  348   2HB   PRO  46          2HB       PRO  46   6.245   2.059  14.067
  349   1HG   PRO  46          1HG       PRO  46   7.944  -0.045  13.704
  350   2HG   PRO  46          2HG       PRO  46   6.350  -0.311  14.013
  351   1HD   PRO  46          1HD       PRO  46   7.753  -0.169  11.279
  352   2HD   PRO  46          2HD       PRO  46   6.479  -1.321  11.802
  353    H    ILE  47           H        ILE  47   6.942   2.852  10.176
  354    HA   ILE  47           HA       ILE  47   6.086   5.591  10.432
  355    HB   ILE  47           HB       ILE  47   7.392   4.228   8.130
  356   1HG1  ILE  47          1HG1      ILE  47   8.748   4.408  10.197
  357   2HG1  ILE  47          2HG1      ILE  47   9.442   5.420   8.944
  358   1HG2  ILE  47          1HG2      ILE  47   6.358   5.935   6.988
  359   2HG2  ILE  47          2HG2      ILE  47   6.779   7.136   8.293
  360   3HG2  ILE  47          3HG2      ILE  47   8.062   6.426   7.147
  361   1HD1  ILE  47          1HD1      ILE  47   9.552   6.511  11.109
  362   2HD1  ILE  47          2HD1      ILE  47   8.493   7.480   9.930
  363   3HD1  ILE  47          3HD1      ILE  47   7.754   6.486  11.294
  364    H    PHE  48           H        PHE  48   5.208   3.291   8.147
  365    HA   PHE  48           HA       PHE  48   2.943   4.510   6.694
  366   1HB   PHE  48          1HB       PHE  48   4.304   2.345   6.081
  367   2HB   PHE  48          2HB       PHE  48   3.459   1.475   7.299
  368    HD1  PHE  48           1HD      PHE  48   2.104  -0.125   6.445
  369    HD2  PHE  48           2HD      PHE  48   2.123   3.631   4.160
  370    HE1  PHE  48           1HE      PHE  48   1.041  -1.115   4.520
  371    HE2  PHE  48           2HE      PHE  48   1.104   2.510   2.388
  372    HZ   PHE  48           HZ       PHE  48   0.505   0.246   2.481
  373    H    ALA  49           H        ALA  49   2.995   3.104   9.966
  374    HA   ALA  49           HA       ALA  49   0.086   2.887  10.416
  375   1HB   ALA  49          1HB       ALA  49   1.569   1.139  11.387
  376   2HB   ALA  49          2HB       ALA  49   2.239   2.420  12.405
  377   3HB   ALA  49          3HB       ALA  49   0.477   1.973  12.495
  378    H    GLU  50           H        GLU  50   2.876   5.087  11.471
  379    HA   GLU  50           HA       GLU  50   1.087   7.046  12.833
  380   1HB   GLU  50          1HB       GLU  50   3.764   6.686  12.866
  381   2HB   GLU  50          2HB       GLU  50   3.821   7.586  11.409
  382   1HG   GLU  50          1HG       GLU  50   2.319   8.534  14.022
  383   2HG   GLU  50          2HG       GLU  50   4.030   8.527  14.130
  384    HE2  GLU  50           HE       GLU  50   2.229  11.634  12.788
  385    H    LEU  51           H        LEU  51   2.424   7.074   9.517
  386    HA   LEU  51           HA       LEU  51   0.880   9.126   8.345
  387   1HB   LEU  51          1HB       LEU  51   2.630   8.101   7.329
  388   2HB   LEU  51          2HB       LEU  51   1.960   6.495   7.311
  389    HG   LEU  51           HG       LEU  51   2.218   7.956   5.156
  390   1HD1  LEU  51          1HD1      LEU  51  -0.311   6.192   5.593
  391   2HD1  LEU  51          2HD1      LEU  51   0.467   6.503   4.102
  392   3HD1  LEU  51          3HD1      LEU  51   1.286   5.630   5.158
  393   1HD2  LEU  51          1HD2      LEU  51   0.835   9.879   6.212
  394   2HD2  LEU  51          2HD2      LEU  51   0.475   9.357   4.474
  395   3HD2  LEU  51          3HD2      LEU  51  -0.607   8.791   5.831
  396    H    ALA  52           H        ALA  52  -0.266   5.770   8.989
  397    HA   ALA  52           HA       ALA  52  -2.793   5.852   7.603
  398   1HB   ALA  52          1HB       ALA  52  -1.662   3.896   8.314
  399   2HB   ALA  52          2HB       ALA  52  -2.144   4.267  10.047
  400   3HB   ALA  52          3HB       ALA  52  -3.320   3.932   8.734
  401    H    LYS  53           H        LYS  53  -1.879   6.474  10.968
  402    HA   LYS  53           HA       LYS  53  -4.429   7.512  12.139
  403   1HB   LYS  53          1HB       LYS  53  -1.578   7.847  13.171
  404   2HB   LYS  53          2HB       LYS  53  -3.039   8.755  13.915
  405   1HG   LYS  53          1HG       LYS  53  -4.053   6.604  14.455
  406   2HG   LYS  53          2HG       LYS  53  -2.809   5.662  13.544
  407   1HD   LYS  53          1HD       LYS  53  -2.121   7.319  15.954
  408   2HD   LYS  53          2HD       LYS  53  -2.728   5.695  16.037
  409   1HE   LYS  53          1HE       LYS  53  -0.910   4.795  14.682
  410   2HE   LYS  53          2HE       LYS  53  -0.010   6.436  14.612
  411   1HZ   LYS  53          1HZ       LYS  53   0.967   5.281  16.466
  412   2HZ   LYS  53          2HZ       LYS  53  -0.145   6.167  17.179
  413    H    LYS  54           H        LYS  54  -1.956   9.187  10.341
  414    HA   LYS  54           HA       LYS  54  -2.823  11.975  10.845
  415   1HB   LYS  54          1HB       LYS  54  -0.438  11.098  10.379
  416   2HB   LYS  54          2HB       LYS  54  -1.095  10.720   8.752
  417   1HG   LYS  54          1HG       LYS  54  -1.448  13.182   8.360
  418   2HG   LYS  54          2HG       LYS  54  -1.113  13.609  10.059
  419   1HD   LYS  54          1HD       LYS  54   0.917  12.345   8.262
  420   2HD   LYS  54          2HD       LYS  54   0.633  14.162   8.446
  421   1HE   LYS  54          1HE       LYS  54   1.538  13.944  10.819
  422   2HE   LYS  54          2HE       LYS  54   1.615  12.156  10.558
  423   1HZ   LYS  54          1HZ       LYS  54   3.097  14.367   9.439
  424   2HZ   LYS  54          2HZ       LYS  54   3.829  13.152  10.076
  425    H    PHE  55           H        PHE  55  -3.589   9.415   8.612
  426    HA   PHE  55           HA       PHE  55  -5.241  11.084   6.639
  427   1HB   PHE  55          1HB       PHE  55  -2.766   9.319   6.357
  428   2HB   PHE  55          2HB       PHE  55  -3.926   9.176   5.154
  429    HD1  PHE  55           1HD      PHE  55  -4.867  11.810   4.116
  430    HD2  PHE  55           2HD      PHE  55  -1.192  11.261   6.492
  431    HE1  PHE  55           1HE      PHE  55  -3.964  13.658   3.080
  432    HE2  PHE  55           2HE      PHE  55  -0.536  13.328   5.633
  433    HZ   PHE  55           HZ       PHE  55  -1.899  14.734   4.072
  434    HA   PRO  56           HA       PRO  56  -8.225   7.672   7.817
  435   1HB   PRO  56          1HB       PRO  56 -10.322   9.245   8.500
  436   2HB   PRO  56          2HB       PRO  56  -9.084   8.784   9.551
  437   1HG   PRO  56          1HG       PRO  56  -9.471  11.413   7.765
  438   2HG   PRO  56          2HG       PRO  56  -9.096  11.176   9.496
  439   1HD   PRO  56          1HD       PRO  56  -7.004  11.680   7.505
  440   2HD   PRO  56          2HD       PRO  56  -6.776  10.844   9.106
  441    H    ASN  57           H        ASN  57  -7.957   9.221   5.127
  442    HA   ASN  57           HA       ASN  57 -10.601   8.837   3.967
  443   1HB   ASN  57          1HB       ASN  57 -10.020  10.306   2.001
  444   2HB   ASN  57          2HB       ASN  57  -9.900  11.210   3.464
  445   1HD2  ASN  57          1HD2      ASN  57  -7.630  11.952   3.904
  446   2HD2  ASN  57          2HD2      ASN  57  -6.525  12.010   2.532
  447    H    VAL  58           H        VAL  58  -7.940   7.374   4.489
  448    HA   VAL  58           HA       VAL  58  -7.835   5.758   1.976
  449    HB   VAL  58           HB       VAL  58  -6.593   7.727   1.578
  450   1HG1  VAL  58          1HG1      VAL  58  -4.973   7.520   4.342
  451   2HG1  VAL  58          2HG1      VAL  58  -4.504   8.436   2.869
  452   3HG1  VAL  58          3HG1      VAL  58  -6.174   8.720   3.694
  453   1HG2  VAL  58          1HG2      VAL  58  -4.320   6.867   1.120
  454   2HG2  VAL  58          2HG2      VAL  58  -4.787   5.388   2.034
  455   3HG2  VAL  58          3HG2      VAL  58  -5.724   5.888   0.633
  456    H    THR  59           H        THR  59  -8.097   3.649   2.423
  457    HA   THR  59           HA       THR  59  -7.040   2.308   4.794
  458    HB   THR  59           HB       THR  59  -7.960   1.107   2.077
  459    HG1  THR  59           1HG      THR  59  -9.607   0.384   3.640
  460   1HG2  THR  59          1HG2      THR  59  -8.412  -1.110   3.356
  461   2HG2  THR  59          2HG2      THR  59  -6.742  -0.803   2.931
  462   3HG2  THR  59          3HG2      THR  59  -7.339  -0.357   4.605
  463    H    PHE  60           H        PHE  60  -5.206   0.898   4.914
  464    HA   PHE  60           HA       PHE  60  -3.233   0.767   2.847
  465   1HB   PHE  60          1HB       PHE  60  -2.467   1.494   5.709
  466   2HB   PHE  60          2HB       PHE  60  -1.408   1.174   4.606
  467    HD1  PHE  60           1HD      PHE  60  -1.057   3.000   2.654
  468    HD2  PHE  60           2HD      PHE  60  -3.779   3.464   5.859
  469    HE1  PHE  60           1HE      PHE  60  -1.199   5.364   2.102
  470    HE2  PHE  60           2HE      PHE  60  -3.826   5.855   5.483
  471    HZ   PHE  60           HZ       PHE  60  -2.772   6.782   3.510
  472    H    LEU  61           H        LEU  61  -2.366  -1.050   2.459
  473    HA   LEU  61           HA       LEU  61  -2.566  -3.314   4.345
  474   1HB   LEU  61          1HB       LEU  61  -3.825  -4.652   2.949
  475   2HB   LEU  61          2HB       LEU  61  -4.502  -3.085   3.046
  476    HG   LEU  61           HG       LEU  61  -3.284  -2.826   0.531
  477   1HD1  LEU  61          1HD1      LEU  61  -3.388  -5.807   0.647
  478   2HD1  LEU  61          2HD1      LEU  61  -2.957  -4.834  -0.672
  479   3HD1  LEU  61          3HD1      LEU  61  -1.906  -5.030   0.719
  480   1HD2  LEU  61          1HD2      LEU  61  -5.740  -3.015   0.855
  481   2HD2  LEU  61          2HD2      LEU  61  -5.132  -3.850  -0.493
  482   3HD2  LEU  61          3HD2      LEU  61  -5.579  -4.809   0.851
  483    H    LYS  62           H        LYS  62  -1.198  -5.108   3.673
  484    HA   LYS  62           HA       LYS  62   1.431  -4.268   2.429
  485   1HB   LYS  62          1HB       LYS  62   2.816  -4.805   4.437
  486   2HB   LYS  62          2HB       LYS  62   2.054  -3.324   4.557
  487   1HG   LYS  62          1HG       LYS  62   0.347  -4.444   6.188
  488   2HG   LYS  62          2HG       LYS  62   1.146  -5.945   6.050
  489   1HD   LYS  62          1HD       LYS  62   3.266  -4.962   6.982
  490   2HD   LYS  62          2HD       LYS  62   2.531  -3.399   7.248
  491   1HE   LYS  62          1HE       LYS  62   0.892  -4.667   8.795
  492   2HE   LYS  62          2HE       LYS  62   1.612  -6.137   8.439
  493   1HZ   LYS  62          1HZ       LYS  62   2.820  -3.767   9.816
  494   2HZ   LYS  62          2HZ       LYS  62   3.721  -4.821   9.090
  495    H    VAL  63           H        VAL  63   1.385  -5.649   1.249
  496    HA   VAL  63           HA       VAL  63   1.100  -8.632   1.484
  497    HB   VAL  63           HB       VAL  63   1.945  -6.970  -0.835
  498   1HG1  VAL  63          1HG1      VAL  63   1.593  -9.032  -2.180
  499   2HG1  VAL  63          2HG1      VAL  63   3.143  -8.874  -1.551
  500   3HG1  VAL  63          3HG1      VAL  63   2.010 -10.025  -0.663
  501   1HG2  VAL  63          1HG2      VAL  63  -0.569  -7.011  -0.173
  502   2HG2  VAL  63          2HG2      VAL  63  -0.217  -7.504  -1.726
  503   3HG2  VAL  63          3HG2      VAL  63  -0.544  -8.701  -0.294
  504    H    ASP  64           H        ASP  64   2.465  -9.814   2.422
  505    HA   ASP  64           HA       ASP  64   5.421  -9.609   2.271
  506   1HB   ASP  64          1HB       ASP  64   4.676 -10.710   4.130
  507   2HB   ASP  64          2HB       ASP  64   3.665 -11.876   3.224
  508    HD2  ASP  64           HD       ASP  64   6.245 -14.028   4.043
  509    H    VAL  65           H        VAL  65   5.982  -9.735   0.260
  510    HA   VAL  65           HA       VAL  65   4.717 -10.943  -2.060
  511    HB   VAL  65           HB       VAL  65   5.922  -8.712  -1.709
  512   1HG1  VAL  65          1HG1      VAL  65   8.262  -8.521  -1.845
  513   2HG1  VAL  65          2HG1      VAL  65   8.341 -10.168  -1.302
  514   3HG1  VAL  65          3HG1      VAL  65   8.442  -9.863  -2.997
  515   1HG2  VAL  65          1HG2      VAL  65   6.248 -10.477  -4.141
  516   2HG2  VAL  65          2HG2      VAL  65   4.955  -9.210  -3.868
  517   3HG2  VAL  65          3HG2      VAL  65   6.638  -8.753  -4.194
  518    H    ASP  66           H        ASP  66   7.009 -12.511  -0.004
  519    HA   ASP  66           HA       ASP  66   7.942 -14.505  -1.756
  520   1HB   ASP  66          1HB       ASP  66   6.821 -14.936   1.101
  521   2HB   ASP  66          2HB       ASP  66   7.825 -16.130   0.176
  522    HD2  ASP  66           HD       ASP  66   9.711 -14.486   2.683
  523    H    GLU  67           H        GLU  67   4.690 -15.020   0.010
  524    HA   GLU  67           HA       GLU  67   3.604 -16.993  -1.732
  525   1HB   GLU  67          1HB       GLU  67   2.506 -14.731   0.131
  526   2HB   GLU  67          2HB       GLU  67   1.427 -15.938  -0.631
  527   1HG   GLU  67          1HG       GLU  67   3.773 -16.840   1.324
  528   2HG   GLU  67          2HG       GLU  67   2.160 -16.290   1.712
  529    HE2  GLU  67           HE       GLU  67   2.700 -19.924   0.300
  530    H    LEU  68           H        LEU  68   3.970 -13.586  -2.686
  531    HA   LEU  68           HA       LEU  68   1.857 -13.565  -4.864
  532   1HB   LEU  68          1HB       LEU  68   1.847 -11.666  -2.353
  533   2HB   LEU  68          2HB       LEU  68   0.814 -11.511  -3.773
  534    HG   LEU  68           HG       LEU  68   0.609 -13.742  -1.712
  535   1HD1  LEU  68          1HD1      LEU  68  -1.742 -12.253  -1.410
  536   2HD1  LEU  68          2HD1      LEU  68  -0.198 -11.514  -0.894
  537   3HD1  LEU  68          3HD1      LEU  68  -0.904 -11.057  -2.445
  538   1HD2  LEU  68          1HD2      LEU  68  -0.182 -14.478  -3.969
  539   2HD2  LEU  68          2HD2      LEU  68  -1.435 -14.372  -2.726
  540   3HD2  LEU  68          3HD2      LEU  68  -1.261 -13.035  -4.030
  541    H    LYS  69           H        LYS  69   4.363 -13.573  -5.095
  542    HA   LYS  69           HA       LYS  69   5.494 -11.034  -6.321
  543   1HB   LYS  69          1HB       LYS  69   7.312 -12.325  -7.174
  544   2HB   LYS  69          2HB       LYS  69   7.071 -12.611  -5.580
  545   1HG   LYS  69          1HG       LYS  69   5.916 -14.815  -6.058
  546   2HG   LYS  69          2HG       LYS  69   6.174 -14.491  -7.807
  547   1HD   LYS  69          1HD       LYS  69   8.660 -14.375  -7.466
  548   2HD   LYS  69          2HD       LYS  69   8.350 -14.713  -5.747
  549   1HE   LYS  69          1HE       LYS  69   7.437 -16.550  -8.015
  550   2HE   LYS  69          2HE       LYS  69   9.131 -16.643  -7.433
  551   1HZ   LYS  69          1HZ       LYS  69   8.265 -18.088  -5.912
  552   2HZ   LYS  69          2HZ       LYS  69   7.639 -16.828  -5.072
  553    H    ALA  70           H        ALA  70   3.541 -13.678  -7.853
  554    HA   ALA  70           HA       ALA  70   3.889 -12.891 -10.597
  555   1HB   ALA  70          1HB       ALA  70   1.756 -14.255 -11.213
  556   2HB   ALA  70          2HB       ALA  70   2.800 -15.123 -10.053
  557   3HB   ALA  70          3HB       ALA  70   1.400 -14.423  -9.553
  558    H    VAL  71           H        VAL  71   1.143 -12.158  -8.435
  559    HA   VAL  71           HA       VAL  71   0.047 -10.059  -9.949
  560    HB   VAL  71           HB       VAL  71  -1.149 -11.364  -8.106
  561   1HG1  VAL  71          1HG1      VAL  71  -0.908 -11.084  -5.864
  562   2HG1  VAL  71          2HG1      VAL  71   0.685 -11.298  -6.351
  563   3HG1  VAL  71          3HG1      VAL  71   0.135  -9.660  -6.162
  564   1HG2  VAL  71          1HG2      VAL  71  -2.448  -9.363  -7.236
  565   2HG2  VAL  71          2HG2      VAL  71  -1.097  -8.371  -7.615
  566   3HG2  VAL  71          3HG2      VAL  71  -1.950  -8.985  -8.957
  567    H    ALA  72           H        ALA  72   2.474  -9.712  -7.200
  568    HA   ALA  72           HA       ALA  72   2.671  -6.952  -6.962
  569   1HB   ALA  72          1HB       ALA  72   4.986  -7.285  -6.241
  570   2HB   ALA  72          2HB       ALA  72   3.937  -8.659  -5.759
  571   3HB   ALA  72          3HB       ALA  72   5.027  -8.864  -7.049
  572    H    GLU  73           H        GLU  73   4.194  -8.961  -9.185
  573    HA   GLU  73           HA       GLU  73   5.741  -7.013 -10.711
  574   1HB   GLU  73          1HB       GLU  73   4.919  -9.927 -11.681
  575   2HB   GLU  73          2HB       GLU  73   5.960  -8.795 -12.485
  576   1HG   GLU  73          1HG       GLU  73   7.629  -8.743 -10.938
  577   2HG   GLU  73          2HG       GLU  73   6.763  -9.552  -9.630
  578    HE2  GLU  73           HE       GLU  73   8.404 -11.982 -12.391
  579    H    GLU  74           H        GLU  74   2.377  -8.504 -11.207
  580    HA   GLU  74           HA       GLU  74   1.958  -7.574 -13.989
  581   1HB   GLU  74          1HB       GLU  74   0.037  -8.502 -14.078
  582   2HB   GLU  74          2HB       GLU  74   0.806  -9.522 -12.854
  583   1HG   GLU  74          1HG       GLU  74  -0.696  -8.635 -11.112
  584   2HG   GLU  74          2HG       GLU  74  -1.338  -7.414 -12.147
  585    HE2  GLU  74           HE       GLU  74  -2.436  -8.445 -13.847
  586    H    TRP  75           H        TRP  75   1.032  -6.000 -10.645
  587    HA   TRP  75           HA       TRP  75  -0.193  -3.602 -11.915
  588   1HB   TRP  75          1HB       TRP  75   0.728  -3.651  -9.054
  589   2HB   TRP  75          2HB       TRP  75  -0.539  -2.688  -9.896
  590    HD1  TRP  75           HD       TRP  75  -0.199  -4.740  -7.321
  591    HE1  TRP  75           1HE      TRP  75  -2.287  -6.511  -6.732
  592    HE3  TRP  75           3HE      TRP  75  -2.535  -4.594 -11.818
  593    HZ2  TRP  75           2HZ      TRP  75  -4.217  -7.599  -8.111
  594    HZ3  TRP  75           3HZ      TRP  75  -4.656  -6.053 -12.153
  595    HH2  TRP  75           HH       TRP  75  -5.536  -7.312 -10.338
  596    H    ASN  76           H        ASN  76   2.877  -4.409 -10.573
  597    HA   ASN  76           HA       ASN  76   4.457  -3.977 -12.516
  598   1HB   ASN  76          1HB       ASN  76   3.359  -2.086 -13.430
  599   2HB   ASN  76          2HB       ASN  76   4.037  -1.092 -12.164
  600   1HD2  ASN  76          1HD2      ASN  76   6.426  -0.692 -12.558
  601   2HD2  ASN  76          2HD2      ASN  76   7.330  -1.300 -14.008
  602    H    VAL  77           H        VAL  77   5.603  -5.071 -10.757
  603    HA   VAL  77           HA       VAL  77   7.452  -3.402  -9.184
  604    HB   VAL  77           HB       VAL  77   5.930  -5.864  -8.145
  605   1HG1  VAL  77          1HG1      VAL  77   7.703  -3.948  -6.462
  606   2HG1  VAL  77          2HG1      VAL  77   6.868  -5.342  -5.832
  607   3HG1  VAL  77          3HG1      VAL  77   8.123  -5.599  -6.983
  608   1HG2  VAL  77          1HG2      VAL  77   5.531  -2.851  -7.518
  609   2HG2  VAL  77          2HG2      VAL  77   4.281  -3.890  -8.174
  610   3HG2  VAL  77          3HG2      VAL  77   4.757  -4.160  -6.545
  611    H    GLU  78           H        GLU  78   8.655  -3.985 -11.031
  612    HA   GLU  78           HA       GLU  78  10.420  -6.302 -10.910
  613   1HB   GLU  78          1HB       GLU  78  11.975  -4.992 -12.210
  614   2HB   GLU  78          2HB       GLU  78  10.229  -4.922 -12.876
  615   1HG   GLU  78          1HG       GLU  78  10.974  -2.782 -13.285
  616   2HG   GLU  78          2HG       GLU  78   9.808  -2.655 -12.001
  617    HE2  GLU  78           HE       GLU  78  13.111  -2.959 -12.290
  618    H    ALA  79           H        ALA  79   9.981  -4.344  -8.350
  619    HA   ALA  79           HA       ALA  79  12.731  -4.828  -7.205
  620   1HB   ALA  79          1HB       ALA  79  13.225  -2.339  -6.818
  621   2HB   ALA  79          2HB       ALA  79  13.133  -2.882  -8.533
  622   3HB   ALA  79          3HB       ALA  79  11.710  -1.953  -7.806
  623    H    MET  80           H        MET  80  12.834  -4.678  -5.306
  624    HA   MET  80           HA       MET  80  10.702  -4.257  -3.203
  625   1HB   MET  80          1HB       MET  80  13.270  -5.661  -2.897
  626   2HB   MET  80          2HB       MET  80  12.629  -4.849  -1.599
  627   1HG   MET  80          1HG       MET  80  11.895  -7.193  -1.799
  628   2HG   MET  80          2HG       MET  80  10.633  -6.050  -1.754
  629   1HE   MET  80          1HE       MET  80   8.576  -6.332  -3.012
  630   2HE   MET  80          2HE       MET  80   9.013  -5.197  -4.314
  631   3HE   MET  80          3HE       MET  80   8.320  -6.795  -4.654
  632    HA   PRO  81           HA       PRO  81   9.574  -2.738  -3.046
  633   1HB   PRO  81          1HB       PRO  81   9.415  -2.298  -0.342
  634   2HB   PRO  81          2HB       PRO  81  10.621  -3.333  -1.048
  635   1HG   PRO  81          2HG       PRO  81  10.667  -0.321  -0.091
  636   2HG   PRO  81          1HG       PRO  81  11.879  -1.643   0.174
  637   1HD   PRO  81          1HD       PRO  81  11.849   0.310  -2.058
  638   2HD   PRO  81          2HD       PRO  81  13.169  -0.810  -1.640
  639    H    THR  82           H        THR  82   7.825  -2.207  -3.297
  640    HA   THR  82           HA       THR  82   7.385   0.524  -4.014
  641    HB   THR  82           HB       THR  82   6.799  -2.136  -5.408
  642    HG1  THR  82           1HG      THR  82   8.688  -1.782  -6.115
  643   1HG2  THR  82          1HG2      THR  82   6.608  -0.514  -7.471
  644   2HG2  THR  82          2HG2      THR  82   5.373  -0.488  -6.277
  645   3HG2  THR  82          3HG2      THR  82   6.395   0.853  -6.450
  646    H    PHE  83           H        PHE  83   5.586   1.350  -3.980
  647    HA   PHE  83           HA       PHE  83   3.239   0.506  -2.359
  648   1HB   PHE  83          1HB       PHE  83   4.500   3.402  -2.874
  649   2HB   PHE  83          2HB       PHE  83   3.068   3.057  -1.985
  650    HD1  PHE  83           1HD      PHE  83   6.785   2.753  -1.637
  651    HD2  PHE  83           2HD      PHE  83   2.853   2.291   0.170
  652    HE1  PHE  83           1HE      PHE  83   7.745   2.554   0.466
  653    HE2  PHE  83           2HE      PHE  83   3.963   1.927   2.470
  654    HZ   PHE  83           HZ       PHE  83   6.431   2.118   2.612
  655    H    ILE  84           H        ILE  84   1.422   0.637  -3.525
  656    HA   ILE  84           HA       ILE  84   1.155   1.764  -6.347
  657    HB   ILE  84           HB       ILE  84   1.028  -1.029  -5.339
  658   1HG1  ILE  84          1HG1      ILE  84   1.135  -0.570  -8.374
  659   2HG1  ILE  84          2HG1      ILE  84   2.259   0.440  -7.509
  660   1HG2  ILE  84          1HG2      ILE  84  -1.258  -0.202  -7.232
  661   2HG2  ILE  84          2HG2      ILE  84  -0.526  -1.755  -6.944
  662   3HG2  ILE  84          3HG2      ILE  84  -1.343  -1.036  -5.555
  663   1HD1  ILE  84          1HD1      ILE  84   3.161  -1.815  -6.352
  664   2HD1  ILE  84          2HD1      ILE  84   2.056  -2.666  -7.553
  665   3HD1  ILE  84          3HD1      ILE  84   3.421  -1.671  -8.149
  666    H    PHE  85           H        PHE  85  -0.927   2.498  -6.765
  667    HA   PHE  85           HA       PHE  85  -2.556   3.361  -4.400
  668   1HB   PHE  85          1HB       PHE  85  -1.394   5.143  -6.586
  669   2HB   PHE  85          2HB       PHE  85  -2.578   5.540  -5.256
  670    HD1  PHE  85           1HD      PHE  85   1.075   4.842  -5.749
  671    HD2  PHE  85           2HD      PHE  85  -1.999   6.311  -3.112
  672    HE1  PHE  85           1HE      PHE  85   2.772   5.116  -4.111
  673    HE2  PHE  85           2HE      PHE  85  -0.404   6.767  -1.522
  674    HZ   PHE  85           HZ       PHE  85   2.144   6.048  -1.883
  675    H    LEU  86           H        LEU  86  -4.522   2.745  -4.839
  676    HA   LEU  86           HA       LEU  86  -5.789   2.573  -7.602
  677   1HB   LEU  86          1HB       LEU  86  -5.066   0.405  -5.870
  678   2HB   LEU  86          2HB       LEU  86  -6.616   0.946  -5.154
  679    HG   LEU  86           HG       LEU  86  -7.020  -0.970  -6.534
  680   1HD1  LEU  86          1HD1      LEU  86  -8.770  -0.203  -7.950
  681   2HD1  LEU  86          2HD1      LEU  86  -8.798   0.794  -6.659
  682   3HD1  LEU  86          3HD1      LEU  86  -7.898   1.262  -8.140
  683   1HD2  LEU  86          1HD2      LEU  86  -6.182  -1.163  -8.815
  684   2HD2  LEU  86          2HD2      LEU  86  -5.658   0.528  -8.895
  685   3HD2  LEU  86          3HD2      LEU  86  -4.823  -0.520  -7.784
  686    H    LYS  87           H        LYS  87  -7.249   3.736  -7.700
  687    HA   LYS  87           HA       LYS  87  -8.702   5.314  -5.616
  688   1HB   LYS  87          1HB       LYS  87  -7.725   6.041  -8.198
  689   2HB   LYS  87          2HB       LYS  87  -9.202   5.731  -8.622
  690   1HG   LYS  87          1HG       LYS  87  -9.253   8.045  -8.193
  691   2HG   LYS  87          2HG       LYS  87 -10.159   7.460  -6.847
  692   1HD   LYS  87          1HD       LYS  87  -8.046   7.466  -5.185
  693   2HD   LYS  87          2HD       LYS  87  -7.114   8.094  -6.469
  694   1HE   LYS  87          1HE       LYS  87  -8.865   9.997  -6.773
  695   2HE   LYS  87          2HE       LYS  87  -9.438   9.285  -5.202
  696   1HZ   LYS  87          1HZ       LYS  87  -7.076   9.589  -4.498
  697   2HZ   LYS  87          2HZ       LYS  87  -7.007  10.778  -5.549
  698    H    ASP  88           H        ASP  88 -11.176   4.917  -5.426
  699    HA   ASP  88           HA       ASP  88 -12.778   3.413  -7.201
  700   1HB   ASP  88          1HB       ASP  88 -14.791   4.578  -6.604
  701   2HB   ASP  88          2HB       ASP  88 -13.623   4.378  -5.283
  702    HD2  ASP  88           HD       ASP  88 -12.892   7.757  -4.890
  703    H    GLY  89           H        GLY  89 -11.104   4.001  -8.866
  704   1HA   GLY  89          1HA       GLY  89 -12.394   4.658 -11.403
  705   2HA   GLY  89          2HA       GLY  89 -11.465   6.030 -10.896
  706    H    LYS  90           H        LYS  90 -10.489   2.730 -10.284
  707    HA   LYS  90           HA       LYS  90  -8.827   1.084 -11.121
  708   1HB   LYS  90          1HB       LYS  90  -8.709   2.655 -13.651
  709   2HB   LYS  90          2HB       LYS  90  -7.693   1.287 -13.276
  710   1HG   LYS  90          1HG       LYS  90  -9.594   0.411 -14.557
  711   2HG   LYS  90          2HG       LYS  90  -9.845  -0.131 -12.868
  712   1HD   LYS  90          1HD       LYS  90 -11.610   1.953 -12.944
  713   2HD   LYS  90          2HD       LYS  90 -11.435   1.944 -14.739
  714   1HE   LYS  90          1HE       LYS  90 -11.805  -0.469 -14.789
  715   2HE   LYS  90          2HE       LYS  90 -12.323  -0.433 -13.181
  716   1HZ   LYS  90          1HZ       LYS  90 -13.702   1.142 -15.257
  717   2HZ   LYS  90          2HZ       LYS  90 -14.075   1.202 -13.732
  718    H    LEU  91           H        LEU  91  -6.644   1.147 -12.060
  719    HA   LEU  91           HA       LEU  91  -4.777   1.921 -10.033
  720   1HB   LEU  91          1HB       LEU  91  -4.744  -0.137 -11.545
  721   2HB   LEU  91          2HB       LEU  91  -4.253   1.006 -12.907
  722    HG   LEU  91           HG       LEU  91  -2.179   1.788 -11.714
  723   1HD1  LEU  91          1HD1      LEU  91  -2.964   0.826  -9.405
  724   2HD1  LEU  91          2HD1      LEU  91  -2.523  -0.779 -10.027
  725   3HD1  LEU  91          3HD1      LEU  91  -1.223   0.554  -9.710
  726   1HD2  LEU  91          1HD2      LEU  91  -0.826  -0.095 -12.440
  727   2HD2  LEU  91          2HD2      LEU  91  -2.268  -1.068 -12.411
  728   3HD2  LEU  91          3HD2      LEU  91  -2.222   0.208 -13.617
  729    H    VAL  92           H        VAL  92  -4.517   4.020  -9.604
  730    HA   VAL  92           HA       VAL  92  -4.115   6.138 -11.580
  731    HB   VAL  92           HB       VAL  92  -4.043   7.677  -9.908
  732   1HG1  VAL  92          1HG1      VAL  92  -6.616   6.119 -10.065
  733   2HG1  VAL  92          2HG1      VAL  92  -6.449   7.640  -9.281
  734   3HG1  VAL  92          3HG1      VAL  92  -5.880   7.564 -11.035
  735   1HG2  VAL  92          1HG2      VAL  92  -4.703   5.543  -7.731
  736   2HG2  VAL  92          2HG2      VAL  92  -3.307   6.655  -7.582
  737   3HG2  VAL  92          3HG2      VAL  92  -4.911   7.268  -7.459
  738    H    ASP  93           H        ASP  93  -1.869   4.812  -8.950
  739    HA   ASP  93           HA       ASP  93   0.532   5.643 -10.583
  740   1HB   ASP  93          1HB       ASP  93  -0.760   7.918  -9.633
  741   2HB   ASP  93          2HB       ASP  93   0.131   7.468  -8.231
  742    HD2  ASP  93           HD       ASP  93   0.469   8.570 -11.204
  743    H    LYS  94           H        LYS  94   2.547   5.902  -8.966
  744    HA   LYS  94           HA       LYS  94   2.750   3.947  -6.952
  745   1HB   LYS  94          1HB       LYS  94   4.203   2.317  -8.166
  746   2HB   LYS  94          2HB       LYS  94   2.474   2.204  -8.583
  747   1HG   LYS  94          1HG       LYS  94   2.969   3.441 -10.701
  748   2HG   LYS  94          2HG       LYS  94   4.716   3.439 -10.248
  749   1HD   LYS  94          1HD       LYS  94   4.934   1.098 -10.389
  750   2HD   LYS  94          2HD       LYS  94   3.224   0.713 -10.515
  751   1HE   LYS  94          1HE       LYS  94   4.540   2.631 -12.774
  752   2HE   LYS  94          2HE       LYS  94   4.973   1.027 -12.769
  753   1HZ   LYS  94          1HZ       LYS  94   3.149   0.389 -13.747
  754   2HZ   LYS  94          2HZ       LYS  94   2.748   2.003 -13.857
  755    H    THR  95           H        THR  95   5.117   3.386  -6.277
  756    HA   THR  95           HA       THR  95   7.199   5.165  -7.185
  757    HB   THR  95           HB       THR  95   5.753   6.172  -4.749
  758    HG1  THR  95           1HG      THR  95   5.126   7.368  -6.303
  759   1HG2  THR  95          1HG2      THR  95   8.151   6.328  -3.868
  760   2HG2  THR  95          2HG2      THR  95   8.726   6.483  -5.558
  761   3HG2  THR  95          3HG2      THR  95   7.958   7.851  -4.745
  762    H    VAL  96           H        VAL  96   8.779   4.117  -6.773
  763    HA   VAL  96           HA       VAL  96   8.933   1.985  -4.820
  764    HB   VAL  96           HB       VAL  96   8.998   1.068  -6.966
  765   1HG1  VAL  96          1HG1      VAL  96  11.021   3.143  -7.927
  766   2HG1  VAL  96          2HG1      VAL  96  10.271   1.728  -8.784
  767   3HG1  VAL  96          3HG1      VAL  96   9.285   3.104  -8.351
  768   1HG2  VAL  96          1HG2      VAL  96  10.730   0.027  -5.684
  769   2HG2  VAL  96          2HG2      VAL  96  10.994  -0.086  -7.437
  770   3HG2  VAL  96          3HG2      VAL  96  11.931   0.989  -6.457
  771    H    GLY  97           H        GLY  97  10.089   2.256  -3.072
  772   1HA   GLY  97          1HA       GLY  97  12.582   2.920  -2.563
  773   2HA   GLY  97          2HA       GLY  97  12.001   4.613  -2.447
  774    H    ALA  98           H        ALA  98  12.346   4.873  -0.169
  775    HA   ALA  98           HA       ALA  98  10.856   3.549   1.924
  776   1HB   ALA  98          1HB       ALA  98  13.629   2.352   1.726
  777   2HB   ALA  98          2HB       ALA  98  12.743   2.484   3.184
  778   3HB   ALA  98          3HB       ALA  98  12.134   1.465   1.743
  779    H    ASP  99           H        ASP  99  10.665   5.565   2.620
  780    HA   ASP  99           HA       ASP  99  13.012   6.839   3.957
  781   1HB   ASP  99          1HB       ASP  99  12.949   7.643   1.485
  782   2HB   ASP  99          2HB       ASP  99  11.363   8.428   1.777
  783    HD2  ASP  99           HD       ASP  99  14.690   9.907   3.694
  784    H    LYS 100           H        LYS 100  12.401   8.121   5.623
  785    HA   LYS 100           HA       LYS 100  10.005   7.411   7.148
  786   1HB   LYS 100          1HB       LYS 100  10.983   8.686   8.869
  787   2HB   LYS 100          2HB       LYS 100  12.145   7.564   8.159
  788   1HG   LYS 100          1HG       LYS 100  13.227   9.617   7.012
  789   2HG   LYS 100          2HG       LYS 100  12.165  10.514   8.204
  790   1HD   LYS 100          1HD       LYS 100  13.377   9.325  10.027
  791   2HD   LYS 100          2HD       LYS 100  14.286   8.415   8.923
  792   1HE   LYS 100          1HE       LYS 100  15.154  10.799   8.137
  793   2HE   LYS 100          2HE       LYS 100  14.245  11.535   9.377
  794   1HZ   LYS 100          1HZ       LYS 100  15.597   9.826  10.849
  795   2HZ   LYS 100          2HZ       LYS 100  16.618   9.499   9.652
  796    H    ASP 101           H        ASP 101  10.951  10.607   6.085
  797    HA   ASP 101           HA       ASP 101   8.271  11.771   6.391
  798   1HB   ASP 101          1HB       ASP 101   9.320  13.875   5.329
  799   2HB   ASP 101          2HB       ASP 101   9.826  13.518   6.832
  800    HD2  ASP 101           HD       ASP 101  12.163  14.080   3.742
  801    H    GLY 102           H        GLY 102  10.449  10.799   3.804
  802   1HA   GLY 102          1HA       GLY 102   9.360  11.656   1.437
  803   2HA   GLY 102          2HA       GLY 102  10.056  10.103   1.567
  804    H    LEU 103           H        LEU 103   8.324   8.487   2.882
  805    HA   LEU 103           HA       LEU 103   6.039   8.026   1.236
  806   1HB   LEU 103          1HB       LEU 103   7.100   6.037   2.280
  807   2HB   LEU 103          2HB       LEU 103   6.794   6.904   3.855
  808    HG   LEU 103           HG       LEU 103   4.321   6.827   3.357
  809   1HD1  LEU 103          1HD1      LEU 103   3.666   4.739   1.968
  810   2HD1  LEU 103          2HD1      LEU 103   3.899   6.300   1.100
  811   3HD1  LEU 103          3HD1      LEU 103   5.116   4.964   1.143
  812   1HD2  LEU 103          1HD2      LEU 103   4.310   4.319   4.273
  813   2HD2  LEU 103          2HD2      LEU 103   6.035   4.302   4.000
  814   3HD2  LEU 103          3HD2      LEU 103   5.334   5.289   5.199
  815    HA   PRO 104           HA       PRO 104   2.959  10.547   4.427
  816   1HB   PRO 104          1HB       PRO 104   5.052  12.251   5.619
  817   2HB   PRO 104          2HB       PRO 104   3.740  11.572   6.372
  818   1HG   PRO 104          1HG       PRO 104   5.872  10.385   7.086
  819   2HG   PRO 104          2HG       PRO 104   4.579   9.424   6.705
  820   1HD   PRO 104          1HD       PRO 104   6.906   9.603   4.952
  821   2HD   PRO 104          2HD       PRO 104   5.704   8.322   5.294
  822    H    THR 105           H        THR 105   5.741  11.783   2.752
  823    HA   THR 105           HA       THR 105   4.533  14.414   1.889
  824    HB   THR 105           HB       THR 105   6.957  12.901   0.659
  825    HG1  THR 105           1HG      THR 105   7.023  13.534   2.935
  826   1HG2  THR 105          1HG2      THR 105   6.162  14.818  -0.797
  827   2HG2  THR 105          2HG2      THR 105   6.164  15.929   0.584
  828   3HG2  THR 105          3HG2      THR 105   7.757  15.167   0.102
  829    H    LEU 106           H        LEU 106   5.411  11.471   0.186
  830    HA   LEU 106           HA       LEU 106   4.271  11.805  -2.241
  831   1HB   LEU 106          1HB       LEU 106   5.806   9.965  -1.897
  832   2HB   LEU 106          2HB       LEU 106   4.843   9.403  -0.514
  833    HG   LEU 106           HG       LEU 106   3.088   8.844  -2.411
  834   1HD1  LEU 106          1HD1      LEU 106   4.291   8.262  -4.699
  835   2HD1  LEU 106          2HD1      LEU 106   4.093  10.020  -4.429
  836   3HD1  LEU 106          3HD1      LEU 106   5.679   9.281  -4.077
  837   1HD2  LEU 106          1HD2      LEU 106   4.255   6.476  -2.823
  838   2HD2  LEU 106          2HD2      LEU 106   5.726   7.191  -2.430
  839   3HD2  LEU 106          3HD2      LEU 106   4.696   7.223  -1.174
  840    H    VAL 107           H        VAL 107   2.840  10.031   0.468
  841    HA   VAL 107           HA       VAL 107   0.170   9.438  -0.674
  842    HB   VAL 107           HB       VAL 107   1.195   9.408   2.266
  843   1HG1  VAL 107          1HG1      VAL 107  -1.258   9.774   2.446
  844   2HG1  VAL 107          2HG1      VAL 107  -1.622   8.488   1.353
  845   3HG1  VAL 107          3HG1      VAL 107  -0.794   7.962   2.797
  846   1HG2  VAL 107          1HG2      VAL 107   1.455   6.914   1.993
  847   2HG2  VAL 107          2HG2      VAL 107   0.447   6.976   0.418
  848   3HG2  VAL 107          3HG2      VAL 107   2.126   7.715   0.413
  849    H    ALA 108           H        ALA 108   1.151  12.006   1.767
  850    HA   ALA 108           HA       ALA 108  -1.220  13.469   1.806
  851   1HB   ALA 108          1HB       ALA 108  -0.021  15.400   2.303
  852   2HB   ALA 108          2HB       ALA 108   0.881  13.970   3.076
  853   3HB   ALA 108          3HB       ALA 108   1.585  14.692   1.693
  854    H    LYS 109           H        LYS 109   1.329  13.925  -0.595
  855    HA   LYS 109           HA       LYS 109  -0.057  15.583  -2.455
  856   1HB   LYS 109          1HB       LYS 109   2.341  13.776  -2.942
  857   2HB   LYS 109          2HB       LYS 109   1.464  14.636  -4.153
  858   1HG   LYS 109          1HG       LYS 109   2.123  16.713  -2.945
  859   2HG   LYS 109          2HG       LYS 109   2.682  15.885  -1.506
  860   1HD   LYS 109          1HD       LYS 109   4.480  14.904  -2.456
  861   2HD   LYS 109          2HD       LYS 109   4.181  15.574  -4.123
  862   1HE   LYS 109          1HE       LYS 109   4.370  17.951  -2.805
  863   2HE   LYS 109          2HE       LYS 109   4.964  16.974  -1.510
  864   1HZ   LYS 109          1HZ       LYS 109   6.900  16.402  -2.850
  865   2HZ   LYS 109          2HZ       LYS 109   6.320  17.042  -4.119
  866    H    HIS 110           H        HIS 110  -0.402  12.032  -2.306
  867    HA   HIS 110           HA       HIS 110  -1.991  11.913  -4.774
  868   1HB   HIS 110          1HB       HIS 110  -1.231   9.756  -2.624
  869   2HB   HIS 110          2HB       HIS 110  -2.428   9.508  -3.857
  870    HD1  HIS 110           1HD      HIS 110  -1.018  10.696  -6.519
  871    HD2  HIS 110           2HD      HIS 110   1.108   8.822  -3.305
  872    HE1  HIS 110           1HE      HIS 110   1.137   9.968  -7.355
  873    H    ALA 111           H        ALA 111  -2.665  11.752  -1.426
  874    HA   ALA 111           HA       ALA 111  -5.533  11.271  -1.507
  875   1HB   ALA 111          1HB       ALA 111  -5.592  11.458   0.849
  876   2HB   ALA 111          2HB       ALA 111  -4.173  10.463   0.292
  877   3HB   ALA 111          3HB       ALA 111  -3.876  12.073   0.940
  878    H    THR 112           H        THR 112  -3.819  14.205  -0.711
  879    HA   THR 112           HA       THR 112  -5.949  16.164  -0.486
  880    HB   THR 112           HB       THR 112  -3.139  16.784  -1.219
  881    HG1  THR 112           1HG      THR 112  -3.059  15.695   0.771
  882   1HG2  THR 112          1HG2      THR 112  -4.217  18.863  -1.630
  883   2HG2  THR 112          2HG2      THR 112  -5.161  18.827  -0.101
  884   3HG2  THR 112          3HG2      THR 112  -3.371  18.867  -0.069
  885    H    ALA 113           H        ALA 113  -4.060  15.403  -3.494
  886    HA   ALA 113           HA       ALA 113  -6.002  16.750  -5.321
  887   1HB   ALA 113          1HB       ALA 113  -3.849  14.557  -5.794
  888   2HB   ALA 113          2HB       ALA 113  -4.503  15.399  -7.183
  889   3HB   ALA 113          3HB       ALA 113  -3.420  16.262  -6.008
  890    HXT  ALA 113           HO       ALA 113  -8.101  14.333  -6.459
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1 -11.440   9.748  17.493
    2   2H    ALA   1          2H        ALA   1 -10.151   9.589  18.594
    3    HA   ALA   1           HA       ALA   1  -8.884   8.432  17.070
    4   1HB   ALA   1          1HB       ALA   1 -10.369   6.327  17.160
    5   2HB   ALA   1          2HB       ALA   1 -10.257   6.957  18.668
    6   3HB   ALA   1          3HB       ALA   1 -11.710   7.170  17.650
    7    H    GLU   2           H        GLU   2  -8.433   8.716  14.910
    8    HA   GLU   2           HA       GLU   2 -10.569   8.967  12.696
    9   1HB   GLU   2          1HB       GLU   2 -10.484  11.279  13.820
   10   2HB   GLU   2          2HB       GLU   2  -8.712  11.139  13.963
   11   1HG   GLU   2          1HG       GLU   2  -9.089  11.022  11.250
   12   2HG   GLU   2          2HG       GLU   2 -10.518  12.001  11.717
   13    HE2  GLU   2           HE       GLU   2  -6.758  13.227  12.200
   14    H    GLU   3           H        GLU   3  -9.782   7.216  11.640
   15    HA   GLU   3           HA       GLU   3  -6.962   7.238  10.701
   16   1HB   GLU   3          1HB       GLU   3  -6.008   5.205  11.763
   17   2HB   GLU   3          2HB       GLU   3  -6.495   6.524  12.951
   18   1HG   GLU   3          1HG       GLU   3  -8.313   4.162  12.461
   19   2HG   GLU   3          2HG       GLU   3  -7.025   3.952  13.495
   20    HE2  GLU   3           HE       GLU   3 -10.189   5.662  14.896
   21    H    GLY   4           H        GLY   4  -6.284   5.663   9.599
   22   1HA   GLY   4          1HA       GLY   4  -7.918   3.823   7.868
   23   2HA   GLY   4          2HA       GLY   4  -6.204   4.134   7.680
   24    H    GLN   5           H        GLN   5  -6.173   1.890   7.583
   25    HA   GLN   5           HA       GLN   5  -5.496   0.579  10.226
   26   1HB   GLN   5          1HB       GLN   5  -7.208  -1.147   9.971
   27   2HB   GLN   5          2HB       GLN   5  -7.994   0.409   9.786
   28   1HG   GLN   5          1HG       GLN   5  -7.800  -0.199   7.064
   29   2HG   GLN   5          2HG       GLN   5  -7.102  -1.637   7.516
   30   1HE2  GLN   5          1HE2      GLN   5  -8.526  -3.222   8.835
   31   2HE2  GLN   5          2HE2      GLN   5 -10.267  -3.070   8.347
   32    H    VAL   6           H        VAL   6  -3.522  -0.058   9.877
   33    HA   VAL   6           HA       VAL   6  -2.430  -0.995   7.218
   34    HB   VAL   6           HB       VAL   6  -0.811  -0.505   9.777
   35   1HG1  VAL   6          1HG1      VAL   6   1.187  -1.021   8.757
   36   2HG1  VAL   6          2HG1      VAL   6   0.226  -2.436   8.649
   37   3HG1  VAL   6          3HG1      VAL   6   0.382  -1.439   7.169
   38   1HG2  VAL   6          1HG2      VAL   6  -0.661   0.796   6.978
   39   2HG2  VAL   6          2HG2      VAL   6  -1.617   1.461   8.374
   40   3HG2  VAL   6          3HG2      VAL   6   0.092   1.323   8.497
   41    H    ILE   7           H        ILE   7  -2.970  -2.852   6.941
   42    HA   ILE   7           HA       ILE   7  -2.957  -5.160   8.872
   43    HB   ILE   7           HB       ILE   7  -5.080  -3.930   7.809
   44   1HG1  ILE   7          1HG1      ILE   7  -5.660  -5.834   9.317
   45   2HG1  ILE   7          2HG1      ILE   7  -6.566  -5.962   7.919
   46   1HG2  ILE   7          1HG2      ILE   7  -4.441  -4.135   5.405
   47   2HG2  ILE   7          2HG2      ILE   7  -4.920  -5.792   5.451
   48   3HG2  ILE   7          3HG2      ILE   7  -6.055  -4.532   5.738
   49   1HD1  ILE   7          1HD1      ILE   7  -5.670  -8.118   8.585
   50   2HD1  ILE   7          2HD1      ILE   7  -4.876  -7.598   7.135
   51   3HD1  ILE   7          3HD1      ILE   7  -4.016  -7.591   8.670
   52    H    ALA   8           H        ALA   8  -2.103  -6.947   8.365
   53    HA   ALA   8           HA       ALA   8  -0.076  -7.375   6.374
   54   1HB   ALA   8          1HB       ALA   8   0.242  -9.692   7.658
   55   2HB   ALA   8          2HB       ALA   8   0.164  -8.421   8.719
   56   3HB   ALA   8          3HB       ALA   8  -1.285  -9.385   8.479
   57    H    CYS   9           H        CYS   9  -0.358  -8.768   4.564
   58    HA   CYS   9           HA       CYS   9  -2.923 -10.077   3.884
   59   1HB   CYS   9          1HB       CYS   9  -1.247  -8.067   2.214
   60   2HB   CYS   9          2HB       CYS   9  -2.642  -9.003   1.738
   61    HG   CYS   9           HG       CYS   9  -4.400  -7.561   2.605
   62    H    HIS  10           H        HIS  10  -2.515 -11.722   2.296
   63    HA   HIS  10           HA       HIS  10   0.180 -13.035   1.833
   64   1HB   HIS  10          1HB       HIS  10  -1.895 -14.189   3.746
   65   2HB   HIS  10          2HB       HIS  10  -0.677 -15.143   3.118
   66    HD1  HIS  10           1HD      HIS  10   2.038 -14.245   3.757
   67    HD2  HIS  10           2HD      HIS  10  -1.440 -13.021   6.009
   68    HE1  HIS  10           1HE      HIS  10   2.785 -12.772   5.726
   69    H    THR  11           H        THR  11  -3.071 -12.833   0.388
   70    HA   THR  11           HA       THR  11  -2.839 -15.481  -0.769
   71    HB   THR  11           HB       THR  11  -4.971 -16.168   0.093
   72    HG1  THR  11           1HG      THR  11  -4.744 -15.131   2.546
   73   1HG2  THR  11          1HG2      THR  11  -3.280 -17.650   1.041
   74   2HG2  THR  11          2HG2      THR  11  -2.819 -16.452   2.045
   75   3HG2  THR  11          3HG2      THR  11  -4.428 -17.179   2.327
   76    H    VAL  12           H        VAL  12  -5.343 -15.795  -1.703
   77    HA   VAL  12           HA       VAL  12  -6.056 -13.608  -3.505
   78    HB   VAL  12           HB       VAL  12  -6.233 -16.020  -4.217
   79   1HG1  VAL  12          1HG1      VAL  12  -8.576 -16.337  -2.253
   80   2HG1  VAL  12          2HG1      VAL  12  -8.114 -17.454  -3.520
   81   3HG1  VAL  12          3HG1      VAL  12  -7.063 -17.213  -2.140
   82   1HG2  VAL  12          1HG2      VAL  12  -7.572 -14.305  -5.459
   83   2HG2  VAL  12          2HG2      VAL  12  -8.470 -15.808  -5.390
   84   3HG2  VAL  12          3HG2      VAL  12  -8.908 -14.599  -4.208
   85    H    ASP  13           H        ASP  13  -6.704 -14.152  -0.370
   86    HA   ASP  13           HA       ASP  13  -9.295 -12.770  -0.040
   87   1HB   ASP  13          1HB       ASP  13  -7.157 -13.396   2.164
   88   2HB   ASP  13          2HB       ASP  13  -8.700 -12.541   2.535
   89    HD2  ASP  13           HD       ASP  13  -7.254 -15.378   2.139
   90    H    THR  14           H        THR  14  -6.128 -11.747  -0.044
   91    HA   THR  14           HA       THR  14  -6.738  -8.900   0.497
   92    HB   THR  14           HB       THR  14  -4.386 -10.069   0.755
   93    HG1  THR  14           1HG      THR  14  -3.659  -8.045   0.675
   94   1HG2  THR  14          1HG2      THR  14  -3.989 -10.556  -1.854
   95   2HG2  THR  14          2HG2      THR  14  -3.857  -8.699  -1.908
   96   3HG2  THR  14          3HG2      THR  14  -2.777  -9.753  -0.956
   97    H    TRP  15           H        TRP  15  -6.601 -10.818  -2.245
   98    HA   TRP  15           HA       TRP  15  -7.064  -8.690  -4.343
   99   1HB   TRP  15          1HB       TRP  15  -7.743 -11.627  -4.343
  100   2HB   TRP  15          2HB       TRP  15  -8.619 -10.592  -5.337
  101    HD1  TRP  15           HD       TRP  15  -4.827 -11.531  -4.794
  102    HE1  TRP  15           1HE      TRP  15  -3.669 -11.317  -7.275
  103    HE3  TRP  15           3HE      TRP  15  -8.811  -9.725  -7.416
  104    HZ2  TRP  15           2HZ      TRP  15  -4.589 -10.685  -9.878
  105    HZ3  TRP  15           3HZ      TRP  15  -8.696  -9.497  -9.982
  106    HH2  TRP  15           HH       TRP  15  -6.750 -10.013 -11.122
  107    H    LYS  16           H        LYS  16  -9.322 -10.518  -2.247
  108    HA   LYS  16           HA       LYS  16 -11.680  -8.893  -2.920
  109   1HB   LYS  16          1HB       LYS  16 -11.118 -10.481  -0.244
  110   2HB   LYS  16          2HB       LYS  16 -12.654  -9.889  -0.833
  111   1HG   LYS  16          1HG       LYS  16 -12.555 -11.407  -2.824
  112   2HG   LYS  16          2HG       LYS  16 -11.081 -12.184  -2.184
  113   1HD   LYS  16          1HD       LYS  16 -13.913 -11.991  -0.732
  114   2HD   LYS  16          2HD       LYS  16 -13.509 -13.252  -1.725
  115   1HE   LYS  16          1HE       LYS  16 -11.346 -13.714  -0.210
  116   2HE   LYS  16          2HE       LYS  16 -12.100 -12.602   0.903
  117   1HZ   LYS  16          1HZ       LYS  16 -12.739 -14.856   1.481
  118   2HZ   LYS  16          2HZ       LYS  16 -13.990 -13.931   1.027
  119    H    GLU  17           H        GLU  17  -9.310  -8.323  -0.379
  120    HA   GLU  17           HA       GLU  17 -10.559  -5.976   0.812
  121   1HB   GLU  17          1HB       GLU  17  -7.609  -6.746   0.994
  122   2HB   GLU  17          2HB       GLU  17  -8.517  -5.500   1.942
  123   1HG   GLU  17          1HG       GLU  17  -9.814  -7.006   3.225
  124   2HG   GLU  17          2HG       GLU  17  -9.622  -8.329   2.138
  125    HE2  GLU  17           HE       GLU  17  -6.815  -9.563   3.747
  126    H    HIS  18           H        HIS  18  -7.600  -6.055  -1.356
  127    HA   HIS  18           HA       HIS  18  -7.117  -3.445  -1.703
  128   1HB   HIS  18          1HB       HIS  18  -5.744  -5.402  -2.067
  129   2HB   HIS  18          2HB       HIS  18  -6.726  -6.020  -3.334
  130    HD1  HIS  18           1HD      HIS  18  -6.841  -2.974  -4.945
  131    HD2  HIS  18           2HD      HIS  18  -3.916  -5.852  -4.009
  132    HE1  HIS  18           1HE      HIS  18  -5.089  -2.996  -6.734
  133    H    PHE  19           H        PHE  19  -8.948  -5.448  -3.748
  134    HA   PHE  19           HA       PHE  19  -9.703  -3.476  -5.802
  135   1HB   PHE  19          1HB       PHE  19 -10.468  -6.478  -5.588
  136   2HB   PHE  19          2HB       PHE  19 -11.014  -5.504  -6.848
  137    HD1  PHE  19           1HD      PHE  19 -10.014  -5.146  -8.829
  138    HD2  PHE  19           2HD      PHE  19  -7.622  -6.820  -5.640
  139    HE1  PHE  19           1HE      PHE  19  -8.061  -5.046 -10.265
  140    HE2  PHE  19           2HE      PHE  19  -5.809  -6.692  -6.931
  141    HZ   PHE  19           HZ       PHE  19  -5.812  -5.584  -9.201
  142    H    GLU  20           H        GLU  20 -11.934  -5.403  -3.585
  143    HA   GLU  20           HA       GLU  20 -14.346  -4.057  -4.091
  144   1HB   GLU  20          1HB       GLU  20 -13.723  -5.661  -1.614
  145   2HB   GLU  20          2HB       GLU  20 -15.206  -5.015  -2.012
  146   1HG   GLU  20          1HG       GLU  20 -13.602  -7.318  -3.351
  147   2HG   GLU  20          2HG       GLU  20 -15.083  -7.530  -2.383
  148    HE2  GLU  20           HE       GLU  20 -15.276  -6.130  -6.179
  149    H    LYS  21           H        LYS  21 -11.956  -3.326  -1.321
  150    HA   LYS  21           HA       LYS  21 -13.270  -0.861  -0.287
  151   1HB   LYS  21          1HB       LYS  21 -10.388  -1.572  -0.252
  152   2HB   LYS  21          2HB       LYS  21 -10.989  -0.186   0.466
  153   1HG   LYS  21          1HG       LYS  21 -11.881  -3.176   1.054
  154   2HG   LYS  21          2HG       LYS  21 -10.568  -2.325   1.883
  155   1HD   LYS  21          1HD       LYS  21 -12.685  -0.553   2.371
  156   2HD   LYS  21          2HD       LYS  21 -13.693  -1.996   1.982
  157   1HE   LYS  21          1HE       LYS  21 -13.424  -2.025   4.368
  158   2HE   LYS  21          2HE       LYS  21 -12.329  -3.267   3.751
  159   1HZ   LYS  21          1HZ       LYS  21 -11.470  -0.599   4.647
  160   2HZ   LYS  21          2HZ       LYS  21 -11.265  -1.944   5.444
  161    H    GLY  22           H        GLY  22 -10.382  -0.983  -2.461
  162   1HA   GLY  22          1HA       GLY  22 -10.061   1.438  -3.356
  163   2HA   GLY  22          2HA       GLY  22  -9.875  -0.040  -4.397
  164    H    LYS  23           H        LYS  23 -11.397  -0.537  -5.878
  165    HA   LYS  23           HA       LYS  23 -13.514   1.406  -6.793
  166   1HB   LYS  23          1HB       LYS  23 -12.413   0.195  -8.560
  167   2HB   LYS  23          2HB       LYS  23 -12.500  -1.372  -7.740
  168   1HG   LYS  23          1HG       LYS  23 -15.207   0.104  -8.321
  169   2HG   LYS  23          2HG       LYS  23 -14.099   0.056  -9.655
  170   1HD   LYS  23          1HD       LYS  23 -15.372  -2.465  -8.258
  171   2HD   LYS  23          2HD       LYS  23 -15.601  -1.838  -9.975
  172   1HE   LYS  23          1HE       LYS  23 -13.004  -3.101  -8.926
  173   2HE   LYS  23          2HE       LYS  23 -14.356  -3.915  -9.634
  174   1HZ   LYS  23          1HZ       LYS  23 -14.098  -2.927 -11.631
  175   2HZ   LYS  23          2HZ       LYS  23 -13.213  -1.785 -10.980
  176    H    GLY  24           H        GLY  24 -14.662   1.554  -5.071
  177   1HA   GLY  24          1HA       GLY  24 -17.230  -0.062  -4.958
  178   2HA   GLY  24          2HA       GLY  24 -16.200  -0.479  -3.553
  179    H    SER  25           H        SER  25 -14.969   1.750  -3.114
  180    HA   SER  25           HA       SER  25 -16.937   3.637  -2.023
  181   1HB   SER  25          1HB       SER  25 -14.907   2.110  -0.316
  182   2HB   SER  25          2HB       SER  25 -15.857   3.485   0.092
  183    HG   SER  25           HG       SER  25 -16.542   1.193   0.572
  184    H    GLN  26           H        GLN  26 -16.376   5.628  -1.856
  185    HA   GLN  26           HA       GLN  26 -14.212   6.828  -3.492
  186   1HB   GLN  26          1HB       GLN  26 -16.462   8.027  -1.671
  187   2HB   GLN  26          2HB       GLN  26 -15.059   8.959  -2.349
  188   1HG   GLN  26          1HG       GLN  26 -17.008   9.225  -3.753
  189   2HG   GLN  26          2HG       GLN  26 -15.788   8.425  -4.678
  190   1HE2  GLN  26          1HE2      GLN  26 -16.467   6.652  -5.783
  191   2HE2  GLN  26          2HE2      GLN  26 -18.069   5.954  -5.368
  192    H    LYS  27           H        LYS  27 -12.595   5.539  -2.330
  193    HA   LYS  27           HA       LYS  27 -11.031   7.371  -0.512
  194   1HB   LYS  27          1HB       LYS  27 -10.717   5.392   1.148
  195   2HB   LYS  27          2HB       LYS  27 -12.367   5.937   1.008
  196   1HG   LYS  27          1HG       LYS  27 -12.987   3.939  -0.004
  197   2HG   LYS  27          2HG       LYS  27 -11.377   3.571  -0.678
  198   1HD   LYS  27          1HD       LYS  27 -11.880   1.864   1.398
  199   2HD   LYS  27          2HD       LYS  27 -10.738   3.196   1.862
  200   1HE   LYS  27          1HE       LYS  27 -12.657   4.378   2.813
  201   2HE   LYS  27          2HE       LYS  27 -13.854   3.075   2.357
  202   1HZ   LYS  27          1HZ       LYS  27 -11.881   3.242   4.615
  203   2HZ   LYS  27          2HZ       LYS  27 -13.109   2.116   4.411
  204    H    LEU  28           H        LEU  28  -8.982   6.868  -0.562
  205    HA   LEU  28           HA       LEU  28  -7.544   5.698  -2.893
  206   1HB   LEU  28          1HB       LEU  28  -6.870   7.974  -1.913
  207   2HB   LEU  28          2HB       LEU  28  -6.513   7.074  -0.520
  208    HG   LEU  28           HG       LEU  28  -4.607   5.818  -1.811
  209   1HD1  LEU  28          1HD1      LEU  28  -5.424   6.090  -4.180
  210   2HD1  LEU  28          2HD1      LEU  28  -5.251   7.874  -4.092
  211   3HD1  LEU  28          3HD1      LEU  28  -3.879   6.768  -4.116
  212   1HD2  LEU  28          1HD2      LEU  28  -4.381   8.870  -1.842
  213   2HD2  LEU  28          2HD2      LEU  28  -4.259   8.015  -0.342
  214   3HD2  LEU  28          3HD2      LEU  28  -3.135   7.728  -1.650
  215    H    ILE  29           H        ILE  29  -6.162   3.870  -2.513
  216    HA   ILE  29           HA       ILE  29  -5.989   2.526   0.106
  217    HB   ILE  29           HB       ILE  29  -6.776   0.367  -0.397
  218   1HG1  ILE  29          1HG1      ILE  29  -8.197   0.061  -2.521
  219   2HG1  ILE  29          2HG1      ILE  29  -7.264   1.264  -3.266
  220   1HG2  ILE  29          1HG2      ILE  29  -9.209   0.553  -0.612
  221   2HG2  ILE  29          2HG2      ILE  29  -8.668   1.832   0.452
  222   3HG2  ILE  29          3HG2      ILE  29  -8.973   2.211  -1.244
  223   1HD1  ILE  29          1HD1      ILE  29  -5.165  -0.333  -2.810
  224   2HD1  ILE  29          2HD1      ILE  29  -6.274  -1.368  -1.949
  225   3HD1  ILE  29          3HD1      ILE  29  -6.412  -1.221  -3.682
  226    H    VAL  30           H        VAL  30  -4.024   1.642   0.355
  227    HA   VAL  30           HA       VAL  30  -1.864   2.251  -1.753
  228    HB   VAL  30           HB       VAL  30  -1.906   3.051   1.040
  229   1HG1  VAL  30          1HG1      VAL  30   0.283   2.598   0.494
  230   2HG1  VAL  30          2HG1      VAL  30   0.336   3.686  -1.058
  231   3HG1  VAL  30          3HG1      VAL  30   0.219   4.479   0.656
  232   1HG2  VAL  30          1HG2      VAL  30  -1.890   5.658   0.077
  233   2HG2  VAL  30          2HG2      VAL  30  -2.467   4.774  -1.391
  234   3HG2  VAL  30          3HG2      VAL  30  -3.370   4.705   0.203
  235    H    VAL  31           H        VAL  31  -0.942   0.490  -1.957
  236    HA   VAL  31           HA       VAL  31  -0.864  -1.720  -0.010
  237    HB   VAL  31           HB       VAL  31  -2.562  -2.284  -1.026
  238   1HG1  VAL  31          1HG1      VAL  31  -1.680  -1.470  -3.892
  239   2HG1  VAL  31          2HG1      VAL  31  -3.094  -2.532  -3.543
  240   3HG1  VAL  31          3HG1      VAL  31  -3.050  -0.833  -2.959
  241   1HG2  VAL  31          1HG2      VAL  31  -2.075  -4.288  -2.559
  242   2HG2  VAL  31          2HG2      VAL  31  -0.380  -3.611  -2.772
  243   3HG2  VAL  31          3HG2      VAL  31  -0.889  -4.274  -1.124
  244    H    ASP  32           H        ASP  32   1.155  -1.654   0.582
  245    HA   ASP  32           HA       ASP  32   3.477  -1.644  -1.030
  246   1HB   ASP  32          1HB       ASP  32   3.218  -1.147   1.555
  247   2HB   ASP  32          2HB       ASP  32   3.289  -2.904   1.873
  248    HD2  ASP  32           HD       ASP  32   6.649  -1.374   0.214
  249    H    PHE  33           H        PHE  33   4.952  -3.230  -1.637
  250    HA   PHE  33           HA       PHE  33   4.232  -6.132  -1.719
  251   1HB   PHE  33          1HB       PHE  33   5.079  -3.887  -3.892
  252   2HB   PHE  33          2HB       PHE  33   5.221  -5.634  -4.185
  253    HD1  PHE  33           1HD      PHE  33   3.201  -7.236  -3.681
  254    HD2  PHE  33           2HD      PHE  33   2.910  -3.154  -4.744
  255    HE1  PHE  33           1HE      PHE  33   0.889  -7.655  -4.488
  256    HE2  PHE  33           2HE      PHE  33   0.448  -3.635  -5.541
  257    HZ   PHE  33           HZ       PHE  33  -0.431  -5.739  -5.354
  258    H    THR  34           H        THR  34   5.919  -6.801  -0.150
  259    HA   THR  34           HA       THR  34   8.643  -5.803  -0.588
  260    HB   THR  34           HB       THR  34   7.722  -4.128   0.947
  261    HG1  THR  34           1HG      THR  34   9.412  -5.920   2.378
  262   1HG2  THR  34          1HG2      THR  34   7.205  -6.329   3.036
  263   2HG2  THR  34          2HG2      THR  34   7.084  -4.463   3.216
  264   3HG2  THR  34          3HG2      THR  34   5.997  -5.259   2.120
  265    H    ALA  35           H        ALA  35   9.756  -7.383   0.603
  266    HA   ALA  35           HA       ALA  35   8.777 -10.133   1.109
  267   1HB   ALA  35          1HB       ALA  35  11.112 -10.703   0.922
  268   2HB   ALA  35          2HB       ALA  35  10.668  -9.681  -0.346
  269   3HB   ALA  35          3HB       ALA  35  11.565  -8.937   0.925
  270    H    SER  36           H        SER  36   9.287 -11.175   3.004
  271    HA   SER  36           HA       SER  36   9.132  -9.641   5.447
  272   1HB   SER  36          1HB       SER  36   8.350 -12.219   5.158
  273   2HB   SER  36          2HB       SER  36   9.941 -12.637   5.039
  274    HG   SER  36           HG       SER  36   8.569 -11.959   7.233
  275    H    TRP  37           H        TRP  37  11.792 -11.492   4.100
  276    HA   TRP  37           HA       TRP  37  13.953 -10.471   5.719
  277   1HB   TRP  37          1HB       TRP  37  15.352 -11.058   3.617
  278   2HB   TRP  37          2HB       TRP  37  14.630 -12.345   4.512
  279    HD1  TRP  37           HD       TRP  37  12.499 -13.393   3.385
  280    HE1  TRP  37           1HE      TRP  37  12.025 -14.171   0.687
  281    HE3  TRP  37           3HE      TRP  37  15.890 -10.406   1.373
  282    HZ2  TRP  37           2HZ      TRP  37  13.084 -13.049  -1.754
  283    HZ3  TRP  37           3HZ      TRP  37  16.060 -10.103  -1.118
  284    HH2  TRP  37           HH       TRP  37  14.802 -11.534  -2.558
  285    H    CYS  38           H        CYS  38  13.272  -8.018   5.899
  286    HA   CYS  38           HA       CYS  38  14.954  -6.277   4.140
  287   1HB   CYS  38          1HB       CYS  38  12.851  -6.712   2.889
  288   2HB   CYS  38          2HB       CYS  38  11.919  -5.896   4.134
  289    HG   CYS  38           HG       CYS  38  12.769  -4.282   1.947
  290    HA   PRO  39           HA       PRO  39  14.634  -4.483   8.499
  291   1HB   PRO  39          1HB       PRO  39  17.359  -3.481   7.585
  292   2HB   PRO  39          2HB       PRO  39  16.910  -3.974   9.130
  293   1HG   PRO  39          1HG       PRO  39  18.296  -5.670   7.440
  294   2HG   PRO  39          2HG       PRO  39  16.983  -6.470   8.267
  295   1HD   PRO  39          1HD       PRO  39  16.971  -5.431   5.397
  296   2HD   PRO  39          2HD       PRO  39  16.520  -6.979   6.122
  297    HA   PRO  40           HA       PRO  40  14.862  -0.273   5.823
  298   1HB   PRO  40          1HB       PRO  40  14.219  -1.386   3.135
  299   2HB   PRO  40          2HB       PRO  40  15.006   0.118   3.464
  300   1HG   PRO  40          1HG       PRO  40  16.478  -2.169   2.861
  301   2HG   PRO  40          2HG       PRO  40  17.128  -1.187   4.173
  302   1HD   PRO  40          1HD       PRO  40  15.590  -3.689   4.465
  303   2HD   PRO  40          2HD       PRO  40  17.028  -2.994   5.394
  304    H    CYS  41           H        CYS  41  12.674  -2.670   4.760
  305    HA   CYS  41           HA       CYS  41  10.314  -0.927   5.160
  306   1HB   CYS  41          1HB       CYS  41  10.072  -3.782   4.518
  307   2HB   CYS  41          2HB       CYS  41   8.891  -2.716   4.127
  308    HG   CYS  41           HG       CYS  41  10.146  -1.498   2.232
  309    H    LYS  42           H        LYS  42  12.100  -3.190   7.001
  310    HA   LYS  42           HA       LYS  42  10.003  -3.541   9.040
  311   1HB   LYS  42          1HB       LYS  42  11.886  -4.864   9.068
  312   2HB   LYS  42          2HB       LYS  42  12.963  -3.595   9.748
  313   1HG   LYS  42          1HG       LYS  42  11.603  -3.575  11.831
  314   2HG   LYS  42          2HG       LYS  42  10.284  -4.428  10.997
  315   1HD   LYS  42          1HD       LYS  42  11.828  -6.319  10.630
  316   2HD   LYS  42          2HD       LYS  42  12.982  -5.524  11.623
  317   1HE   LYS  42          1HE       LYS  42  11.858  -7.315  12.830
  318   2HE   LYS  42          2HE       LYS  42  11.800  -5.777  13.624
  319   1HZ   LYS  42          1HZ       LYS  42   9.459  -5.539  13.171
  320   2HZ   LYS  42          2HZ       LYS  42   9.465  -6.908  12.230
  321    H    MET  43           H        MET  43  12.474  -0.737   8.859
  322    HA   MET  43           HA       MET  43  10.871   0.861  10.761
  323   1HB   MET  43          1HB       MET  43  12.379   2.636  10.285
  324   2HB   MET  43          2HB       MET  43  13.365   1.245  10.493
  325   1HG   MET  43          1HG       MET  43  13.495   1.003   7.919
  326   2HG   MET  43          2HG       MET  43  12.682   2.450   7.669
  327   1HE   MET  43          1HE       MET  43  16.631   3.001   7.324
  328   2HE   MET  43          2HE       MET  43  15.495   1.789   6.824
  329   3HE   MET  43          3HE       MET  43  15.123   3.482   6.326
  330    H    ILE  44           H        ILE  44  10.835   0.981   7.159
  331    HA   ILE  44           HA       ILE  44   8.692   2.767   7.205
  332    HB   ILE  44           HB       ILE  44   9.986   1.357   5.084
  333   1HG1  ILE  44          1HG1      ILE  44   8.839   2.878   3.584
  334   2HG1  ILE  44          2HG1      ILE  44   7.539   3.203   4.763
  335   1HG2  ILE  44          1HG2      ILE  44   7.078   0.642   4.814
  336   2HG2  ILE  44          2HG2      ILE  44   8.480   0.303   3.604
  337   3HG2  ILE  44          3HG2      ILE  44   8.266  -0.520   5.184
  338   1HD1  ILE  44          1HD1      ILE  44   9.470   4.435   6.221
  339   2HD1  ILE  44          2HD1      ILE  44  10.569   3.795   4.909
  340   3HD1  ILE  44          3HD1      ILE  44   9.306   5.098   4.612
  341    H    ALA  45           H        ALA  45   8.174  -0.489   8.095
  342    HA   ALA  45           HA       ALA  45   5.254  -0.673   7.959
  343   1HB   ALA  45          1HB       ALA  45   6.273  -2.309  10.252
  344   2HB   ALA  45          2HB       ALA  45   5.055  -2.575   9.022
  345   3HB   ALA  45          3HB       ALA  45   6.751  -2.752   8.499
  346    HA   PRO  46           HA       PRO  46   5.108   1.700  12.406
  347   1HB   PRO  46          1HB       PRO  46   7.904   2.772  12.154
  348   2HB   PRO  46          2HB       PRO  46   7.037   2.475  13.633
  349   1HG   PRO  46          1HG       PRO  46   8.909   0.693  12.872
  350   2HG   PRO  46          2HG       PRO  46   7.337   0.177  13.414
  351   1HD   PRO  46          1HD       PRO  46   8.154   0.217  10.538
  352   2HD   PRO  46          2HD       PRO  46   7.309  -1.005  11.419
  353    H    ILE  47           H        ILE  47   7.074   3.113   9.778
  354    HA   ILE  47           HA       ILE  47   6.034   5.814   9.913
  355    HB   ILE  47           HB       ILE  47   7.563   4.671   7.508
  356   1HG1  ILE  47          1HG1      ILE  47   8.810   4.746   9.551
  357   2HG1  ILE  47          2HG1      ILE  47   9.409   5.958   8.322
  358   1HG2  ILE  47          1HG2      ILE  47   6.054   6.571   6.691
  359   2HG2  ILE  47          2HG2      ILE  47   6.825   7.604   7.943
  360   3HG2  ILE  47          3HG2      ILE  47   7.826   6.871   6.753
  361   1HD1  ILE  47          1HD1      ILE  47   9.489   6.753  10.679
  362   2HD1  ILE  47          2HD1      ILE  47   8.350   7.795   9.908
  363   3HD1  ILE  47          3HD1      ILE  47   7.784   6.384  11.002
  364    H    PHE  48           H        PHE  48   4.965   3.160   8.180
  365    HA   PHE  48           HA       PHE  48   2.618   4.223   6.576
  366   1HB   PHE  48          1HB       PHE  48   4.040   2.055   6.201
  367   2HB   PHE  48          2HB       PHE  48   2.923   1.233   7.412
  368    HD1  PHE  48           1HD      PHE  48   2.299  -0.302   5.764
  369    HD2  PHE  48           2HD      PHE  48   2.423   3.809   4.505
  370    HE1  PHE  48           1HE      PHE  48   0.906  -0.875   3.910
  371    HE2  PHE  48           2HE      PHE  48   1.318   3.203   2.483
  372    HZ   PHE  48           HZ       PHE  48   0.489   0.769   2.127
  373    H    ALA  49           H        ALA  49   2.965   2.629   9.886
  374    HA   ALA  49           HA       ALA  49   0.234   2.817  10.551
  375   1HB   ALA  49          1HB       ALA  49   1.487   1.031  11.469
  376   2HB   ALA  49          2HB       ALA  49   2.619   2.172  12.291
  377   3HB   ALA  49          3HB       ALA  49   0.888   2.087  12.819
  378    H    GLU  50           H        GLU  50   2.937   4.975  11.480
  379    HA   GLU  50           HA       GLU  50   1.347   7.111  12.779
  380   1HB   GLU  50          1HB       GLU  50   3.840   6.664  12.759
  381   2HB   GLU  50          2HB       GLU  50   3.893   7.449  11.281
  382   1HG   GLU  50          1HG       GLU  50   2.745   8.865  13.742
  383   2HG   GLU  50          2HG       GLU  50   4.372   8.918  13.452
  384    HE2  GLU  50           HE       GLU  50   2.072  11.536  12.037
  385    H    LEU  51           H        LEU  51   2.491   7.267   9.393
  386    HA   LEU  51           HA       LEU  51   0.588   9.136   8.550
  387   1HB   LEU  51          1HB       LEU  51   2.596   8.252   7.405
  388   2HB   LEU  51          2HB       LEU  51   1.790   6.747   7.101
  389    HG   LEU  51           HG       LEU  51   2.187   8.605   5.276
  390   1HD1  LEU  51          1HD1      LEU  51  -0.285   6.776   5.709
  391   2HD1  LEU  51          2HD1      LEU  51  -0.085   7.878   4.216
  392   3HD1  LEU  51          3HD1      LEU  51   1.219   6.612   4.570
  393   1HD2  LEU  51          1HD2      LEU  51   1.018  10.498   6.436
  394   2HD2  LEU  51          2HD2      LEU  51   0.404  10.188   4.778
  395   3HD2  LEU  51          3HD2      LEU  51  -0.479   9.695   6.234
  396    H    ALA  52           H        ALA  52  -0.445   5.621   8.919
  397    HA   ALA  52           HA       ALA  52  -3.165   5.985   7.933
  398   1HB   ALA  52          1HB       ALA  52  -1.834   3.823   8.309
  399   2HB   ALA  52          2HB       ALA  52  -2.030   3.906  10.070
  400   3HB   ALA  52          3HB       ALA  52  -3.472   3.805   8.943
  401    H    LYS  53           H        LYS  53  -1.864   6.724  10.987
  402    HA   LYS  53           HA       LYS  53  -4.376   7.405  12.335
  403   1HB   LYS  53          1HB       LYS  53  -1.409   7.538  13.200
  404   2HB   LYS  53          2HB       LYS  53  -2.540   8.580  14.103
  405   1HG   LYS  53          1HG       LYS  53  -3.873   6.469  14.653
  406   2HG   LYS  53          2HG       LYS  53  -2.853   5.511  13.463
  407   1HD   LYS  53          1HD       LYS  53  -1.732   7.013  15.919
  408   2HD   LYS  53          2HD       LYS  53  -2.468   5.406  16.229
  409   1HE   LYS  53          1HE       LYS  53  -0.995   4.358  14.579
  410   2HE   LYS  53          2HE       LYS  53  -0.248   5.831  14.091
  411   1HZ   LYS  53          1HZ       LYS  53   1.164   4.800  15.705
  412   2HZ   LYS  53          2HZ       LYS  53   0.431   6.133  16.456
  413    H    LYS  54           H        LYS  54  -2.089   9.124  10.488
  414    HA   LYS  54           HA       LYS  54  -2.995  11.864  11.048
  415   1HB   LYS  54          1HB       LYS  54  -0.736  11.087  10.218
  416   2HB   LYS  54          2HB       LYS  54  -1.414  10.791   8.670
  417   1HG   LYS  54          1HG       LYS  54  -2.173  13.328   9.000
  418   2HG   LYS  54          2HG       LYS  54  -1.049  13.349  10.323
  419   1HD   LYS  54          1HD       LYS  54  -0.117  12.664   7.570
  420   2HD   LYS  54          2HD       LYS  54  -0.017  14.225   8.263
  421   1HE   LYS  54          1HE       LYS  54   1.540  13.323  10.181
  422   2HE   LYS  54          2HE       LYS  54   1.364  11.708   9.444
  423   1HZ   LYS  54          1HZ       LYS  54   3.285  13.165   8.819
  424   2HZ   LYS  54          2HZ       LYS  54   2.559  12.423   7.519
  425    H    PHE  55           H        PHE  55  -3.717   9.463   8.819
  426    HA   PHE  55           HA       PHE  55  -5.405  11.260   7.127
  427   1HB   PHE  55          1HB       PHE  55  -2.926   9.642   6.580
  428   2HB   PHE  55          2HB       PHE  55  -4.163   9.411   5.421
  429    HD1  PHE  55           1HD      PHE  55  -5.159  11.324   4.083
  430    HD2  PHE  55           2HD      PHE  55  -1.725  11.807   6.402
  431    HE1  PHE  55           1HE      PHE  55  -4.963  13.724   3.241
  432    HE2  PHE  55           2HE      PHE  55  -1.509  14.179   5.629
  433    HZ   PHE  55           HZ       PHE  55  -2.992  14.954   3.904
  434    HA   PRO  56           HA       PRO  56  -8.470   7.783   8.244
  435   1HB   PRO  56          1HB       PRO  56 -10.780   9.394   8.263
  436   2HB   PRO  56          2HB       PRO  56  -9.590   9.225   9.483
  437   1HG   PRO  56          1HG       PRO  56  -9.877  11.204   7.314
  438   2HG   PRO  56          2HG       PRO  56  -9.510  11.627   9.016
  439   1HD   PRO  56          1HD       PRO  56  -7.719  11.626   7.021
  440   2HD   PRO  56          2HD       PRO  56  -7.222  11.312   8.746
  441    H    ASN  57           H        ASN  57  -8.395   9.128   4.950
  442    HA   ASN  57           HA       ASN  57 -10.943   8.191   3.825
  443   1HB   ASN  57          1HB       ASN  57 -10.421   9.876   2.147
  444   2HB   ASN  57          2HB       ASN  57 -10.726  10.697   3.721
  445   1HD2  ASN  57          1HD2      ASN  57  -8.595  11.834   4.519
  446   2HD2  ASN  57          2HD2      ASN  57  -7.342  12.009   3.313
  447    H    VAL  58           H        VAL  58  -8.362   6.816   4.666
  448    HA   VAL  58           HA       VAL  58  -7.946   5.374   2.108
  449    HB   VAL  58           HB       VAL  58  -6.723   7.250   1.649
  450   1HG1  VAL  58          1HG1      VAL  58  -5.180   7.143   4.331
  451   2HG1  VAL  58          2HG1      VAL  58  -4.979   8.394   3.043
  452   3HG1  VAL  58          3HG1      VAL  58  -6.434   8.351   3.961
  453   1HG2  VAL  58          1HG2      VAL  58  -4.411   6.654   1.496
  454   2HG2  VAL  58          2HG2      VAL  58  -4.701   5.298   2.649
  455   3HG2  VAL  58          3HG2      VAL  58  -5.472   5.303   0.977
  456    H    THR  59           H        THR  59  -8.021   3.481   2.411
  457    HA   THR  59           HA       THR  59  -7.253   1.866   4.834
  458    HB   THR  59           HB       THR  59  -7.947   0.794   2.094
  459    HG1  THR  59           1HG      THR  59  -9.985   0.469   3.368
  460   1HG2  THR  59          1HG2      THR  59  -8.441  -1.426   3.333
  461   2HG2  THR  59          2HG2      THR  59  -6.824  -1.050   3.201
  462   3HG2  THR  59          3HG2      THR  59  -7.629  -0.694   4.752
  463    H    PHE  60           H        PHE  60  -5.493   0.310   4.883
  464    HA   PHE  60           HA       PHE  60  -3.117   0.592   3.043
  465   1HB   PHE  60          1HB       PHE  60  -3.073   1.143   5.993
  466   2HB   PHE  60          2HB       PHE  60  -1.654   1.008   4.984
  467    HD1  PHE  60           1HD      PHE  60  -1.308   2.763   3.301
  468    HD2  PHE  60           2HD      PHE  60  -4.451   3.214   6.186
  469    HE1  PHE  60           1HE      PHE  60  -1.151   5.253   3.116
  470    HE2  PHE  60           2HE      PHE  60  -4.232   5.605   5.963
  471    HZ   PHE  60           HZ       PHE  60  -2.656   6.679   4.549
  472    H    LEU  61           H        LEU  61  -2.383  -0.940   2.559
  473    HA   LEU  61           HA       LEU  61  -2.152  -3.311   4.407
  474   1HB   LEU  61          1HB       LEU  61  -3.333  -4.878   3.328
  475   2HB   LEU  61          2HB       LEU  61  -4.305  -3.513   3.186
  476    HG   LEU  61           HG       LEU  61  -3.299  -3.064   0.742
  477   1HD1  LEU  61          1HD1      LEU  61  -3.142  -6.071   1.056
  478   2HD1  LEU  61          2HD1      LEU  61  -2.883  -5.371  -0.559
  479   3HD1  LEU  61          3HD1      LEU  61  -1.646  -5.116   0.716
  480   1HD2  LEU  61          1HD2      LEU  61  -5.621  -3.357   0.870
  481   2HD2  LEU  61          2HD2      LEU  61  -5.022  -4.498  -0.283
  482   3HD2  LEU  61          3HD2      LEU  61  -5.474  -5.184   1.183
  483    H    LYS  62           H        LYS  62  -1.028  -4.866   3.749
  484    HA   LYS  62           HA       LYS  62   1.458  -4.391   2.077
  485   1HB   LYS  62          1HB       LYS  62   3.067  -4.682   3.974
  486   2HB   LYS  62          2HB       LYS  62   2.107  -3.376   4.291
  487   1HG   LYS  62          1HG       LYS  62   0.658  -4.684   5.826
  488   2HG   LYS  62          2HG       LYS  62   1.657  -6.081   5.511
  489   1HD   LYS  62          1HD       LYS  62   3.575  -4.691   6.522
  490   2HD   LYS  62          2HD       LYS  62   2.496  -3.288   6.666
  491   1HE   LYS  62          1HE       LYS  62   0.981  -4.834   8.184
  492   2HE   LYS  62          2HE       LYS  62   2.305  -6.029   7.979
  493   1HZ   LYS  62          1HZ       LYS  62   2.797  -3.437   9.219
  494   2HZ   LYS  62          2HZ       LYS  62   3.704  -4.703   9.155
  495    H    VAL  63           H        VAL  63   1.620  -5.778   0.788
  496    HA   VAL  63           HA       VAL  63   0.940  -8.612   0.986
  497    HB   VAL  63           HB       VAL  63   2.072  -7.082  -1.343
  498   1HG1  VAL  63          1HG1      VAL  63   1.447  -9.092  -2.837
  499   2HG1  VAL  63          2HG1      VAL  63   2.746  -9.461  -1.823
  500   3HG1  VAL  63          3HG1      VAL  63   1.130 -10.011  -1.250
  501   1HG2  VAL  63          1HG2      VAL  63  -0.343  -7.327  -2.158
  502   2HG2  VAL  63          2HG2      VAL  63  -0.627  -8.166  -0.511
  503   3HG2  VAL  63          3HG2      VAL  63  -0.240  -6.441  -0.713
  504    H    ASP  64           H        ASP  64   2.236  -9.910   1.993
  505    HA   ASP  64           HA       ASP  64   5.183  -9.946   1.893
  506   1HB   ASP  64          1HB       ASP  64   4.127 -10.966   3.656
  507   2HB   ASP  64          2HB       ASP  64   3.263 -12.200   2.493
  508    HD2  ASP  64           HD       ASP  64   5.800 -14.321   3.364
  509    H    VAL  65           H        VAL  65   6.065  -9.871   0.024
  510    HA   VAL  65           HA       VAL  65   5.192 -10.924  -2.385
  511    HB   VAL  65           HB       VAL  65   6.947  -9.007  -1.869
  512   1HG1  VAL  65          1HG1      VAL  65   9.217  -9.636  -2.631
  513   2HG1  VAL  65          2HG1      VAL  65   8.783 -10.680  -1.183
  514   3HG1  VAL  65          3HG1      VAL  65   8.881 -11.299  -2.762
  515   1HG2  VAL  65          1HG2      VAL  65   6.912 -10.786  -4.401
  516   2HG2  VAL  65          2HG2      VAL  65   5.909  -9.313  -4.160
  517   3HG2  VAL  65          3HG2      VAL  65   7.646  -9.187  -4.394
  518    H    ASP  66           H        ASP  66   6.983 -13.057  -0.229
  519    HA   ASP  66           HA       ASP  66   7.841 -15.069  -2.202
  520   1HB   ASP  66          1HB       ASP  66   7.217 -15.146   0.844
  521   2HB   ASP  66          2HB       ASP  66   7.790 -16.499   0.012
  522    HD2  ASP  66           HD       ASP  66  10.200 -13.185   0.781
  523    H    GLU  67           H        GLU  67   4.999 -14.459  -0.320
  524    HA   GLU  67           HA       GLU  67   3.472 -16.618  -1.265
  525   1HB   GLU  67          1HB       GLU  67   2.568 -14.057   0.170
  526   2HB   GLU  67          2HB       GLU  67   1.409 -15.086  -0.367
  527   1HG   GLU  67          1HG       GLU  67   3.592 -15.779   1.618
  528   2HG   GLU  67          2HG       GLU  67   1.934 -15.357   1.981
  529    HE2  GLU  67           HE       GLU  67   0.482 -18.252   2.304
  530    H    LEU  68           H        LEU  68   3.776 -13.380  -2.708
  531    HA   LEU  68           HA       LEU  68   1.679 -13.864  -4.759
  532   1HB   LEU  68          1HB       LEU  68   1.721 -11.738  -2.639
  533   2HB   LEU  68          2HB       LEU  68   0.840 -11.484  -4.147
  534    HG   LEU  68           HG       LEU  68   0.215 -13.398  -1.850
  535   1HD1  LEU  68          1HD1      LEU  68  -1.966 -12.189  -2.008
  536   2HD1  LEU  68          2HD1      LEU  68  -0.659 -11.170  -1.436
  537   3HD1  LEU  68          3HD1      LEU  68  -1.157 -10.884  -3.025
  538   1HD2  LEU  68          1HD2      LEU  68  -0.315 -14.570  -4.125
  539   2HD2  LEU  68          2HD2      LEU  68  -1.741 -14.246  -3.020
  540   3HD2  LEU  68          3HD2      LEU  68  -1.445 -13.218  -4.364
  541    H    LYS  69           H        LYS  69   4.212 -13.833  -5.126
  542    HA   LYS  69           HA       LYS  69   5.452 -11.489  -6.299
  543   1HB   LYS  69          1HB       LYS  69   7.099 -13.016  -7.431
  544   2HB   LYS  69          2HB       LYS  69   7.030 -12.957  -5.722
  545   1HG   LYS  69          1HG       LYS  69   5.438 -15.157  -6.082
  546   2HG   LYS  69          2HG       LYS  69   6.182 -15.120  -7.796
  547   1HD   LYS  69          1HD       LYS  69   8.466 -15.073  -6.625
  548   2HD   LYS  69          2HD       LYS  69   7.667 -15.387  -5.071
  549   1HE   LYS  69          1HE       LYS  69   7.468 -17.060  -7.616
  550   2HE   LYS  69          2HE       LYS  69   8.514 -17.481  -6.112
  551   1HZ   LYS  69          1HZ       LYS  69   6.256 -18.674  -6.335
  552   2HZ   LYS  69          2HZ       LYS  69   6.549 -18.068  -4.878
  553    H    ALA  70           H        ALA  70   3.462 -13.994  -7.824
  554    HA   ALA  70           HA       ALA  70   3.952 -13.324 -10.543
  555   1HB   ALA  70          1HB       ALA  70   1.723 -14.763 -10.701
  556   2HB   ALA  70          2HB       ALA  70   3.073 -15.585  -9.964
  557   3HB   ALA  70          3HB       ALA  70   1.726 -14.881  -8.982
  558    H    VAL  71           H        VAL  71   1.019 -12.686  -8.739
  559    HA   VAL  71           HA       VAL  71   0.009 -10.511 -10.263
  560    HB   VAL  71           HB       VAL  71  -1.403 -11.639  -8.552
  561   1HG1  VAL  71          1HG1      VAL  71  -1.164 -11.297  -6.286
  562   2HG1  VAL  71          2HG1      VAL  71   0.496 -11.306  -6.752
  563   3HG1  VAL  71          3HG1      VAL  71  -0.326  -9.723  -6.373
  564   1HG2  VAL  71          1HG2      VAL  71  -2.598  -9.599  -7.856
  565   2HG2  VAL  71          2HG2      VAL  71  -1.224  -8.623  -8.505
  566   3HG2  VAL  71          3HG2      VAL  71  -2.196  -9.693  -9.615
  567    H    ALA  72           H        ALA  72   2.377 -10.067  -7.619
  568    HA   ALA  72           HA       ALA  72   2.196  -7.161  -7.161
  569   1HB   ALA  72          1HB       ALA  72   4.321  -7.244  -6.180
  570   2HB   ALA  72          2HB       ALA  72   3.432  -8.606  -5.544
  571   3HB   ALA  72          3HB       ALA  72   4.616  -8.928  -6.694
  572    H    GLU  73           H        GLU  73   4.312  -9.185  -8.993
  573    HA   GLU  73           HA       GLU  73   6.078  -7.317 -10.380
  574   1HB   GLU  73          1HB       GLU  73   5.454 -10.086 -11.029
  575   2HB   GLU  73          2HB       GLU  73   6.633  -9.141 -11.959
  576   1HG   GLU  73          1HG       GLU  73   7.901  -8.859  -9.922
  577   2HG   GLU  73          2HG       GLU  73   6.905  -9.797  -8.953
  578    HE2  GLU  73           HE       GLU  73   9.643 -11.617 -11.428
  579    H    GLU  74           H        GLU  74   2.961  -8.828 -11.098
  580    HA   GLU  74           HA       GLU  74   2.634  -7.972 -13.848
  581   1HB   GLU  74          1HB       GLU  74   0.741  -8.984 -14.059
  582   2HB   GLU  74          2HB       GLU  74   1.245  -9.762 -12.719
  583   1HG   GLU  74          1HG       GLU  74  -0.516  -8.453 -11.477
  584   2HG   GLU  74          2HG       GLU  74  -0.853  -7.460 -12.807
  585    HE2  GLU  74           HE       GLU  74  -1.998  -8.020 -14.278
  586    H    TRP  75           H        TRP  75   1.360  -6.187 -10.979
  587    HA   TRP  75           HA       TRP  75   0.383  -3.770 -12.410
  588   1HB   TRP  75          1HB       TRP  75   1.271  -3.873  -9.462
  589   2HB   TRP  75          2HB       TRP  75   0.284  -2.716 -10.267
  590    HD1  TRP  75           HD       TRP  75  -0.124  -5.200  -7.639
  591    HE1  TRP  75           1HE      TRP  75  -2.071  -6.754  -7.493
  592    HE3  TRP  75           3HE      TRP  75  -1.825  -4.533 -12.464
  593    HZ2  TRP  75           2HZ      TRP  75  -3.871  -7.698  -9.235
  594    HZ3  TRP  75           3HZ      TRP  75  -3.705  -5.803 -13.227
  595    HH2  TRP  75           HH       TRP  75  -4.842  -7.566 -11.737
  596    H    ASN  76           H        ASN  76   3.394  -4.387 -10.717
  597    HA   ASN  76           HA       ASN  76   5.349  -4.379 -12.473
  598   1HB   ASN  76          1HB       ASN  76   4.432  -2.343 -13.697
  599   2HB   ASN  76          2HB       ASN  76   4.787  -1.277 -12.452
  600   1HD2  ASN  76          1HD2      ASN  76   7.352  -1.094 -12.087
  601   2HD2  ASN  76          2HD2      ASN  76   8.452  -1.384 -13.544
  602    H    VAL  77           H        VAL  77   5.616  -5.287 -10.548
  603    HA   VAL  77           HA       VAL  77   7.373  -3.835  -8.588
  604    HB   VAL  77           HB       VAL  77   6.190  -6.538  -8.062
  605   1HG1  VAL  77          1HG1      VAL  77   8.007  -4.790  -6.315
  606   2HG1  VAL  77          2HG1      VAL  77   7.034  -6.073  -5.535
  607   3HG1  VAL  77          3HG1      VAL  77   8.283  -6.438  -6.704
  608   1HG2  VAL  77          1HG2      VAL  77   5.605  -3.709  -6.985
  609   2HG2  VAL  77          2HG2      VAL  77   4.394  -4.637  -7.868
  610   3HG2  VAL  77          3HG2      VAL  77   4.796  -5.291  -6.386
  611    H    GLU  78           H        GLU  78   8.986  -3.597 -10.093
  612    HA   GLU  78           HA       GLU  78  10.889  -5.638 -10.656
  613   1HB   GLU  78          1HB       GLU  78  12.583  -3.434 -10.558
  614   2HB   GLU  78          2HB       GLU  78  11.511  -3.894 -12.009
  615   1HG   GLU  78          1HG       GLU  78  11.584  -1.586 -11.581
  616   2HG   GLU  78          2HG       GLU  78   9.956  -2.001 -11.303
  617    HE2  GLU  78           HE       GLU  78  12.866  -0.964  -9.959
  618    H    ALA  79           H        ALA  79  10.222  -4.263  -7.662
  619    HA   ALA  79           HA       ALA  79  12.734  -5.314  -6.615
  620   1HB   ALA  79          1HB       ALA  79  14.022  -3.083  -6.380
  621   2HB   ALA  79          2HB       ALA  79  13.120  -3.002  -7.785
  622   3HB   ALA  79          3HB       ALA  79  12.466  -2.194  -6.295
  623    H    MET  80           H        MET  80  13.172  -5.033  -4.511
  624    HA   MET  80           HA       MET  80  11.073  -4.608  -2.545
  625   1HB   MET  80          1HB       MET  80  13.479  -5.994  -2.422
  626   2HB   MET  80          2HB       MET  80  13.154  -5.097  -0.993
  627   1HG   MET  80          1HG       MET  80  12.661  -7.524  -1.005
  628   2HG   MET  80          2HG       MET  80  11.368  -6.497  -0.385
  629   1HE   MET  80          1HE       MET  80   8.422  -7.103  -2.760
  630   2HE   MET  80          2HE       MET  80   9.379  -5.603  -2.964
  631   3HE   MET  80          3HE       MET  80   9.340  -6.806  -4.210
  632    HA   PRO  81           HA       PRO  81   9.729  -3.267  -2.797
  633   1HB   PRO  81          1HB       PRO  81   8.974  -2.363  -0.508
  634   2HB   PRO  81          2HB       PRO  81  10.107  -3.496  -0.560
  635   1HG   PRO  81          2HG       PRO  81  10.696  -0.576   0.017
  636   2HG   PRO  81          1HG       PRO  81  11.675  -2.126   0.391
  637   1HD   PRO  81          1HD       PRO  81  11.745  -0.138  -2.003
  638   2HD   PRO  81          2HD       PRO  81  12.977  -1.078  -1.087
  639    H    THR  82           H        THR  82   8.266  -2.619  -3.357
  640    HA   THR  82           HA       THR  82   7.608  -0.008  -4.521
  641    HB   THR  82           HB       THR  82   6.401  -2.684  -5.025
  642    HG1  THR  82           1HG      THR  82   8.668  -2.635  -5.320
  643   1HG2  THR  82          1HG2      THR  82   6.043  -1.726  -7.456
  644   2HG2  THR  82          2HG2      THR  82   5.232  -0.823  -6.072
  645   3HG2  THR  82          3HG2      THR  82   6.752  -0.168  -6.949
  646    H    PHE  83           H        PHE  83   5.703   0.826  -4.346
  647    HA   PHE  83           HA       PHE  83   3.597   0.116  -2.417
  648   1HB   PHE  83          1HB       PHE  83   4.563   2.915  -2.544
  649   2HB   PHE  83          2HB       PHE  83   3.145   2.428  -1.717
  650    HD1  PHE  83           1HD      PHE  83   6.979   1.903  -1.543
  651    HD2  PHE  83           2HD      PHE  83   3.103   1.248   0.633
  652    HE1  PHE  83           1HE      PHE  83   8.000   1.895   0.661
  653    HE2  PHE  83           2HE      PHE  83   4.237   1.365   2.675
  654    HZ   PHE  83           HZ       PHE  83   6.694   1.595   2.738
  655    H    ILE  84           H        ILE  84   1.583   0.690  -3.418
  656    HA   ILE  84           HA       ILE  84   1.455   1.830  -6.163
  657    HB   ILE  84           HB       ILE  84   1.272  -1.150  -5.422
  658   1HG1  ILE  84          1HG1      ILE  84   1.393  -0.062  -8.388
  659   2HG1  ILE  84          2HG1      ILE  84   2.717   0.168  -7.402
  660   1HG2  ILE  84          1HG2      ILE  84  -1.043  -0.328  -7.322
  661   2HG2  ILE  84          2HG2      ILE  84  -0.231  -1.824  -6.972
  662   3HG2  ILE  84          3HG2      ILE  84  -1.039  -0.926  -5.670
  663   1HD1  ILE  84          1HD1      ILE  84   3.274  -2.056  -6.993
  664   2HD1  ILE  84          2HD1      ILE  84   1.804  -2.689  -7.856
  665   3HD1  ILE  84          3HD1      ILE  84   3.075  -1.874  -8.747
  666    H    PHE  85           H        PHE  85  -0.174   2.682  -6.549
  667    HA   PHE  85           HA       PHE  85  -2.301   3.278  -4.477
  668   1HB   PHE  85          1HB       PHE  85  -0.981   5.050  -6.595
  669   2HB   PHE  85          2HB       PHE  85  -2.419   5.543  -5.622
  670    HD1  PHE  85           1HD      PHE  85   1.129   4.025  -5.252
  671    HD2  PHE  85           2HD      PHE  85  -1.703   6.758  -3.773
  672    HE1  PHE  85           1HE      PHE  85   2.709   4.683  -3.412
  673    HE2  PHE  85           2HE      PHE  85  -0.273   7.428  -1.895
  674    HZ   PHE  85           HZ       PHE  85   1.993   6.255  -1.760
  675    H    LEU  86           H        LEU  86  -4.279   2.719  -4.833
  676    HA   LEU  86           HA       LEU  86  -5.595   2.426  -7.612
  677   1HB   LEU  86          1HB       LEU  86  -4.678   0.186  -6.296
  678   2HB   LEU  86          2HB       LEU  86  -5.879   0.524  -5.171
  679    HG   LEU  86           HG       LEU  86  -7.023  -1.002  -6.339
  680   1HD1  LEU  86          1HD1      LEU  86  -8.791  -0.151  -7.699
  681   2HD1  LEU  86          2HD1      LEU  86  -8.510   0.970  -6.221
  682   3HD1  LEU  86          3HD1      LEU  86  -8.046   1.487  -8.053
  683   1HD2  LEU  86          1HD2      LEU  86  -6.829  -1.378  -8.761
  684   2HD2  LEU  86          2HD2      LEU  86  -6.312   0.283  -9.049
  685   3HD2  LEU  86          3HD2      LEU  86  -5.156  -0.804  -8.493
  686    H    LYS  87           H        LYS  87  -6.800   3.848  -7.376
  687    HA   LYS  87           HA       LYS  87  -8.422   4.932  -5.047
  688   1HB   LYS  87          1HB       LYS  87  -6.932   6.397  -6.780
  689   2HB   LYS  87          2HB       LYS  87  -8.134   6.032  -7.882
  690   1HG   LYS  87          1HG       LYS  87  -8.294   8.212  -7.158
  691   2HG   LYS  87          2HG       LYS  87  -9.869   7.479  -6.717
  692   1HD   LYS  87          1HD       LYS  87  -8.654   7.112  -4.410
  693   2HD   LYS  87          2HD       LYS  87  -7.446   8.037  -4.924
  694   1HE   LYS  87          1HE       LYS  87  -9.026  10.118  -5.206
  695   2HE   LYS  87          2HE       LYS  87 -10.399   9.117  -4.695
  696   1HZ   LYS  87          1HZ       LYS  87  -9.347   8.865  -2.538
  697   2HZ   LYS  87          2HZ       LYS  87  -7.921   9.642  -3.074
  698    H    ASP  88           H        ASP  88 -10.955   4.962  -5.032
  699    HA   ASP  88           HA       ASP  88 -12.451   3.855  -6.881
  700   1HB   ASP  88          1HB       ASP  88 -14.279   5.082  -6.428
  701   2HB   ASP  88          2HB       ASP  88 -13.253   5.157  -5.155
  702    HD2  ASP  88           HD       ASP  88 -12.317   8.598  -5.692
  703    H    GLY  89           H        GLY  89 -10.354   4.377  -8.638
  704   1HA   GLY  89          1HA       GLY  89 -11.559   5.228 -11.113
  705   2HA   GLY  89          2HA       GLY  89 -10.442   6.419 -10.605
  706    H    LYS  90           H        LYS  90 -10.042   3.043 -10.052
  707    HA   LYS  90           HA       LYS  90  -8.659   1.224 -10.909
  708   1HB   LYS  90          1HB       LYS  90  -8.021   2.963 -13.433
  709   2HB   LYS  90          2HB       LYS  90  -7.578   1.300 -13.205
  710   1HG   LYS  90          1HG       LYS  90  -9.377   0.617 -14.347
  711   2HG   LYS  90          2HG       LYS  90 -10.127   0.706 -12.919
  712   1HD   LYS  90          1HD       LYS  90 -11.010   2.976 -13.229
  713   2HD   LYS  90          2HD       LYS  90 -10.405   3.073 -14.870
  714   1HE   LYS  90          1HE       LYS  90 -11.850   0.916 -15.516
  715   2HE   LYS  90          2HE       LYS  90 -12.294   0.789 -13.747
  716   1HZ   LYS  90          1HZ       LYS  90 -13.735   2.203 -15.495
  717   2HZ   LYS  90          2HZ       LYS  90 -12.832   3.327 -15.423
  718    H    LEU  91           H        LEU  91  -6.022   1.697 -12.195
  719    HA   LEU  91           HA       LEU  91  -4.436   2.087  -9.760
  720   1HB   LEU  91          1HB       LEU  91  -4.053  -0.006 -10.905
  721   2HB   LEU  91          2HB       LEU  91  -3.988   0.809 -12.543
  722    HG   LEU  91           HG       LEU  91  -1.835   1.975 -11.484
  723   1HD1  LEU  91          1HD1      LEU  91  -2.037  -0.194  -9.346
  724   2HD1  LEU  91          2HD1      LEU  91  -0.609   0.802  -9.779
  725   3HD1  LEU  91          3HD1      LEU  91  -2.017   1.536  -9.244
  726   1HD2  LEU  91          1HD2      LEU  91  -0.279  -0.154 -11.911
  727   2HD2  LEU  91          2HD2      LEU  91  -1.794  -1.203 -12.105
  728   3HD2  LEU  91          3HD2      LEU  91  -1.570   0.224 -13.207
  729    H    VAL  92           H        VAL  92  -4.195   4.145  -9.378
  730    HA   VAL  92           HA       VAL  92  -3.778   6.333 -11.366
  731    HB   VAL  92           HB       VAL  92  -3.761   7.922  -9.509
  732   1HG1  VAL  92          1HG1      VAL  92  -6.154   6.075  -9.288
  733   2HG1  VAL  92          2HG1      VAL  92  -6.053   7.868  -8.854
  734   3HG1  VAL  92          3HG1      VAL  92  -5.934   7.319 -10.494
  735   1HG2  VAL  92          1HG2      VAL  92  -3.916   5.648  -7.635
  736   2HG2  VAL  92          2HG2      VAL  92  -2.530   6.832  -7.877
  737   3HG2  VAL  92          3HG2      VAL  92  -3.931   7.421  -7.214
  738    H    ASP  93           H        ASP  93  -1.520   4.445  -9.253
  739    HA   ASP  93           HA       ASP  93   0.829   5.881 -10.303
  740   1HB   ASP  93          1HB       ASP  93  -0.248   7.767  -8.828
  741   2HB   ASP  93          2HB       ASP  93  -0.101   6.873  -7.479
  742    HD2  ASP  93           HD       ASP  93   1.576   8.175 -10.069
  743    H    LYS  94           H        LYS  94   2.963   5.619  -8.969
  744    HA   LYS  94           HA       LYS  94   3.214   3.056  -7.516
  745   1HB   LYS  94          1HB       LYS  94   4.549   1.924  -8.997
  746   2HB   LYS  94          2HB       LYS  94   2.737   1.824  -9.251
  747   1HG   LYS  94          1HG       LYS  94   3.103   3.461 -11.274
  748   2HG   LYS  94          2HG       LYS  94   4.756   2.757 -11.215
  749   1HD   LYS  94          1HD       LYS  94   3.835   0.423 -11.257
  750   2HD   LYS  94          2HD       LYS  94   2.166   0.946 -11.313
  751   1HE   LYS  94          1HE       LYS  94   4.095   1.861 -13.572
  752   2HE   LYS  94          2HE       LYS  94   3.525   0.283 -13.582
  753   1HZ   LYS  94          1HZ       LYS  94   1.913   1.903 -14.744
  754   2HZ   LYS  94          2HZ       LYS  94   1.749   2.616 -13.252
  755    H    THR  95           H        THR  95   5.257   3.048  -6.709
  756    HA   THR  95           HA       THR  95   7.316   4.792  -7.486
  757    HB   THR  95           HB       THR  95   5.920   5.882  -4.999
  758    HG1  THR  95           1HG      THR  95   5.799   7.681  -6.195
  759   1HG2  THR  95          1HG2      THR  95   8.328   5.924  -4.698
  760   2HG2  THR  95          2HG2      THR  95   8.591   6.821  -6.269
  761   3HG2  THR  95          3HG2      THR  95   7.741   7.569  -4.764
  762    H    VAL  96           H        VAL  96   9.037   4.210  -6.214
  763    HA   VAL  96           HA       VAL  96   8.867   1.738  -4.496
  764    HB   VAL  96           HB       VAL  96   8.964   0.782  -6.830
  765   1HG1  VAL  96          1HG1      VAL  96  11.420   2.572  -7.484
  766   2HG1  VAL  96          2HG1      VAL  96  10.542   1.453  -8.538
  767   3HG1  VAL  96          3HG1      VAL  96   9.707   2.826  -7.983
  768   1HG2  VAL  96          1HG2      VAL  96  10.139  -0.466  -5.128
  769   2HG2  VAL  96          2HG2      VAL  96  10.872  -0.547  -6.729
  770   3HG2  VAL  96          3HG2      VAL  96  11.622   0.477  -5.456
  771    H    GLY  97           H        GLY  97   9.963   2.155  -2.777
  772   1HA   GLY  97          1HA       GLY  97  12.594   2.911  -2.479
  773   2HA   GLY  97          2HA       GLY  97  11.760   4.446  -2.346
  774    H    ALA  98           H        ALA  98  12.822   4.322  -0.148
  775    HA   ALA  98           HA       ALA  98  10.643   3.883   1.847
  776   1HB   ALA  98          1HB       ALA  98  12.812   1.830   2.099
  777   2HB   ALA  98          2HB       ALA  98  12.175   2.442   3.594
  778   3HB   ALA  98          3HB       ALA  98  10.958   1.843   2.350
  779    H    ASP  99           H        ASP  99  10.718   5.555   3.013
  780    HA   ASP  99           HA       ASP  99  13.069   6.890   4.223
  781   1HB   ASP  99          1HB       ASP  99  13.461   7.822   1.881
  782   2HB   ASP  99          2HB       ASP  99  11.800   8.607   2.095
  783    HD2  ASP  99           HD       ASP  99  14.751  10.820   2.712
  784    H    LYS 100           H        LYS 100  12.476   7.931   5.939
  785    HA   LYS 100           HA       LYS 100   9.974   7.759   7.118
  786   1HB   LYS 100          1HB       LYS 100  10.881   9.095   8.857
  787   2HB   LYS 100          2HB       LYS 100  12.093   8.017   8.194
  788   1HG   LYS 100          1HG       LYS 100  13.094   9.899   6.982
  789   2HG   LYS 100          2HG       LYS 100  12.058  10.958   7.897
  790   1HD   LYS 100          1HD       LYS 100  13.019  10.055  10.045
  791   2HD   LYS 100          2HD       LYS 100  14.181   9.206   9.320
  792   1HE   LYS 100          1HE       LYS 100  14.850  11.514   8.289
  793   2HE   LYS 100          2HE       LYS 100  13.664  12.191   9.349
  794   1HZ   LYS 100          1HZ       LYS 100  14.896  11.206  11.164
  795   2HZ   LYS 100          2HZ       LYS 100  16.101  10.713  10.233
  796    H    ASP 101           H        ASP 101  11.196  10.712   5.835
  797    HA   ASP 101           HA       ASP 101   8.534  12.086   5.757
  798   1HB   ASP 101          1HB       ASP 101   9.473  13.958   4.823
  799   2HB   ASP 101          2HB       ASP 101  10.559  13.417   6.077
  800    HD2  ASP 101           HD       ASP 101  11.961  13.976   2.468
  801    H    GLY 102           H        GLY 102  10.589  10.570   3.143
  802   1HA   GLY 102          1HA       GLY 102   9.366  11.327   0.738
  803   2HA   GLY 102          2HA       GLY 102   9.934   9.721   1.136
  804    H    LEU 103           H        LEU 103   8.297   8.325   2.161
  805    HA   LEU 103           HA       LEU 103   5.832   8.013   0.761
  806   1HB   LEU 103          1HB       LEU 103   7.091   6.263   1.918
  807   2HB   LEU 103          2HB       LEU 103   6.845   7.047   3.431
  808    HG   LEU 103           HG       LEU 103   4.365   6.495   3.378
  809   1HD1  LEU 103          1HD1      LEU 103   3.398   4.813   1.569
  810   2HD1  LEU 103          2HD1      LEU 103   3.974   6.450   0.885
  811   3HD1  LEU 103          3HD1      LEU 103   4.913   5.037   0.694
  812   1HD2  LEU 103          1HD2      LEU 103   4.663   3.903   3.599
  813   2HD2  LEU 103          2HD2      LEU 103   6.080   4.103   2.789
  814   3HD2  LEU 103          3HD2      LEU 103   6.011   4.838   4.413
  815    HA   PRO 104           HA       PRO 104   3.095  10.294   4.443
  816   1HB   PRO 104          1HB       PRO 104   5.625  11.948   5.090
  817   2HB   PRO 104          2HB       PRO 104   4.075  11.784   6.013
  818   1HG   PRO 104          1HG       PRO 104   6.244  10.279   6.546
  819   2HG   PRO 104          2HG       PRO 104   4.557   9.355   6.442
  820   1HD   PRO 104          1HD       PRO 104   6.876   9.676   4.493
  821   2HD   PRO 104          2HD       PRO 104   6.030   8.211   5.030
  822    H    THR 105           H        THR 105   5.561  12.061   2.533
  823    HA   THR 105           HA       THR 105   3.796  14.298   1.639
  824    HB   THR 105           HB       THR 105   6.664  13.504   0.882
  825    HG1  THR 105           1HG      THR 105   7.197  15.266   1.909
  826   1HG2  THR 105          1HG2      THR 105   5.449  14.766  -1.016
  827   2HG2  THR 105          2HG2      THR 105   4.928  16.091   0.154
  828   3HG2  THR 105          3HG2      THR 105   6.620  15.903  -0.260
  829    H    LEU 106           H        LEU 106   4.996  11.419  -0.151
  830    HA   LEU 106           HA       LEU 106   3.536  11.914  -2.563
  831   1HB   LEU 106          1HB       LEU 106   5.439  10.204  -2.175
  832   2HB   LEU 106          2HB       LEU 106   4.374   9.392  -1.089
  833    HG   LEU 106           HG       LEU 106   2.832   8.771  -3.094
  834   1HD1  LEU 106          1HD1      LEU 106   3.827   9.111  -5.434
  835   2HD1  LEU 106          2HD1      LEU 106   3.416  10.577  -4.667
  836   3HD1  LEU 106          3HD1      LEU 106   5.139  10.070  -4.650
  837   1HD2  LEU 106          1HD2      LEU 106   4.206   6.833  -3.862
  838   2HD2  LEU 106          2HD2      LEU 106   5.704   7.914  -3.481
  839   3HD2  LEU 106          3HD2      LEU 106   4.696   7.227  -2.196
  840    H    VAL 107           H        VAL 107   2.449  10.071   0.191
  841    HA   VAL 107           HA       VAL 107  -0.169   9.412  -0.675
  842    HB   VAL 107           HB       VAL 107   0.959   9.332   2.044
  843   1HG1  VAL 107          1HG1      VAL 107  -1.480   9.313   2.678
  844   2HG1  VAL 107          2HG1      VAL 107  -2.027   8.494   1.106
  845   3HG1  VAL 107          3HG1      VAL 107  -1.119   7.587   2.273
  846   1HG2  VAL 107          1HG2      VAL 107   1.325   7.068   1.643
  847   2HG2  VAL 107          2HG2      VAL 107   0.445   7.035   0.157
  848   3HG2  VAL 107          3HG2      VAL 107   2.071   7.875   0.365
  849    H    ALA 108           H        ALA 108   0.624  11.921   1.887
  850    HA   ALA 108           HA       ALA 108  -1.777  13.223   1.979
  851   1HB   ALA 108          1HB       ALA 108  -0.541  15.277   2.500
  852   2HB   ALA 108          2HB       ALA 108   0.354  13.853   3.204
  853   3HB   ALA 108          3HB       ALA 108   0.877  14.613   1.676
  854    H    LYS 109           H        LYS 109   0.683  13.799  -0.599
  855    HA   LYS 109           HA       LYS 109  -0.701  15.877  -2.209
  856   1HB   LYS 109          1HB       LYS 109   1.298  13.717  -3.001
  857   2HB   LYS 109          2HB       LYS 109   0.528  14.591  -4.272
  858   1HG   LYS 109          1HG       LYS 109   1.159  16.851  -3.310
  859   2HG   LYS 109          2HG       LYS 109   2.143  16.062  -2.080
  860   1HD   LYS 109          1HD       LYS 109   3.562  14.912  -3.696
  861   2HD   LYS 109          2HD       LYS 109   2.636  15.493  -5.078
  862   1HE   LYS 109          1HE       LYS 109   3.234  17.884  -4.717
  863   2HE   LYS 109          2HE       LYS 109   3.978  17.450  -3.172
  864   1HZ   LYS 109          1HZ       LYS 109   5.654  16.071  -4.264
  865   2HZ   LYS 109          2HZ       LYS 109   5.099  16.568  -5.708
  866    H    HIS 110           H        HIS 110  -0.977  12.191  -2.144
  867    HA   HIS 110           HA       HIS 110  -2.932  12.062  -4.183
  868   1HB   HIS 110          1HB       HIS 110  -1.412   9.894  -2.743
  869   2HB   HIS 110          2HB       HIS 110  -2.781   9.520  -3.543
  870    HD1  HIS 110           1HD      HIS 110  -2.947   9.932  -6.144
  871    HD2  HIS 110           2HD      HIS 110   0.915  10.041  -4.423
  872    HE1  HIS 110           1HE      HIS 110  -1.143  10.428  -7.918
  873    H    ALA 111           H        ALA 111  -3.269  11.468  -0.935
  874    HA   ALA 111           HA       ALA 111  -6.086  11.090  -0.694
  875   1HB   ALA 111          1HB       ALA 111  -5.912  11.850   1.674
  876   2HB   ALA 111          2HB       ALA 111  -4.657  10.592   1.062
  877   3HB   ALA 111          3HB       ALA 111  -4.211  12.304   1.131
  878    H    THR 112           H        THR 112  -4.237  14.075  -0.568
  879    HA   THR 112           HA       THR 112  -6.586  16.002  -0.617
  880    HB   THR 112           HB       THR 112  -3.806  16.449  -1.918
  881    HG1  THR 112           1HG      THR 112  -5.015  17.159   0.646
  882   1HG2  THR 112          1HG2      THR 112  -5.536  18.176  -2.773
  883   2HG2  THR 112          2HG2      THR 112  -6.200  18.294  -1.037
  884   3HG2  THR 112          3HG2      THR 112  -4.614  18.868  -1.496
  885    H    ALA 113           H        ALA 113  -4.712  15.250  -3.644
  886    HA   ALA 113           HA       ALA 113  -6.641  15.726  -5.756
  887   1HB   ALA 113          1HB       ALA 113  -4.126  14.058  -5.706
  888   2HB   ALA 113          2HB       ALA 113  -5.011  14.398  -7.185
  889   3HB   ALA 113          3HB       ALA 113  -4.325  15.771  -6.142
  890    HXT  ALA 113           HO       ALA 113  -8.205  12.935  -6.934
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1 -13.328  10.007  16.359
    2   2H    ALA   1          2H        ALA   1 -14.022   8.681  16.932
    3    HA   ALA   1           HA       ALA   1 -11.088   9.069  16.756
    4   1HB   ALA   1          1HB       ALA   1 -10.888   6.622  17.160
    5   2HB   ALA   1          2HB       ALA   1 -11.572   7.448  18.553
    6   3HB   ALA   1          3HB       ALA   1 -12.592   6.474  17.470
    7    H    GLU   2           H        GLU   2 -10.454   9.064  14.695
    8    HA   GLU   2           HA       GLU   2 -11.776   7.397  12.578
    9   1HB   GLU   2          1HB       GLU   2 -13.074   9.701  12.725
   10   2HB   GLU   2          2HB       GLU   2 -11.651  10.463  12.100
   11   1HG   GLU   2          1HG       GLU   2 -11.822   9.199   9.932
   12   2HG   GLU   2          2HG       GLU   2 -13.073   8.136  10.609
   13    HE2  GLU   2           HE       GLU   2 -15.576  10.253   9.737
   14    H    GLU   3           H        GLU   3 -10.194   6.672  11.412
   15    HA   GLU   3           HA       GLU   3  -7.780   8.055  10.486
   16   1HB   GLU   3          1HB       GLU   3  -5.979   6.781  11.474
   17   2HB   GLU   3          2HB       GLU   3  -6.781   7.747  12.713
   18   1HG   GLU   3          1HG       GLU   3  -8.069   5.755  13.543
   19   2HG   GLU   3          2HG       GLU   3  -7.240   4.757  12.395
   20    HE2  GLU   3           HE       GLU   3  -4.534   4.108  14.423
   21    H    GLY   4           H        GLY   4  -6.268   6.781   9.544
   22   1HA   GLY   4          1HA       GLY   4  -7.198   4.816   7.513
   23   2HA   GLY   4          2HA       GLY   4  -5.567   5.466   7.772
   24    H    GLN   5           H        GLN   5  -5.785   2.717   7.453
   25    HA   GLN   5           HA       GLN   5  -5.138   1.483  10.095
   26   1HB   GLN   5          1HB       GLN   5  -6.862  -0.010  10.143
   27   2HB   GLN   5          2HB       GLN   5  -7.603   1.541   9.909
   28   1HG   GLN   5          1HG       GLN   5  -7.803   0.771   7.298
   29   2HG   GLN   5          2HG       GLN   5  -7.472  -0.766   7.918
   30   1HE2  GLN   5          1HE2      GLN   5 -10.064   1.586   7.890
   31   2HE2  GLN   5          2HE2      GLN   5 -11.260   0.527   8.728
   32    H    VAL   6           H        VAL   6  -3.602   0.227   9.761
   33    HA   VAL   6           HA       VAL   6  -2.551  -0.763   7.129
   34    HB   VAL   6           HB       VAL   6  -1.178  -0.324   9.936
   35   1HG1  VAL   6          1HG1      VAL   6   0.753  -1.429   9.079
   36   2HG1  VAL   6          2HG1      VAL   6  -0.565  -2.484   8.957
   37   3HG1  VAL   6          3HG1      VAL   6  -0.073  -1.730   7.466
   38   1HG2  VAL   6          1HG2      VAL   6  -0.735   0.735   7.114
   39   2HG2  VAL   6          2HG2      VAL   6  -1.311   1.720   8.477
   40   3HG2  VAL   6          3HG2      VAL   6   0.329   0.964   8.524
   41    H    ILE   7           H        ILE   7  -3.297  -2.644   6.778
   42    HA   ILE   7           HA       ILE   7  -3.899  -4.864   8.605
   43    HB   ILE   7           HB       ILE   7  -5.878  -3.668   7.631
   44   1HG1  ILE   7          1HG1      ILE   7  -6.274  -5.617   8.839
   45   2HG1  ILE   7          2HG1      ILE   7  -7.312  -5.583   7.480
   46   1HG2  ILE   7          1HG2      ILE   7  -6.770  -4.171   5.522
   47   2HG2  ILE   7          2HG2      ILE   7  -5.179  -3.508   5.316
   48   3HG2  ILE   7          3HG2      ILE   7  -5.287  -5.185   4.949
   49   1HD1  ILE   7          1HD1      ILE   7  -5.561  -7.340   6.333
   50   2HD1  ILE   7          2HD1      ILE   7  -4.997  -7.489   8.062
   51   3HD1  ILE   7          3HD1      ILE   7  -6.668  -7.877   7.709
   52    H    ALA   8           H        ALA   8  -3.009  -6.570   8.342
   53    HA   ALA   8           HA       ALA   8  -0.838  -7.327   6.409
   54   1HB   ALA   8          1HB       ALA   8  -0.471  -9.259   7.594
   55   2HB   ALA   8          2HB       ALA   8  -0.641  -7.899   8.739
   56   3HB   ALA   8          3HB       ALA   8  -1.952  -9.226   8.462
   57    H    CYS   9           H        CYS   9  -0.729  -8.489   4.859
   58    HA   CYS   9           HA       CYS   9  -3.002 -10.059   3.622
   59   1HB   CYS   9          1HB       CYS   9  -1.346  -7.998   2.026
   60   2HB   CYS   9          2HB       CYS   9  -2.457  -9.046   1.253
   61    HG   CYS   9           HG       CYS   9  -4.635  -8.459   2.901
   62    H    HIS  10           H        HIS  10  -2.408 -11.882   2.879
   63    HA   HIS  10           HA       HIS  10   0.444 -12.609   2.267
   64   1HB   HIS  10          1HB       HIS  10  -1.436 -13.853   4.430
   65   2HB   HIS  10          2HB       HIS  10  -0.173 -14.844   3.838
   66    HD1  HIS  10           1HD      HIS  10  -1.003 -12.061   6.244
   67    HD2  HIS  10           2HD      HIS  10   2.377 -13.388   4.050
   68    HE1  HIS  10           1HE      HIS  10   1.195 -11.116   7.247
   69    H    THR  11           H        THR  11  -2.904 -13.159   1.357
   70    HA   THR  11           HA       THR  11  -2.400 -15.598  -0.318
   71    HB   THR  11           HB       THR  11  -4.438 -16.590   0.862
   72    HG1  THR  11           1HG      THR  11  -5.040 -15.562   2.843
   73   1HG2  THR  11          1HG2      THR  11  -3.507 -17.091   3.104
   74   2HG2  THR  11          2HG2      THR  11  -2.317 -17.376   1.815
   75   3HG2  THR  11          3HG2      THR  11  -2.161 -15.908   2.829
   76    H    VAL  12           H        VAL  12  -4.785 -16.231  -1.388
   77    HA   VAL  12           HA       VAL  12  -5.757 -14.117  -3.115
   78    HB   VAL  12           HB       VAL  12  -5.859 -16.476  -3.567
   79   1HG1  VAL  12          1HG1      VAL  12  -8.230 -16.693  -1.650
   80   2HG1  VAL  12          2HG1      VAL  12  -7.566 -17.969  -2.767
   81   3HG1  VAL  12          3HG1      VAL  12  -6.630 -17.312  -1.302
   82   1HG2  VAL  12          1HG2      VAL  12  -8.687 -15.252  -3.801
   83   2HG2  VAL  12          2HG2      VAL  12  -7.325 -14.790  -4.772
   84   3HG2  VAL  12          3HG2      VAL  12  -7.953 -16.462  -4.840
   85    H    ASP  13           H        ASP  13  -6.625 -14.613   0.212
   86    HA   ASP  13           HA       ASP  13  -8.924 -13.070   0.419
   87   1HB   ASP  13          1HB       ASP  13  -6.686 -13.030   2.596
   88   2HB   ASP  13          2HB       ASP  13  -8.316 -12.536   2.758
   89    HD2  ASP  13           HD       ASP  13  -9.940 -13.930   2.388
   90    H    THR  14           H        THR  14  -5.558 -11.657   0.233
   91    HA   THR  14           HA       THR  14  -6.467  -8.985   0.136
   92    HB   THR  14           HB       THR  14  -4.150  -9.833   0.546
   93    HG1  THR  14           1HG      THR  14  -3.357  -7.853  -0.237
   94   1HG2  THR  14          1HG2      THR  14  -3.655  -9.446  -2.536
   95   2HG2  THR  14          2HG2      THR  14  -2.476  -9.841  -1.336
   96   3HG2  THR  14          3HG2      THR  14  -3.798 -11.070  -1.789
   97    H    TRP  15           H        TRP  15  -6.513 -11.254  -2.344
   98    HA   TRP  15           HA       TRP  15  -6.945  -9.455  -4.740
   99   1HB   TRP  15          1HB       TRP  15  -7.417 -12.366  -4.395
  100   2HB   TRP  15          2HB       TRP  15  -8.316 -11.569  -5.697
  101    HD1  TRP  15           HD       TRP  15  -4.754 -12.755  -4.819
  102    HE1  TRP  15           1HE      TRP  15  -3.256 -12.646  -6.844
  103    HE3  TRP  15           3HE      TRP  15  -7.888  -9.729  -7.732
  104    HZ2  TRP  15           2HZ      TRP  15  -3.598 -11.600  -9.427
  105    HZ3  TRP  15           3HZ      TRP  15  -7.426  -9.759 -10.183
  106    HH2  TRP  15           HH       TRP  15  -5.563 -10.810 -11.075
  107    H    LYS  16           H        LYS  16  -9.071 -11.088  -2.423
  108    HA   LYS  16           HA       LYS  16 -11.414  -9.537  -3.214
  109   1HB   LYS  16          1HB       LYS  16 -11.354 -10.610  -0.323
  110   2HB   LYS  16          2HB       LYS  16 -12.761 -10.211  -1.305
  111   1HG   LYS  16          1HG       LYS  16 -12.394 -12.138  -2.862
  112   2HG   LYS  16          2HG       LYS  16 -10.871 -12.515  -2.022
  113   1HD   LYS  16          1HD       LYS  16 -13.618 -12.646  -0.703
  114   2HD   LYS  16          2HD       LYS  16 -12.830 -13.985  -1.429
  115   1HE   LYS  16          1HE       LYS  16 -11.009 -14.042  -0.045
  116   2HE   LYS  16          2HE       LYS  16 -11.373 -12.504   0.761
  117   1HZ   LYS  16          1HZ       LYS  16 -12.119 -14.292   2.118
  118   2HZ   LYS  16          2HZ       LYS  16 -13.423 -13.604   1.541
  119    H    GLU  17           H        GLU  17  -9.131  -8.770  -0.783
  120    HA   GLU  17           HA       GLU  17 -10.532  -6.496   0.475
  121   1HB   GLU  17          1HB       GLU  17  -7.675  -7.493   0.861
  122   2HB   GLU  17          2HB       GLU  17  -8.186  -5.914   1.449
  123   1HG   GLU  17          1HG       GLU  17 -10.050  -6.915   2.748
  124   2HG   GLU  17          2HG       GLU  17  -9.513  -8.482   2.152
  125    HE2  GLU  17           HE       GLU  17  -6.843  -6.963   4.621
  126    H    HIS  18           H        HIS  18  -7.510  -6.562  -1.471
  127    HA   HIS  18           HA       HIS  18  -7.233  -3.711  -2.014
  128   1HB   HIS  18          1HB       HIS  18  -5.542  -5.610  -2.380
  129   2HB   HIS  18          2HB       HIS  18  -6.415  -6.105  -3.740
  130    HD1  HIS  18           1HD      HIS  18  -6.400  -4.550  -6.066
  131    HD2  HIS  18           2HD      HIS  18  -3.491  -4.270  -3.031
  132    HE1  HIS  18           1HE      HIS  18  -4.378  -3.430  -7.077
  133    H    PHE  19           H        PHE  19  -8.677  -6.048  -4.072
  134    HA   PHE  19           HA       PHE  19  -9.243  -4.184  -6.119
  135   1HB   PHE  19          1HB       PHE  19  -9.061  -6.720  -6.604
  136   2HB   PHE  19          2HB       PHE  19 -10.769  -6.780  -6.183
  137    HD1  PHE  19           1HD      PHE  19 -12.213  -6.493  -8.157
  138    HD2  PHE  19           2HD      PHE  19  -8.323  -4.666  -8.308
  139    HE1  PHE  19           1HE      PHE  19 -12.586  -5.771 -10.491
  140    HE2  PHE  19           2HE      PHE  19  -8.659  -3.923 -10.522
  141    HZ   PHE  19           HZ       PHE  19 -10.757  -4.453 -11.736
  142    H    GLU  20           H        GLU  20 -11.649  -5.857  -4.114
  143    HA   GLU  20           HA       GLU  20 -13.892  -4.299  -4.749
  144   1HB   GLU  20          1HB       GLU  20 -13.388  -5.873  -2.197
  145   2HB   GLU  20          2HB       GLU  20 -14.965  -5.199  -2.714
  146   1HG   GLU  20          1HG       GLU  20 -13.422  -7.075  -4.503
  147   2HG   GLU  20          2HG       GLU  20 -14.511  -7.733  -3.269
  148    HE2  GLU  20           HE       GLU  20 -17.497  -6.550  -4.870
  149    H    LYS  21           H        LYS  21 -12.074  -3.676  -1.588
  150    HA   LYS  21           HA       LYS  21 -13.197  -1.219  -1.007
  151   1HB   LYS  21          1HB       LYS  21 -10.225  -1.932  -0.630
  152   2HB   LYS  21          2HB       LYS  21 -11.048  -0.575   0.159
  153   1HG   LYS  21          1HG       LYS  21 -11.827  -3.524   0.650
  154   2HG   LYS  21          2HG       LYS  21 -10.623  -2.523   1.519
  155   1HD   LYS  21          1HD       LYS  21 -12.605  -0.689   1.881
  156   2HD   LYS  21          2HD       LYS  21 -13.723  -1.902   1.330
  157   1HE   LYS  21          1HE       LYS  21 -13.651  -1.792   3.797
  158   2HE   LYS  21          2HE       LYS  21 -12.934  -3.389   3.406
  159   1HZ   LYS  21          1HZ       LYS  21 -11.089  -1.136   3.578
  160   2HZ   LYS  21          2HZ       LYS  21 -11.737  -1.595   4.992
  161    H    GLY  22           H        GLY  22 -10.142  -1.452  -2.874
  162   1HA   GLY  22          1HA       GLY  22  -9.618   1.170  -3.692
  163   2HA   GLY  22          2HA       GLY  22  -9.169  -0.228  -4.620
  164    H    LYS  23           H        LYS  23 -10.699  -0.875  -6.235
  165    HA   LYS  23           HA       LYS  23 -12.750   1.021  -7.265
  166   1HB   LYS  23          1HB       LYS  23 -11.399  -0.493  -8.752
  167   2HB   LYS  23          2HB       LYS  23 -12.090  -1.842  -8.064
  168   1HG   LYS  23          1HG       LYS  23 -14.553  -0.711  -8.797
  169   2HG   LYS  23          2HG       LYS  23 -13.611   0.291  -9.776
  170   1HD   LYS  23          1HD       LYS  23 -13.584  -2.804  -9.797
  171   2HD   LYS  23          2HD       LYS  23 -14.621  -1.767 -10.730
  172   1HE   LYS  23          1HE       LYS  23 -11.578  -1.858 -10.933
  173   2HE   LYS  23          2HE       LYS  23 -12.535  -2.750 -12.075
  174   1HZ   LYS  23          1HZ       LYS  23 -12.631   0.235 -11.835
  175   2HZ   LYS  23          2HZ       LYS  23 -11.840  -0.599 -12.978
  176    H    GLY  24           H        GLY  24 -14.273   1.194  -6.062
  177   1HA   GLY  24          1HA       GLY  24 -16.598  -0.098  -6.268
  178   2HA   GLY  24          2HA       GLY  24 -16.037  -1.036  -4.914
  179    H    SER  25           H        SER  25 -14.758   0.945  -3.598
  180    HA   SER  25           HA       SER  25 -16.904   2.360  -2.033
  181   1HB   SER  25          1HB       SER  25 -14.139   1.533  -1.025
  182   2HB   SER  25          2HB       SER  25 -15.276   2.376  -0.127
  183    HG   SER  25           HG       SER  25 -15.859  -0.132  -1.335
  184    H    GLN  26           H        GLN  26 -16.783   4.371  -2.372
  185    HA   GLN  26           HA       GLN  26 -14.639   5.948  -3.606
  186   1HB   GLN  26          1HB       GLN  26 -17.077   6.858  -2.079
  187   2HB   GLN  26          2HB       GLN  26 -15.911   7.867  -2.870
  188   1HG   GLN  26          1HG       GLN  26 -17.518   7.931  -4.487
  189   2HG   GLN  26          2HG       GLN  26 -16.236   6.720  -5.026
  190   1HE2  GLN  26          1HE2      GLN  26 -17.302   5.037  -5.907
  191   2HE2  GLN  26          2HE2      GLN  26 -18.947   4.319  -5.419
  192    H    LYS  27           H        LYS  27 -12.989   5.089  -2.559
  193    HA   LYS  27           HA       LYS  27 -11.623   7.017  -0.696
  194   1HB   LYS  27          1HB       LYS  27 -10.824   5.243   0.900
  195   2HB   LYS  27          2HB       LYS  27 -12.668   5.570   0.946
  196   1HG   LYS  27          1HG       LYS  27 -13.099   3.424   0.006
  197   2HG   LYS  27          2HG       LYS  27 -11.613   3.201  -0.748
  198   1HD   LYS  27          1HD       LYS  27 -11.955   1.711   1.136
  199   2HD   LYS  27          2HD       LYS  27 -10.555   2.733   1.514
  200   1HE   LYS  27          1HE       LYS  27 -12.088   4.165   3.051
  201   2HE   LYS  27          2HE       LYS  27 -13.417   3.066   2.514
  202   1HZ   LYS  27          1HZ       LYS  27 -10.904   2.215   3.683
  203   2HZ   LYS  27          2HZ       LYS  27 -12.123   2.620   4.637
  204    H    LEU  28           H        LEU  28  -9.427   6.518  -0.384
  205    HA   LEU  28           HA       LEU  28  -7.940   5.496  -2.713
  206   1HB   LEU  28          1HB       LEU  28  -7.723   7.933  -2.118
  207   2HB   LEU  28          2HB       LEU  28  -7.375   7.448  -0.438
  208    HG   LEU  28           HG       LEU  28  -5.215   6.442  -1.443
  209   1HD1  LEU  28          1HD1      LEU  28  -4.379   7.574  -3.704
  210   2HD1  LEU  28          2HD1      LEU  28  -5.744   6.487  -3.958
  211   3HD1  LEU  28          3HD1      LEU  28  -6.049   8.117  -4.005
  212   1HD2  LEU  28          1HD2      LEU  28  -4.140   8.848  -1.284
  213   2HD2  LEU  28          2HD2      LEU  28  -5.801   9.474  -1.552
  214   3HD2  LEU  28          3HD2      LEU  28  -5.472   8.567  -0.138
  215    H    ILE  29           H        ILE  29  -6.522   4.014  -2.351
  216    HA   ILE  29           HA       ILE  29  -6.035   2.864   0.312
  217    HB   ILE  29           HB       ILE  29  -6.392   0.715  -0.106
  218   1HG1  ILE  29          1HG1      ILE  29  -7.446   1.007  -3.101
  219   2HG1  ILE  29          2HG1      ILE  29  -5.660   0.725  -2.678
  220   1HG2  ILE  29          1HG2      ILE  29  -8.590   0.290   0.087
  221   2HG2  ILE  29          2HG2      ILE  29  -8.512   1.980   0.356
  222   3HG2  ILE  29          3HG2      ILE  29  -9.099   1.269  -1.270
  223   1HD1  ILE  29          1HD1      ILE  29  -6.967  -1.293  -3.222
  224   2HD1  ILE  29          2HD1      ILE  29  -6.063  -1.416  -1.692
  225   3HD1  ILE  29          3HD1      ILE  29  -7.906  -1.195  -1.771
  226    H    VAL  30           H        VAL  30  -4.043   2.277   0.420
  227    HA   VAL  30           HA       VAL  30  -1.939   2.447  -1.730
  228    HB   VAL  30           HB       VAL  30  -1.827   3.055   1.199
  229   1HG1  VAL  30          1HG1      VAL  30   0.425   4.139  -0.933
  230   2HG1  VAL  30          2HG1      VAL  30   0.495   4.216   0.882
  231   3HG1  VAL  30          3HG1      VAL  30   0.635   2.737   0.156
  232   1HG2  VAL  30          1HG2      VAL  30  -1.711   5.603   0.675
  233   2HG2  VAL  30          2HG2      VAL  30  -1.804   5.197  -1.089
  234   3HG2  VAL  30          3HG2      VAL  30  -3.262   4.926   0.044
  235    H    VAL  31           H        VAL  31  -0.381   0.979  -1.702
  236    HA   VAL  31           HA       VAL  31  -0.408  -1.314   0.128
  237    HB   VAL  31           HB       VAL  31  -1.941  -1.984  -1.179
  238   1HG1  VAL  31          1HG1      VAL  31  -1.946  -0.676  -2.979
  239   2HG1  VAL  31          2HG1      VAL  31  -0.408  -1.230  -3.617
  240   3HG1  VAL  31          3HG1      VAL  31  -1.840  -2.389  -3.626
  241   1HG2  VAL  31          1HG2      VAL  31  -1.305  -4.262  -1.522
  242   2HG2  VAL  31          2HG2      VAL  31   0.179  -3.874  -2.307
  243   3HG2  VAL  31          3HG2      VAL  31   0.093  -3.730  -0.623
  244    H    ASP  32           H        ASP  32   1.483  -1.408   0.912
  245    HA   ASP  32           HA       ASP  32   4.017  -1.470  -0.642
  246   1HB   ASP  32          1HB       ASP  32   3.729  -1.109   2.010
  247   2HB   ASP  32          2HB       ASP  32   3.864  -2.911   1.970
  248    HD2  ASP  32           HD       ASP  32   7.163  -1.698   0.308
  249    H    PHE  33           H        PHE  33   5.169  -3.008  -1.371
  250    HA   PHE  33           HA       PHE  33   4.326  -5.929  -1.607
  251   1HB   PHE  33          1HB       PHE  33   5.364  -3.957  -3.656
  252   2HB   PHE  33          2HB       PHE  33   5.199  -5.731  -4.009
  253    HD1  PHE  33           1HD      PHE  33   2.670  -6.773  -3.577
  254    HD2  PHE  33           2HD      PHE  33   3.481  -2.621  -4.236
  255    HE1  PHE  33           1HE      PHE  33   0.437  -6.356  -3.869
  256    HE2  PHE  33           2HE      PHE  33   1.223  -2.408  -4.867
  257    HZ   PHE  33           HZ       PHE  33  -0.412  -4.312  -4.756
  258    H    THR  34           H        THR  34   5.943  -6.990  -0.273
  259    HA   THR  34           HA       THR  34   8.777  -5.826  -0.114
  260    HB   THR  34           HB       THR  34   7.766  -4.278   1.449
  261    HG1  THR  34           1HG      THR  34   9.073  -5.446   3.412
  262   1HG2  THR  34          1HG2      THR  34   5.611  -5.271   2.475
  263   2HG2  THR  34          2HG2      THR  34   6.654  -6.706   2.978
  264   3HG2  THR  34          3HG2      THR  34   6.819  -5.102   3.789
  265    H    ALA  35           H        ALA  35   9.847  -7.314   0.619
  266    HA   ALA  35           HA       ALA  35   8.983 -10.253   0.927
  267   1HB   ALA  35          1HB       ALA  35  11.419 -10.464   0.869
  268   2HB   ALA  35          2HB       ALA  35  10.695  -9.625  -0.536
  269   3HB   ALA  35          3HB       ALA  35  11.760  -8.743   0.686
  270    H    SER  36           H        SER  36   9.248 -11.287   2.829
  271    HA   SER  36           HA       SER  36   9.239 -10.155   5.443
  272   1HB   SER  36          1HB       SER  36   8.694 -12.711   4.463
  273   2HB   SER  36          2HB       SER  36  10.291 -13.027   5.393
  274    HG   SER  36           HG       SER  36   7.854 -11.940   6.291
  275    H    TRP  37           H        TRP  37  11.791 -11.077   3.674
  276    HA   TRP  37           HA       TRP  37  13.919 -10.527   5.528
  277   1HB   TRP  37          1HB       TRP  37  15.552 -11.051   3.479
  278   2HB   TRP  37          2HB       TRP  37  14.530 -12.346   4.221
  279    HD1  TRP  37           HD       TRP  37  12.611 -13.618   2.620
  280    HE1  TRP  37           1HE      TRP  37  12.219 -13.743   0.110
  281    HE3  TRP  37           3HE      TRP  37  15.771  -9.829   1.243
  282    HZ2  TRP  37           2HZ      TRP  37  12.996 -12.306  -2.145
  283    HZ3  TRP  37           3HZ      TRP  37  16.001  -9.156  -1.062
  284    HH2  TRP  37           HH       TRP  37  14.709 -10.286  -2.747
  285    H    CYS  38           H        CYS  38  13.448  -8.290   5.770
  286    HA   CYS  38           HA       CYS  38  14.628  -6.325   3.787
  287   1HB   CYS  38          1HB       CYS  38  12.574  -6.765   2.564
  288   2HB   CYS  38          2HB       CYS  38  11.607  -6.249   4.034
  289    HG   CYS  38           HG       CYS  38  12.520  -4.477   1.784
  290    HA   PRO  39           HA       PRO  39  14.992  -4.623   8.228
  291   1HB   PRO  39          1HB       PRO  39  17.530  -3.466   6.923
  292   2HB   PRO  39          2HB       PRO  39  17.283  -4.351   8.451
  293   1HG   PRO  39          1HG       PRO  39  18.430  -5.496   6.315
  294   2HG   PRO  39          2HG       PRO  39  17.512  -6.501   7.505
  295   1HD   PRO  39          1HD       PRO  39  16.701  -5.671   4.723
  296   2HD   PRO  39          2HD       PRO  39  16.361  -7.045   5.517
  297    HA   PRO  40           HA       PRO  40  14.705  -0.114   6.055
  298   1HB   PRO  40          1HB       PRO  40  13.896  -0.974   3.263
  299   2HB   PRO  40          2HB       PRO  40  14.687   0.533   3.837
  300   1HG   PRO  40          1HG       PRO  40  16.474  -1.346   2.865
  301   2HG   PRO  40          2HG       PRO  40  16.787  -0.670   4.480
  302   1HD   PRO  40          1HD       PRO  40  15.426  -3.433   4.114
  303   2HD   PRO  40          2HD       PRO  40  16.848  -2.970   5.090
  304    H    CYS  41           H        CYS  41  12.578  -2.603   4.801
  305    HA   CYS  41           HA       CYS  41  10.109  -1.122   5.477
  306   1HB   CYS  41          1HB       CYS  41  10.065  -3.976   4.579
  307   2HB   CYS  41          2HB       CYS  41   8.695  -2.954   4.844
  308    HG   CYS  41           HG       CYS  41   8.739  -2.394   2.687
  309    H    LYS  42           H        LYS  42  12.102  -3.359   7.270
  310    HA   LYS  42           HA       LYS  42  10.309  -3.694   9.496
  311   1HB   LYS  42          1HB       LYS  42  12.520  -5.024   9.098
  312   2HB   LYS  42          2HB       LYS  42  13.371  -3.561   9.809
  313   1HG   LYS  42          1HG       LYS  42  12.148  -3.799  11.879
  314   2HG   LYS  42          2HG       LYS  42  10.960  -4.869  11.149
  315   1HD   LYS  42          1HD       LYS  42  13.046  -6.563  10.724
  316   2HD   LYS  42          2HD       LYS  42  13.871  -5.403  11.828
  317   1HE   LYS  42          1HE       LYS  42  12.984  -7.338  13.188
  318   2HE   LYS  42          2HE       LYS  42  12.085  -5.902  13.673
  319   1HZ   LYS  42          1HZ       LYS  42  10.257  -6.781  12.937
  320   2HZ   LYS  42          2HZ       LYS  42  10.803  -7.185  11.462
  321    H    MET  43           H        MET  43  12.456  -1.030   8.773
  322    HA   MET  43           HA       MET  43  11.185   0.754  10.904
  323   1HB   MET  43          1HB       MET  43  12.320   2.737  10.022
  324   2HB   MET  43          2HB       MET  43  13.327   1.417  10.615
  325   1HG   MET  43          1HG       MET  43  13.823   0.834   8.185
  326   2HG   MET  43          2HG       MET  43  12.628   2.002   7.679
  327   1HE   MET  43          1HE       MET  43  16.133   2.336   6.877
  328   2HE   MET  43          2HE       MET  43  14.582   2.700   6.087
  329   3HE   MET  43          3HE       MET  43  15.672   4.014   6.531
  330    H    ILE  44           H        ILE  44  10.762   0.798   7.356
  331    HA   ILE  44           HA       ILE  44   8.483   2.445   7.403
  332    HB   ILE  44           HB       ILE  44   9.775   0.976   5.293
  333   1HG1  ILE  44          1HG1      ILE  44   8.384   2.662   3.910
  334   2HG1  ILE  44          2HG1      ILE  44   7.581   3.219   5.286
  335   1HG2  ILE  44          1HG2      ILE  44   6.790   0.470   4.731
  336   2HG2  ILE  44          2HG2      ILE  44   8.325   0.144   3.862
  337   3HG2  ILE  44          3HG2      ILE  44   8.089  -0.721   5.318
  338   1HD1  ILE  44          1HD1      ILE  44  10.433   3.582   4.760
  339   2HD1  ILE  44          2HD1      ILE  44   9.103   4.724   4.828
  340   3HD1  ILE  44          3HD1      ILE  44   9.731   4.053   6.296
  341    H    ALA  45           H        ALA  45   8.190  -0.838   8.274
  342    HA   ALA  45           HA       ALA  45   5.318  -0.982   8.158
  343   1HB   ALA  45          1HB       ALA  45   7.408  -2.584   9.964
  344   2HB   ALA  45          2HB       ALA  45   5.636  -2.873   9.778
  345   3HB   ALA  45          3HB       ALA  45   6.709  -3.038   8.390
  346    HA   PRO  46           HA       PRO  46   4.987   1.339  12.562
  347   1HB   PRO  46          1HB       PRO  46   7.960   2.225  12.412
  348   2HB   PRO  46          2HB       PRO  46   6.899   2.018  13.958
  349   1HG   PRO  46          1HG       PRO  46   8.781   0.230  13.366
  350   2HG   PRO  46          2HG       PRO  46   7.166  -0.329  13.879
  351   1HD   PRO  46          1HD       PRO  46   8.401  -0.178  11.058
  352   2HD   PRO  46          2HD       PRO  46   7.304  -1.443  11.699
  353    H    ILE  47           H        ILE  47   7.141   2.744   9.941
  354    HA   ILE  47           HA       ILE  47   5.951   5.455  10.288
  355    HB   ILE  47           HB       ILE  47   7.408   4.143   7.983
  356   1HG1  ILE  47          1HG1      ILE  47   8.952   4.325   9.804
  357   2HG1  ILE  47          2HG1      ILE  47   9.349   5.437   8.464
  358   1HG2  ILE  47          1HG2      ILE  47   6.075   5.821   6.930
  359   2HG2  ILE  47          2HG2      ILE  47   6.474   7.086   8.007
  360   3HG2  ILE  47          3HG2      ILE  47   7.744   6.380   6.916
  361   1HD1  ILE  47          1HD1      ILE  47   9.590   6.574  10.795
  362   2HD1  ILE  47          2HD1      ILE  47   8.454   7.423   9.789
  363   3HD1  ILE  47          3HD1      ILE  47   7.834   6.386  11.100
  364    H    PHE  48           H        PHE  48   5.138   2.811   8.104
  365    HA   PHE  48           HA       PHE  48   2.800   3.884   6.890
  366   1HB   PHE  48          1HB       PHE  48   4.054   1.316   7.036
  367   2HB   PHE  48          2HB       PHE  48   2.616   1.012   7.866
  368    HD1  PHE  48           1HD      PHE  48   1.855  -0.637   6.375
  369    HD2  PHE  48           2HD      PHE  48   3.104   3.143   4.728
  370    HE1  PHE  48           1HE      PHE  48   1.123  -1.322   4.069
  371    HE2  PHE  48           2HE      PHE  48   2.276   2.397   2.475
  372    HZ   PHE  48           HZ       PHE  48   1.323   0.233   2.198
  373    H    ALA  49           H        ALA  49   2.975   2.327   9.967
  374    HA   ALA  49           HA       ALA  49   0.137   2.746  10.794
  375   1HB   ALA  49          1HB       ALA  49   1.207   0.870  11.739
  376   2HB   ALA  49          2HB       ALA  49   2.695   1.775  12.211
  377   3HB   ALA  49          3HB       ALA  49   1.072   2.033  13.053
  378    H    GLU  50           H        GLU  50   3.079   4.623  11.551
  379    HA   GLU  50           HA       GLU  50   1.647   6.732  13.035
  380   1HB   GLU  50          1HB       GLU  50   4.245   6.239  12.996
  381   2HB   GLU  50          2HB       GLU  50   4.380   6.985  11.475
  382   1HG   GLU  50          1HG       GLU  50   3.715   9.236  12.572
  383   2HG   GLU  50          2HG       GLU  50   3.177   8.326  13.965
  384    HE2  GLU  50           HE       GLU  50   6.276   8.058  15.456
  385    H    LEU  51           H        LEU  51   2.559   6.592   9.709
  386    HA   LEU  51           HA       LEU  51   1.248   8.918   8.709
  387   1HB   LEU  51          1HB       LEU  51   3.178   7.916   7.618
  388   2HB   LEU  51          2HB       LEU  51   2.314   6.352   7.418
  389    HG   LEU  51           HG       LEU  51   2.890   7.927   5.476
  390   1HD1  LEU  51          1HD1      LEU  51  -0.034   6.795   5.762
  391   2HD1  LEU  51          2HD1      LEU  51   0.879   7.215   4.183
  392   3HD1  LEU  51          3HD1      LEU  51   1.420   5.873   5.315
  393   1HD2  LEU  51          1HD2      LEU  51   1.802  10.144   6.468
  394   2HD2  LEU  51          2HD2      LEU  51   1.082   9.741   4.868
  395   3HD2  LEU  51          3HD2      LEU  51   0.213   9.280   6.350
  396    H    ALA  52           H        ALA  52   0.028   5.663   8.915
  397    HA   ALA  52           HA       ALA  52  -2.712   6.226   7.727
  398   1HB   ALA  52          1HB       ALA  52  -1.918   3.802   7.850
  399   2HB   ALA  52          2HB       ALA  52  -1.778   3.933   9.602
  400   3HB   ALA  52          3HB       ALA  52  -3.313   4.146   8.776
  401    H    LYS  53           H        LYS  53  -1.363   6.369  10.916
  402    HA   LYS  53           HA       LYS  53  -3.816   7.236  12.403
  403   1HB   LYS  53          1HB       LYS  53  -0.933   7.687  13.169
  404   2HB   LYS  53          2HB       LYS  53  -2.224   8.318  14.152
  405   1HG   LYS  53          1HG       LYS  53  -3.081   6.269  14.798
  406   2HG   LYS  53          2HG       LYS  53  -2.144   5.338  13.635
  407   1HD   LYS  53          1HD       LYS  53  -0.059   5.775  14.657
  408   2HD   LYS  53          2HD       LYS  53  -0.720   6.949  15.773
  409   1HE   LYS  53          1HE       LYS  53  -2.253   5.067  16.651
  410   2HE   LYS  53          2HE       LYS  53  -1.385   3.937  15.549
  411   1HZ   LYS  53          1HZ       LYS  53  -0.150   5.567  17.776
  412   2HZ   LYS  53          2HZ       LYS  53  -0.549   4.026  17.963
  413    H    LYS  54           H        LYS  54  -1.467   9.100  10.503
  414    HA   LYS  54           HA       LYS  54  -2.356  11.759  11.164
  415   1HB   LYS  54          1HB       LYS  54  -0.081  10.947  10.514
  416   2HB   LYS  54          2HB       LYS  54  -0.617  10.852   8.821
  417   1HG   LYS  54          1HG       LYS  54  -1.216  13.320   9.018
  418   2HG   LYS  54          2HG       LYS  54  -0.625  13.476  10.609
  419   1HD   LYS  54          1HD       LYS  54   0.941  12.560   8.157
  420   2HD   LYS  54          2HD       LYS  54   0.956  14.230   8.824
  421   1HE   LYS  54          1HE       LYS  54   1.922  13.328  10.952
  422   2HE   LYS  54          2HE       LYS  54   2.110  11.642  10.199
  423   1HZ   LYS  54          1HZ       LYS  54   4.029  13.369  10.144
  424   2HZ   LYS  54          2HZ       LYS  54   3.874  12.377   8.860
  425    H    PHE  55           H        PHE  55  -3.245   9.444   8.778
  426    HA   PHE  55           HA       PHE  55  -4.825  11.346   7.098
  427   1HB   PHE  55          1HB       PHE  55  -2.563   9.406   6.638
  428   2HB   PHE  55          2HB       PHE  55  -3.696   9.275   5.493
  429    HD1  PHE  55           1HD      PHE  55  -0.920  11.063   6.607
  430    HD2  PHE  55           2HD      PHE  55  -4.627  11.815   4.484
  431    HE1  PHE  55           1HE      PHE  55  -0.029  13.125   5.573
  432    HE2  PHE  55           2HE      PHE  55  -3.611  13.937   3.583
  433    HZ   PHE  55           HZ       PHE  55  -1.468  14.599   4.288
  434    HA   PRO  56           HA       PRO  56  -8.199   8.316   8.092
  435   1HB   PRO  56          1HB       PRO  56 -10.343   9.921   8.171
  436   2HB   PRO  56          2HB       PRO  56  -9.026   9.728   9.460
  437   1HG   PRO  56          1HG       PRO  56  -9.168  11.846   7.218
  438   2HG   PRO  56          2HG       PRO  56  -8.903  12.193   8.922
  439   1HD   PRO  56          1HD       PRO  56  -6.828  11.993   7.101
  440   2HD   PRO  56          2HD       PRO  56  -6.650  11.509   8.838
  441    H    ASN  57           H        ASN  57  -8.131   9.765   4.892
  442    HA   ASN  57           HA       ASN  57 -10.776   8.931   3.910
  443   1HB   ASN  57          1HB       ASN  57 -10.245  10.063   2.008
  444   2HB   ASN  57          2HB       ASN  57 -10.197  11.057   3.445
  445   1HD2  ASN  57          2HD2      ASN  57  -8.525  12.667   3.616
  446   2HD2  ASN  57          1HD2      ASN  57  -6.990  12.457   2.607
  447    H    VAL  58           H        VAL  58  -8.001   7.418   4.700
  448    HA   VAL  58           HA       VAL  58  -7.447   5.975   2.141
  449    HB   VAL  58           HB       VAL  58  -6.359   7.958   1.830
  450   1HG1  VAL  58          1HG1      VAL  58  -4.972   7.493   4.465
  451   2HG1  VAL  58          2HG1      VAL  58  -4.516   8.779   3.375
  452   3HG1  VAL  58          3HG1      VAL  58  -6.164   8.839   4.096
  453   1HG2  VAL  58          1HG2      VAL  58  -5.045   5.943   1.067
  454   2HG2  VAL  58          2HG2      VAL  58  -4.016   7.292   1.565
  455   3HG2  VAL  58          3HG2      VAL  58  -4.257   6.020   2.687
  456    H    THR  59           H        THR  59  -7.611   4.082   2.525
  457    HA   THR  59           HA       THR  59  -6.756   2.722   4.961
  458    HB   THR  59           HB       THR  59  -8.157   1.801   2.329
  459    HG1  THR  59           1HG      THR  59  -9.052   2.886   4.091
  460   1HG2  THR  59          1HG2      THR  59  -7.431  -0.190   4.571
  461   2HG2  THR  59          2HG2      THR  59  -8.568  -0.401   3.228
  462   3HG2  THR  59          3HG2      THR  59  -6.908  -0.235   2.797
  463    H    PHE  60           H        PHE  60  -5.193   0.780   4.782
  464    HA   PHE  60           HA       PHE  60  -3.003   0.917   2.820
  465   1HB   PHE  60          1HB       PHE  60  -2.631   1.204   5.921
  466   2HB   PHE  60          2HB       PHE  60  -1.358   0.972   4.827
  467    HD1  PHE  60           1HD      PHE  60  -0.596   2.735   3.366
  468    HD2  PHE  60           2HD      PHE  60  -3.863   3.455   6.253
  469    HE1  PHE  60           1HE      PHE  60  -0.402   5.215   3.095
  470    HE2  PHE  60           2HE      PHE  60  -3.767   5.796   5.654
  471    HZ   PHE  60           HZ       PHE  60  -2.022   6.689   4.222
  472    H    LEU  61           H        LEU  61  -2.241  -1.000   2.468
  473    HA   LEU  61           HA       LEU  61  -2.266  -3.212   4.406
  474   1HB   LEU  61          1HB       LEU  61  -3.579  -4.593   3.063
  475   2HB   LEU  61          2HB       LEU  61  -4.461  -3.173   3.071
  476    HG   LEU  61           HG       LEU  61  -3.244  -2.744   0.643
  477   1HD1  LEU  61          1HD1      LEU  61  -3.075  -5.841   0.948
  478   2HD1  LEU  61          2HD1      LEU  61  -3.153  -5.086  -0.566
  479   3HD1  LEU  61          3HD1      LEU  61  -1.767  -4.707   0.461
  480   1HD2  LEU  61          1HD2      LEU  61  -5.661  -3.030   1.087
  481   2HD2  LEU  61          2HD2      LEU  61  -5.138  -3.872  -0.455
  482   3HD2  LEU  61          3HD2      LEU  61  -5.513  -4.824   1.089
  483    H    LYS  62           H        LYS  62  -1.101  -4.929   3.788
  484    HA   LYS  62           HA       LYS  62   1.490  -4.284   2.384
  485   1HB   LYS  62          1HB       LYS  62   2.845  -5.188   4.266
  486   2HB   LYS  62          2HB       LYS  62   2.246  -3.682   4.417
  487   1HG   LYS  62          1HG       LYS  62   0.477  -4.406   6.040
  488   2HG   LYS  62          2HG       LYS  62   1.065  -6.044   5.892
  489   1HD   LYS  62          1HD       LYS  62   3.323  -5.189   6.517
  490   2HD   LYS  62          2HD       LYS  62   2.710  -3.613   6.857
  491   1HE   LYS  62          1HE       LYS  62   2.312  -6.293   8.348
  492   2HE   LYS  62          2HE       LYS  62   3.182  -4.788   8.853
  493   1HZ   LYS  62          1HZ       LYS  62   0.694  -5.410   9.596
  494   2HZ   LYS  62          2HZ       LYS  62   0.285  -4.791   8.134
  495    H    VAL  63           H        VAL  63   1.661  -5.673   1.091
  496    HA   VAL  63           HA       VAL  63   0.688  -8.541   1.250
  497    HB   VAL  63           HB       VAL  63   1.826  -7.102  -1.245
  498   1HG1  VAL  63          1HG1      VAL  63   0.857  -9.879  -0.767
  499   2HG1  VAL  63          2HG1      VAL  63   1.055  -9.134  -2.422
  500   3HG1  VAL  63          3HG1      VAL  63   2.448  -9.260  -1.289
  501   1HG2  VAL  63          1HG2      VAL  63  -1.106  -8.104  -0.661
  502   2HG2  VAL  63          2HG2      VAL  63  -0.562  -6.353  -0.499
  503   3HG2  VAL  63          3HG2      VAL  63  -0.529  -7.205  -2.082
  504    H    ASP  64           H        ASP  64   2.121  -9.790   1.855
  505    HA   ASP  64           HA       ASP  64   5.114  -9.455   1.981
  506   1HB   ASP  64          1HB       ASP  64   3.976 -10.443   4.016
  507   2HB   ASP  64          2HB       ASP  64   3.192 -11.670   2.947
  508    HD2  ASP  64           HD       ASP  64   6.385 -13.294   2.657
  509    H    VAL  65           H        VAL  65   6.034  -9.864   0.232
  510    HA   VAL  65           HA       VAL  65   4.799 -10.703  -2.136
  511    HB   VAL  65           HB       VAL  65   6.699  -9.103  -1.838
  512   1HG1  VAL  65          1HG1      VAL  65   8.755 -10.165  -1.303
  513   2HG1  VAL  65          2HG1      VAL  65   8.571 -11.458  -2.390
  514   3HG1  VAL  65          3HG1      VAL  65   9.004  -9.953  -3.094
  515   1HG2  VAL  65          1HG2      VAL  65   6.871 -10.927  -4.401
  516   2HG2  VAL  65          2HG2      VAL  65   5.555  -9.765  -4.309
  517   3HG2  VAL  65          3HG2      VAL  65   7.185  -9.168  -4.319
  518    H    ASP  66           H        ASP  66   6.888 -12.442  -0.041
  519    HA   ASP  66           HA       ASP  66   7.772 -14.614  -1.549
  520   1HB   ASP  66          1HB       ASP  66   6.975 -14.779   1.442
  521   2HB   ASP  66          2HB       ASP  66   7.937 -16.019   0.573
  522    HD2  ASP  66           HD       ASP  66   9.686 -12.600   1.361
  523    H    GLU  67           H        GLU  67   4.585 -14.689   0.396
  524    HA   GLU  67           HA       GLU  67   3.517 -16.999  -1.109
  525   1HB   GLU  67          1HB       GLU  67   2.236 -14.843   0.798
  526   2HB   GLU  67          2HB       GLU  67   1.442 -16.148  -0.084
  527   1HG   GLU  67          1HG       GLU  67   2.753 -17.909   1.088
  528   2HG   GLU  67          2HG       GLU  67   3.719 -16.615   1.733
  529    HE2  GLU  67           HE       GLU  67   0.419 -17.708   3.564
  530    H    LEU  68           H        LEU  68   3.818 -13.784  -2.331
  531    HA   LEU  68           HA       LEU  68   1.764 -14.256  -4.524
  532   1HB   LEU  68          1HB       LEU  68   1.579 -11.996  -2.395
  533   2HB   LEU  68          2HB       LEU  68   0.586 -11.852  -3.853
  534    HG   LEU  68           HG       LEU  68   0.263 -13.875  -1.531
  535   1HD1  LEU  68          1HD1      LEU  68  -1.723 -12.476  -1.006
  536   2HD1  LEU  68          2HD1      LEU  68  -0.564 -11.299  -1.531
  537   3HD1  LEU  68          3HD1      LEU  68  -1.756 -11.850  -2.704
  538   1HD2  LEU  68          1HD2      LEU  68  -1.313 -13.808  -4.150
  539   2HD2  LEU  68          2HD2      LEU  68  -0.472 -15.153  -3.561
  540   3HD2  LEU  68          3HD2      LEU  68  -1.859 -14.742  -2.680
  541    H    LYS  69           H        LYS  69   4.056 -14.195  -4.856
  542    HA   LYS  69           HA       LYS  69   5.349 -11.691  -6.025
  543   1HB   LYS  69          1HB       LYS  69   7.036 -13.040  -7.333
  544   2HB   LYS  69          2HB       LYS  69   6.903 -13.179  -5.545
  545   1HG   LYS  69          1HG       LYS  69   6.682 -15.420  -5.590
  546   2HG   LYS  69          2HG       LYS  69   5.489 -15.298  -6.994
  547   1HD   LYS  69          1HD       LYS  69   7.360 -16.494  -7.649
  548   2HD   LYS  69          2HD       LYS  69   7.564 -14.878  -8.329
  549   1HE   LYS  69          1HE       LYS  69   9.208 -14.470  -6.135
  550   2HE   LYS  69          2HE       LYS  69   8.957 -16.160  -5.792
  551   1HZ   LYS  69          1HZ       LYS  69   9.991 -16.485  -8.033
  552   2HZ   LYS  69          2HZ       LYS  69   9.884 -14.960  -8.308
  553    H    ALA  70           H        ALA  70   3.559 -14.120  -7.588
  554    HA   ALA  70           HA       ALA  70   3.897 -13.371 -10.358
  555   1HB   ALA  70          1HB       ALA  70   2.451 -15.194 -10.819
  556   2HB   ALA  70          2HB       ALA  70   3.505 -15.619  -9.627
  557   3HB   ALA  70          3HB       ALA  70   1.911 -15.236  -9.138
  558    H    VAL  71           H        VAL  71   0.912 -13.014  -8.348
  559    HA   VAL  71           HA       VAL  71  -0.195 -10.731  -9.699
  560    HB   VAL  71           HB       VAL  71  -1.329 -11.976  -8.021
  561   1HG1  VAL  71          1HG1      VAL  71  -1.186 -11.462  -5.758
  562   2HG1  VAL  71          2HG1      VAL  71   0.360 -11.862  -6.268
  563   3HG1  VAL  71          3HG1      VAL  71  -0.069 -10.037  -5.844
  564   1HG2  VAL  71          1HG2      VAL  71  -2.723 -10.045  -7.324
  565   2HG2  VAL  71          2HG2      VAL  71  -1.254  -8.884  -7.510
  566   3HG2  VAL  71          3HG2      VAL  71  -2.221  -9.611  -8.948
  567    H    ALA  72           H        ALA  72   1.950 -10.389  -6.949
  568    HA   ALA  72           HA       ALA  72   2.170  -7.550  -6.952
  569   1HB   ALA  72          1HB       ALA  72   4.499  -9.060  -6.290
  570   2HB   ALA  72          2HB       ALA  72   4.361  -7.342  -6.102
  571   3HB   ALA  72          3HB       ALA  72   3.420  -8.463  -5.021
  572    H    GLU  73           H        GLU  73   3.983  -9.345  -9.016
  573    HA   GLU  73           HA       GLU  73   5.615  -7.438 -10.346
  574   1HB   GLU  73          1HB       GLU  73   4.934 -10.378 -10.758
  575   2HB   GLU  73          2HB       GLU  73   5.397  -9.520 -12.075
  576   1HG   GLU  73          1HG       GLU  73   7.573  -9.213 -10.829
  577   2HG   GLU  73          2HG       GLU  73   6.856  -9.739  -9.289
  578    HE2  GLU  73           HE       GLU  73   6.786 -11.807  -8.919
  579    H    GLU  74           H        GLU  74   2.493  -9.222 -11.004
  580    HA   GLU  74           HA       GLU  74   1.953  -7.775 -13.327
  581   1HB   GLU  74          1HB       GLU  74   0.303  -9.359 -13.669
  582   2HB   GLU  74          2HB       GLU  74   0.905 -10.124 -12.386
  583   1HG   GLU  74          1HG       GLU  74  -1.009  -9.992 -11.385
  584   2HG   GLU  74          2HG       GLU  74  -1.006  -8.403 -10.962
  585    HE2  GLU  74           HE       GLU  74  -2.340  -7.074 -11.654
  586    H    TRP  75           H        TRP  75   1.263  -6.860 -10.186
  587    HA   TRP  75           HA       TRP  75  -0.484  -4.550 -10.796
  588   1HB   TRP  75          1HB       TRP  75   1.240  -4.660  -8.222
  589   2HB   TRP  75          2HB       TRP  75   0.018  -3.382  -8.728
  590    HD1  TRP  75           HD       TRP  75   0.216  -6.707  -6.716
  591    HE1  TRP  75           1HE      TRP  75  -2.092  -7.785  -6.169
  592    HE3  TRP  75           3HE      TRP  75  -2.613  -3.587  -9.731
  593    HZ2  TRP  75           2HZ      TRP  75  -4.204  -7.671  -7.539
  594    HZ3  TRP  75           3HZ      TRP  75  -4.748  -4.549 -10.283
  595    HH2  TRP  75           HH       TRP  75  -5.535  -6.720  -9.463
  596    H    ASN  76           H        ASN  76   3.051  -4.790 -10.059
  597    HA   ASN  76           HA       ASN  76   3.983  -4.286 -12.468
  598   1HB   ASN  76          1HB       ASN  76   2.590  -2.407 -13.159
  599   2HB   ASN  76          2HB       ASN  76   3.416  -1.439 -11.835
  600   1HD2  ASN  76          1HD2      ASN  76   4.065  -3.511 -14.421
  601   2HD2  ASN  76          2HD2      ASN  76   5.139  -2.589 -15.492
  602    H    VAL  77           H        VAL  77   4.885  -5.189 -10.346
  603    HA   VAL  77           HA       VAL  77   7.048  -3.599  -8.857
  604    HB   VAL  77           HB       VAL  77   5.784  -6.226  -7.932
  605   1HG1  VAL  77          1HG1      VAL  77   7.529  -4.507  -6.258
  606   2HG1  VAL  77          2HG1      VAL  77   6.476  -5.890  -5.781
  607   3HG1  VAL  77          3HG1      VAL  77   7.837  -6.196  -6.821
  608   1HG2  VAL  77          1HG2      VAL  77   4.217  -4.198  -8.121
  609   2HG2  VAL  77          2HG2      VAL  77   4.346  -4.642  -6.561
  610   3HG2  VAL  77          3HG2      VAL  77   5.248  -3.187  -7.138
  611    H    GLU  78           H        GLU  78   8.363  -4.008 -10.605
  612    HA   GLU  78           HA       GLU  78  10.094  -6.558 -10.625
  613   1HB   GLU  78          1HB       GLU  78  11.959  -5.189 -11.549
  614   2HB   GLU  78          2HB       GLU  78  10.459  -5.540 -12.497
  615   1HG   GLU  78          1HG       GLU  78  10.856  -3.116 -12.927
  616   2HG   GLU  78          2HG       GLU  78   9.448  -3.126 -12.207
  617    HE2  GLU  78           HE       GLU  78  12.985  -2.953 -11.228
  618    H    ALA  79           H        ALA  79   9.818  -4.577  -8.166
  619    HA   ALA  79           HA       ALA  79  12.333  -5.059  -6.891
  620   1HB   ALA  79          1HB       ALA  79  13.319  -2.702  -6.915
  621   2HB   ALA  79          2HB       ALA  79  13.209  -3.449  -8.393
  622   3HB   ALA  79          3HB       ALA  79  11.886  -2.152  -7.887
  623    H    MET  80           H        MET  80  12.810  -4.471  -4.790
  624    HA   MET  80           HA       MET  80  10.476  -4.369  -3.120
  625   1HB   MET  80          1HB       MET  80  13.083  -5.714  -2.298
  626   2HB   MET  80          2HB       MET  80  11.587  -5.337  -1.393
  627   1HG   MET  80          1HG       MET  80  11.343  -6.816  -4.219
  628   2HG   MET  80          2HG       MET  80  11.984  -7.785  -2.800
  629   1HE   MET  80          1HE       MET  80   7.517  -7.027  -3.626
  630   2HE   MET  80          2HE       MET  80   8.369  -5.572  -3.906
  631   3HE   MET  80          3HE       MET  80   8.736  -7.274  -4.781
  632    HA   PRO  81           HA       PRO  81   9.466  -2.926  -2.879
  633   1HB   PRO  81          1HB       PRO  81   8.639  -2.643  -0.189
  634   2HB   PRO  81          2HB       PRO  81  10.159  -3.522  -0.522
  635   1HG   PRO  81          1HG       PRO  81  10.241  -0.535   0.157
  636   2HG   PRO  81          2HG       PRO  81  11.302  -1.872   0.552
  637   1HD   PRO  81          1HD       PRO  81  11.677  -0.227  -1.781
  638   2HD   PRO  81          2HD       PRO  81  12.874  -1.233  -0.840
  639    H    THR  82           H        THR  82   7.708  -2.298  -2.890
  640    HA   THR  82           HA       THR  82   7.341   0.278  -4.370
  641    HB   THR  82           HB       THR  82   5.989  -2.107  -5.376
  642    HG1  THR  82           1HG      THR  82   7.807  -2.857  -6.237
  643   1HG2  THR  82          1HG2      THR  82   6.902   0.247  -7.259
  644   2HG2  THR  82          2HG2      THR  82   5.866  -1.163  -7.385
  645   3HG2  THR  82          3HG2      THR  82   5.416   0.105  -6.371
  646    H    PHE  83           H        PHE  83   5.502   1.106  -4.555
  647    HA   PHE  83           HA       PHE  83   3.351   0.822  -2.546
  648   1HB   PHE  83          1HB       PHE  83   4.340   3.515  -2.664
  649   2HB   PHE  83          2HB       PHE  83   3.243   2.943  -1.582
  650    HD1  PHE  83           1HD      PHE  83   6.746   3.206  -1.715
  651    HD2  PHE  83           2HD      PHE  83   3.591   1.202   0.233
  652    HE1  PHE  83           1HE      PHE  83   8.052   2.916   0.456
  653    HE2  PHE  83           2HE      PHE  83   4.856   0.802   2.210
  654    HZ   PHE  83           HZ       PHE  83   7.128   1.392   2.275
  655    H    ILE  84           H        ILE  84   1.910   0.660  -3.963
  656    HA   ILE  84           HA       ILE  84   1.260   2.406  -6.370
  657    HB   ILE  84           HB       ILE  84   0.322  -0.480  -6.131
  658   1HG1  ILE  84          1HG1      ILE  84   2.994   0.605  -6.824
  659   2HG1  ILE  84          2HG1      ILE  84   2.811  -0.545  -5.731
  660   1HG2  ILE  84          1HG2      ILE  84   0.895   1.247  -8.636
  661   2HG2  ILE  84          2HG2      ILE  84   0.072  -0.402  -8.617
  662   3HG2  ILE  84          3HG2      ILE  84  -0.641   0.923  -8.004
  663   1HD1  ILE  84          1HD1      ILE  84   2.090  -2.124  -7.837
  664   2HD1  ILE  84          2HD1      ILE  84   2.993  -0.946  -8.849
  665   3HD1  ILE  84          3HD1      ILE  84   3.746  -1.885  -7.524
  666    H    PHE  85           H        PHE  85  -0.665   2.669  -6.678
  667    HA   PHE  85           HA       PHE  85  -2.313   3.446  -4.233
  668   1HB   PHE  85          1HB       PHE  85  -1.300   5.371  -6.408
  669   2HB   PHE  85          2HB       PHE  85  -2.567   5.790  -5.329
  670    HD1  PHE  85           1HD      PHE  85   1.075   4.788  -5.178
  671    HD2  PHE  85           2HD      PHE  85  -2.230   6.730  -3.196
  672    HE1  PHE  85           1HE      PHE  85   2.547   5.600  -3.302
  673    HE2  PHE  85           2HE      PHE  85  -0.702   7.328  -1.370
  674    HZ   PHE  85           HZ       PHE  85   1.771   7.259  -1.826
  675    H    LEU  86           H        LEU  86  -4.319   2.746  -4.659
  676    HA   LEU  86           HA       LEU  86  -5.677   2.410  -7.484
  677   1HB   LEU  86          1HB       LEU  86  -4.339   0.462  -6.103
  678   2HB   LEU  86          2HB       LEU  86  -5.702   0.313  -5.131
  679    HG   LEU  86           HG       LEU  86  -6.135  -1.342  -6.806
  680   1HD1  LEU  86          1HD1      LEU  86  -8.063  -0.993  -7.905
  681   2HD1  LEU  86          2HD1      LEU  86  -8.282   0.359  -6.660
  682   3HD1  LEU  86          3HD1      LEU  86  -7.862   0.643  -8.283
  683   1HD2  LEU  86          1HD2      LEU  86  -4.251  -0.411  -8.257
  684   2HD2  LEU  86          2HD2      LEU  86  -5.590  -1.266  -9.097
  685   3HD2  LEU  86          3HD2      LEU  86  -5.517   0.466  -9.054
  686    H    LYS  87           H        LYS  87  -7.237   3.596  -7.276
  687    HA   LYS  87           HA       LYS  87  -8.862   4.277  -4.850
  688   1HB   LYS  87          1HB       LYS  87  -7.125   6.054  -5.959
  689   2HB   LYS  87          2HB       LYS  87  -8.192   6.050  -7.276
  690   1HG   LYS  87          1HG       LYS  87  -9.990   6.946  -5.768
  691   2HG   LYS  87          2HG       LYS  87  -8.882   6.742  -4.391
  692   1HD   LYS  87          1HD       LYS  87  -7.432   8.519  -5.896
  693   2HD   LYS  87          2HD       LYS  87  -8.798   8.679  -7.065
  694   1HE   LYS  87          1HE       LYS  87 -10.245   9.413  -5.000
  695   2HE   LYS  87          2HE       LYS  87  -8.817   9.280  -3.972
  696   1HZ   LYS  87          1HZ       LYS  87  -7.731  10.810  -5.588
  697   2HZ   LYS  87          2HZ       LYS  87  -9.155  10.993  -6.407
  698    H    ASP  88           H        ASP  88 -11.156   4.528  -5.376
  699    HA   ASP  88           HA       ASP  88 -12.599   3.423  -7.353
  700   1HB   ASP  88          1HB       ASP  88 -14.434   4.899  -7.021
  701   2HB   ASP  88          2HB       ASP  88 -13.673   4.656  -5.585
  702    HD2  ASP  88           HD       ASP  88 -12.728   8.137  -5.336
  703    H    GLY  89           H        GLY  89 -10.535   4.034  -8.980
  704   1HA   GLY  89          1HA       GLY  89 -11.880   4.487 -11.499
  705   2HA   GLY  89          2HA       GLY  89 -10.976   5.861 -11.100
  706    H    LYS  90           H        LYS  90 -10.250   2.636 -10.392
  707    HA   LYS  90           HA       LYS  90  -8.707   1.051 -11.026
  708   1HB   LYS  90          1HB       LYS  90  -9.353   1.755 -13.683
  709   2HB   LYS  90          2HB       LYS  90  -7.719   2.106 -13.635
  710   1HG   LYS  90          1HG       LYS  90  -6.899   0.114 -13.142
  711   2HG   LYS  90          2HG       LYS  90  -8.496  -0.560 -12.599
  712   1HD   LYS  90          1HD       LYS  90  -7.766  -0.011 -15.553
  713   2HD   LYS  90          2HD       LYS  90  -7.685  -1.480 -14.586
  714   1HE   LYS  90          1HE       LYS  90 -10.028  -1.536 -14.127
  715   2HE   LYS  90          2HE       LYS  90 -10.311  -0.082 -15.144
  716   1HZ   LYS  90          1HZ       LYS  90 -10.769  -1.631 -16.639
  717   2HZ   LYS  90          2HZ       LYS  90  -9.997  -2.763 -15.828
  718    H    LEU  91           H        LEU  91  -6.134   1.023 -11.756
  719    HA   LEU  91           HA       LEU  91  -4.429   2.144 -10.003
  720   1HB   LEU  91          1HB       LEU  91  -3.810   0.507 -11.491
  721   2HB   LEU  91          2HB       LEU  91  -3.838   1.561 -12.899
  722    HG   LEU  91           HG       LEU  91  -1.966   2.800 -12.256
  723   1HD1  LEU  91          1HD1      LEU  91  -0.696   2.272 -10.246
  724   2HD1  LEU  91          2HD1      LEU  91  -2.247   2.627  -9.633
  725   3HD1  LEU  91          3HD1      LEU  91  -1.740   0.857  -9.692
  726   1HD2  LEU  91          1HD2      LEU  91  -0.181   0.977 -12.469
  727   2HD2  LEU  91          2HD2      LEU  91  -1.230  -0.402 -12.030
  728   3HD2  LEU  91          3HD2      LEU  91  -1.546   0.561 -13.440
  729    H    VAL  92           H        VAL  92  -4.281   4.184  -9.318
  730    HA   VAL  92           HA       VAL  92  -4.283   6.543 -11.038
  731    HB   VAL  92           HB       VAL  92  -4.496   7.885  -9.021
  732   1HG1  VAL  92          1HG1      VAL  92  -7.009   7.604  -8.694
  733   2HG1  VAL  92          2HG1      VAL  92  -6.655   6.883 -10.268
  734   3HG1  VAL  92          3HG1      VAL  92  -6.834   5.871  -8.787
  735   1HG2  VAL  92          1HG2      VAL  92  -5.191   5.255  -7.446
  736   2HG2  VAL  92          2HG2      VAL  92  -3.646   6.142  -7.124
  737   3HG2  VAL  92          3HG2      VAL  92  -5.168   6.915  -6.836
  738    H    ASP  93           H        ASP  93  -1.872   5.068  -8.649
  739    HA   ASP  93           HA       ASP  93   0.211   6.389 -10.143
  740   1HB   ASP  93          1HB       ASP  93  -0.992   8.278  -8.645
  741   2HB   ASP  93          2HB       ASP  93  -0.499   7.464  -7.334
  742    HD2  ASP  93           HD       ASP  93   1.571   8.315  -6.765
  743    H    LYS  94           H        LYS  94   2.451   6.309  -9.114
  744    HA   LYS  94           HA       LYS  94   2.713   3.859  -7.438
  745   1HB   LYS  94          1HB       LYS  94   3.848   2.537  -9.033
  746   2HB   LYS  94          2HB       LYS  94   2.190   2.789  -9.302
  747   1HG   LYS  94          1HG       LYS  94   4.627   3.952 -10.658
  748   2HG   LYS  94          2HG       LYS  94   3.850   2.710 -11.486
  749   1HD   LYS  94          1HD       LYS  94   2.876   5.492 -11.280
  750   2HD   LYS  94          2HD       LYS  94   3.464   4.628 -12.715
  751   1HE   LYS  94          1HE       LYS  94   1.321   3.046 -12.339
  752   2HE   LYS  94          2HE       LYS  94   0.851   4.272 -11.174
  753   1HZ   LYS  94          1HZ       LYS  94   0.824   5.889 -12.919
  754   2HZ   LYS  94          2HZ       LYS  94  -0.098   4.638 -13.505
  755    H    THR  95           H        THR  95   4.807   3.725  -6.631
  756    HA   THR  95           HA       THR  95   7.199   5.086  -7.653
  757    HB   THR  95           HB       THR  95   5.884   6.160  -5.152
  758    HG1  THR  95           1HG      THR  95   6.408   7.550  -7.580
  759   1HG2  THR  95          1HG2      THR  95   7.880   8.013  -5.374
  760   2HG2  THR  95          2HG2      THR  95   8.537   6.320  -5.103
  761   3HG2  THR  95          3HG2      THR  95   8.472   6.989  -6.672
  762    H    VAL  96           H        VAL  96   8.704   3.784  -6.738
  763    HA   VAL  96           HA       VAL  96   8.686   1.842  -4.547
  764    HB   VAL  96           HB       VAL  96   8.632   0.942  -6.645
  765   1HG1  VAL  96          1HG1      VAL  96  10.765   2.302  -7.978
  766   2HG1  VAL  96          2HG1      VAL  96   9.596   1.119  -8.702
  767   3HG1  VAL  96          3HG1      VAL  96   9.000   2.693  -8.252
  768   1HG2  VAL  96          1HG2      VAL  96  11.808   0.820  -6.279
  769   2HG2  VAL  96          2HG2      VAL  96  10.780   0.306  -4.915
  770   3HG2  VAL  96          3HG2      VAL  96  10.829  -0.590  -6.515
  771    H    GLY  97           H        GLY  97   9.460   2.685  -2.993
  772   1HA   GLY  97          1HA       GLY  97  12.132   3.350  -2.358
  773   2HA   GLY  97          2HA       GLY  97  11.255   4.962  -2.694
  774    H    ALA  98           H        ALA  98  12.360   2.763  -0.439
  775    HA   ALA  98           HA       ALA  98  10.506   3.111   1.797
  776   1HB   ALA  98          1HB       ALA  98  11.664   0.973   1.499
  777   2HB   ALA  98          2HB       ALA  98  13.154   1.831   1.926
  778   3HB   ALA  98          3HB       ALA  98  11.779   1.943   3.099
  779    H    ASP  99           H        ASP  99  10.491   5.204   2.852
  780    HA   ASP  99           HA       ASP  99  13.047   6.510   3.391
  781   1HB   ASP  99          1HB       ASP  99  12.420   7.056   0.891
  782   2HB   ASP  99          2HB       ASP  99  11.255   8.209   1.443
  783    HD2  ASP  99           HD       ASP  99  13.452  10.486   2.646
  784    H    LYS 100           H        LYS 100  12.238   7.247   5.467
  785    HA   LYS 100           HA       LYS 100   9.789   7.218   6.527
  786   1HB   LYS 100          1HB       LYS 100  10.526   8.389   8.397
  787   2HB   LYS 100          2HB       LYS 100  11.806   7.156   7.733
  788   1HG   LYS 100          1HG       LYS 100  13.085   8.815   6.776
  789   2HG   LYS 100          2HG       LYS 100  12.162  10.075   7.669
  790   1HD   LYS 100          1HD       LYS 100  12.894   8.921   9.855
  791   2HD   LYS 100          2HD       LYS 100  13.874   7.657   8.845
  792   1HE   LYS 100          1HE       LYS 100  15.040   9.966   7.898
  793   2HE   LYS 100          2HE       LYS 100  14.370  10.777   9.177
  794   1HZ   LYS 100          1HZ       LYS 100  15.685   9.400  10.691
  795   2HZ   LYS 100          2HZ       LYS 100  15.977   8.241   9.572
  796    H    ASP 101           H        ASP 101  11.342  10.155   5.718
  797    HA   ASP 101           HA       ASP 101   9.003  11.991   5.920
  798   1HB   ASP 101          1HB       ASP 101  10.358  13.698   5.312
  799   2HB   ASP 101          2HB       ASP 101  11.369  12.690   6.323
  800    HD2  ASP 101           HD       ASP 101  12.127  13.782   2.493
  801    H    GLY 102           H        GLY 102  10.454  10.420   3.111
  802   1HA   GLY 102          1HA       GLY 102   9.310  11.498   0.837
  803   2HA   GLY 102          2HA       GLY 102   9.711   9.905   0.904
  804    H    LEU 103           H        LEU 103   8.220   8.528   2.078
  805    HA   LEU 103           HA       LEU 103   5.737   8.060   0.783
  806   1HB   LEU 103          1HB       LEU 103   7.134   6.417   2.063
  807   2HB   LEU 103          2HB       LEU 103   6.701   7.237   3.489
  808    HG   LEU 103           HG       LEU 103   4.263   6.658   2.948
  809   1HD1  LEU 103          1HD1      LEU 103   3.769   4.682   1.850
  810   2HD1  LEU 103          2HD1      LEU 103   4.563   5.865   0.725
  811   3HD1  LEU 103          3HD1      LEU 103   5.536   4.476   1.305
  812   1HD2  LEU 103          1HD2      LEU 103   4.428   4.729   4.416
  813   2HD2  LEU 103          2HD2      LEU 103   6.105   4.394   3.837
  814   3HD2  LEU 103          3HD2      LEU 103   5.724   5.576   4.903
  815    HA   PRO 104           HA       PRO 104   3.041  10.688   4.266
  816   1HB   PRO 104          1HB       PRO 104   5.529  12.268   5.168
  817   2HB   PRO 104          2HB       PRO 104   4.107  11.926   6.166
  818   1HG   PRO 104          1HG       PRO 104   6.186  10.440   6.684
  819   2HG   PRO 104          2HG       PRO 104   4.586   9.619   6.558
  820   1HD   PRO 104          1HD       PRO 104   6.933   9.546   4.558
  821   2HD   PRO 104          2HD       PRO 104   5.744   8.281   4.916
  822    H    THR 105           H        THR 105   5.798  12.265   2.616
  823    HA   THR 105           HA       THR 105   4.234  14.648   1.838
  824    HB   THR 105           HB       THR 105   6.912  13.349   0.776
  825    HG1  THR 105           1HG      THR 105   6.697  14.036   2.967
  826   1HG2  THR 105          1HG2      THR 105   7.402  15.599  -0.178
  827   2HG2  THR 105          2HG2      THR 105   5.934  14.926  -0.927
  828   3HG2  THR 105          3HG2      THR 105   5.781  16.090   0.415
  829    H    LEU 106           H        LEU 106   5.146  11.722  -0.174
  830    HA   LEU 106           HA       LEU 106   3.504  12.197  -2.471
  831   1HB   LEU 106          1HB       LEU 106   5.344  10.831  -2.437
  832   2HB   LEU 106          2HB       LEU 106   4.642   9.697  -1.179
  833    HG   LEU 106           HG       LEU 106   3.063   8.841  -2.677
  834   1HD1  LEU 106          1HD1      LEU 106   3.033   9.292  -5.171
  835   2HD1  LEU 106          2HD1      LEU 106   2.729  10.870  -4.383
  836   3HD1  LEU 106          3HD1      LEU 106   4.367  10.478  -5.126
  837   1HD2  LEU 106          1HD2      LEU 106   4.496   7.451  -3.865
  838   2HD2  LEU 106          2HD2      LEU 106   5.890   8.632  -3.912
  839   3HD2  LEU 106          3HD2      LEU 106   5.310   7.975  -2.507
  840    H    VAL 107           H        VAL 107   2.571  10.608   0.513
  841    HA   VAL 107           HA       VAL 107  -0.197   9.930  -0.176
  842    HB   VAL 107           HB       VAL 107   1.143   9.834   2.365
  843   1HG1  VAL 107          1HG1      VAL 107  -1.203  10.482   2.997
  844   2HG1  VAL 107          2HG1      VAL 107  -1.858   9.061   2.155
  845   3HG1  VAL 107          3HG1      VAL 107  -0.798   9.001   3.625
  846   1HG2  VAL 107          1HG2      VAL 107   0.858   7.278   2.063
  847   2HG2  VAL 107          2HG2      VAL 107  -0.257   7.646   0.703
  848   3HG2  VAL 107          3HG2      VAL 107   1.510   7.999   0.592
  849    H    ALA 108           H        ALA 108   0.976  12.533   1.860
  850    HA   ALA 108           HA       ALA 108  -1.426  14.057   2.009
  851   1HB   ALA 108          1HB       ALA 108   0.109  15.918   2.488
  852   2HB   ALA 108          2HB       ALA 108   0.641  14.421   3.148
  853   3HB   ALA 108          3HB       ALA 108   1.528  15.066   1.793
  854    H    LYS 109           H        LYS 109   0.834  14.313  -0.661
  855    HA   LYS 109           HA       LYS 109  -0.819  16.165  -2.334
  856   1HB   LYS 109          1HB       LYS 109   1.337  13.928  -3.198
  857   2HB   LYS 109          2HB       LYS 109   0.542  15.082  -4.250
  858   1HG   LYS 109          1HG       LYS 109   1.543  16.954  -3.204
  859   2HG   LYS 109          2HG       LYS 109   2.226  15.986  -1.990
  860   1HD   LYS 109          1HD       LYS 109   3.558  14.675  -3.822
  861   2HD   LYS 109          2HD       LYS 109   3.020  16.006  -4.926
  862   1HE   LYS 109          1HE       LYS 109   4.250  17.721  -3.624
  863   2HE   LYS 109          2HE       LYS 109   4.604  16.526  -2.320
  864   1HZ   LYS 109          1HZ       LYS 109   5.665  16.147  -5.144
  865   2HZ   LYS 109          2HZ       LYS 109   6.459  16.968  -3.916
  866    H    HIS 110           H        HIS 110  -0.772  12.491  -2.054
  867    HA   HIS 110           HA       HIS 110  -2.844  12.086  -4.020
  868   1HB   HIS 110          1HB       HIS 110  -1.407  10.314  -2.199
  869   2HB   HIS 110          2HB       HIS 110  -2.957   9.770  -2.591
  870    HD1  HIS 110           1HD      HIS 110  -3.424   9.584  -5.288
  871    HD2  HIS 110           2HD      HIS 110   0.427  10.876  -4.209
  872    HE1  HIS 110           1HE      HIS 110  -2.251  10.005  -7.388
  873    H    ALA 111           H        ALA 111  -3.083  12.388  -0.644
  874    HA   ALA 111           HA       ALA 111  -6.001  12.038  -0.319
  875   1HB   ALA 111          1HB       ALA 111  -5.447  13.209   1.852
  876   2HB   ALA 111          2HB       ALA 111  -4.505  11.854   1.657
  877   3HB   ALA 111          3HB       ALA 111  -3.732  13.406   1.340
  878    H    THR 112           H        THR 112  -3.951  14.774  -0.911
  879    HA   THR 112           HA       THR 112  -5.998  16.964  -0.840
  880    HB   THR 112           HB       THR 112  -3.334  16.904  -2.197
  881    HG1  THR 112           1HG      THR 112  -2.825  16.986  -0.130
  882   1HG2  THR 112          1HG2      THR 112  -4.722  18.650  -3.331
  883   2HG2  THR 112          2HG2      THR 112  -4.786  19.535  -1.837
  884   3HG2  THR 112          3HG2      THR 112  -3.257  19.224  -2.592
  885    H    ALA 113           H        ALA 113  -4.273  15.592  -3.681
  886    HA   ALA 113           HA       ALA 113  -6.313  16.358  -5.649
  887   1HB   ALA 113          1HB       ALA 113  -3.786  14.525  -5.998
  888   2HB   ALA 113          2HB       ALA 113  -4.845  15.044  -7.344
  889   3HB   ALA 113          3HB       ALA 113  -3.980  16.292  -6.379
  890    HXT  ALA 113           HO       ALA 113  -8.437  13.801  -5.820
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1 -13.751   8.602  16.764
    2   2H    ALA   1          2H        ALA   1 -13.225   7.241  17.572
    3    HA   ALA   1           HA       ALA   1 -11.529   9.338  16.420
    4   1HB   ALA   1          1HB       ALA   1  -9.655   7.528  16.860
    5   2HB   ALA   1          2HB       ALA   1 -10.509   8.128  18.295
    6   3HB   ALA   1          3HB       ALA   1 -10.897   6.471  17.667
    7    H    GLU   2           H        GLU   2 -11.102   9.051  14.435
    8    HA   GLU   2           HA       GLU   2 -12.049   6.731  12.679
    9   1HB   GLU   2          1HB       GLU   2 -13.903   8.400  12.680
   10   2HB   GLU   2          2HB       GLU   2 -12.839   9.646  12.223
   11   1HG   GLU   2          1HG       GLU   2 -12.492   8.368   9.963
   12   2HG   GLU   2          2HG       GLU   2 -13.689   7.176  10.640
   13    HE2  GLU   2           HE       GLU   2 -16.390   9.141   9.733
   14    H    GLU   3           H        GLU   3 -10.315   6.128  11.584
   15    HA   GLU   3           HA       GLU   3  -8.275   7.997  10.452
   16   1HB   GLU   3          1HB       GLU   3  -6.334   7.368  11.791
   17   2HB   GLU   3          2HB       GLU   3  -7.502   8.408  12.681
   18   1HG   GLU   3          1HG       GLU   3  -8.426   6.393  13.853
   19   2HG   GLU   3          2HG       GLU   3  -7.404   5.316  12.938
   20    HE2  GLU   3           HE       GLU   3  -4.938   5.474  15.277
   21    H    GLY   4           H        GLY   4  -6.261   6.650   9.897
   22   1HA   GLY   4          1HA       GLY   4  -7.029   4.476   7.917
   23   2HA   GLY   4          2HA       GLY   4  -5.458   5.139   8.139
   24    H    GLN   5           H        GLN   5  -5.888   2.549   7.841
   25    HA   GLN   5           HA       GLN   5  -5.155   1.335  10.472
   26   1HB   GLN   5          1HB       GLN   5  -7.019  -0.290  10.142
   27   2HB   GLN   5          2HB       GLN   5  -7.642   1.371  10.120
   28   1HG   GLN   5          1HG       GLN   5  -7.287   0.905   7.411
   29   2HG   GLN   5          2HG       GLN   5  -7.533  -0.762   7.796
   30   1HE2  GLN   5          1HE2      GLN   5  -9.208   1.857   7.003
   31   2HE2  GLN   5          2HE2      GLN   5 -10.836   1.379   7.761
   32    H    VAL   6           H        VAL   6  -3.336   0.305  10.115
   33    HA   VAL   6           HA       VAL   6  -2.332  -1.043   7.729
   34    HB   VAL   6           HB       VAL   6  -0.927  -0.504  10.358
   35   1HG1  VAL   6          1HG1      VAL   6   1.179  -0.839   8.717
   36   2HG1  VAL   6          2HG1      VAL   6   0.290  -2.354   9.045
   37   3HG1  VAL   6          3HG1      VAL   6   0.051  -1.485   7.487
   38   1HG2  VAL   6          1HG2      VAL   6  -0.460   0.937   7.726
   39   2HG2  VAL   6          2HG2      VAL   6  -1.813   1.354   8.804
   40   3HG2  VAL   6          3HG2      VAL   6  -0.122   1.412   9.433
   41    H    ILE   7           H        ILE   7  -2.627  -2.951   7.302
   42    HA   ILE   7           HA       ILE   7  -3.028  -5.277   9.149
   43    HB   ILE   7           HB       ILE   7  -5.236  -4.202   8.100
   44   1HG1  ILE   7          1HG1      ILE   7  -5.464  -5.853   9.530
   45   2HG1  ILE   7          2HG1      ILE   7  -6.475  -6.341   8.169
   46   1HG2  ILE   7          1HG2      ILE   7  -6.217  -5.057   6.036
   47   2HG2  ILE   7          2HG2      ILE   7  -4.801  -4.166   5.755
   48   3HG2  ILE   7          3HG2      ILE   7  -4.770  -5.969   5.614
   49   1HD1  ILE   7          1HD1      ILE   7  -4.990  -8.206   7.747
   50   2HD1  ILE   7          2HD1      ILE   7  -3.717  -7.617   8.849
   51   3HD1  ILE   7          3HD1      ILE   7  -5.282  -8.062   9.531
   52    H    ALA   8           H        ALA   8  -1.500  -6.713   8.647
   53    HA   ALA   8           HA       ALA   8  -0.232  -7.424   6.120
   54   1HB   ALA   8          1HB       ALA   8  -0.066  -9.675   7.106
   55   2HB   ALA   8          2HB       ALA   8   0.369  -8.557   8.343
   56   3HB   ALA   8          3HB       ALA   8  -1.219  -9.379   8.331
   57    H    CYS   9           H        CYS   9  -0.402  -9.083   4.739
   58    HA   CYS   9           HA       CYS   9  -3.074 -10.033   3.719
   59   1HB   CYS   9          1HB       CYS   9  -1.289  -8.184   1.961
   60   2HB   CYS   9          2HB       CYS   9  -2.704  -9.001   1.427
   61    HG   CYS   9           HG       CYS   9  -4.218  -7.907   3.199
   62    H    HIS  10           H        HIS  10  -2.796 -11.690   2.507
   63    HA   HIS  10           HA       HIS  10  -0.222 -13.224   2.444
   64   1HB   HIS  10          1HB       HIS  10  -2.965 -14.166   3.518
   65   2HB   HIS  10          2HB       HIS  10  -1.376 -14.997   3.633
   66    HD1  HIS  10           1HD      HIS  10  -3.447 -12.557   5.692
   67    HD2  HIS  10           2HD      HIS  10   0.699 -13.088   4.904
   68    HE1  HIS  10           1HE      HIS  10  -2.177 -11.548   7.486
   69    H    THR  11           H        THR  11  -3.369 -13.231   0.798
   70    HA   THR  11           HA       THR  11  -2.585 -15.357  -1.167
   71    HB   THR  11           HB       THR  11  -4.507 -16.811  -0.657
   72    HG1  THR  11           1HG      THR  11  -5.307 -15.905   1.647
   73   1HG2  THR  11          1HG2      THR  11  -3.809 -17.902   1.244
   74   2HG2  THR  11          2HG2      THR  11  -2.413 -17.204   0.661
   75   3HG2  THR  11          3HG2      THR  11  -3.198 -16.463   1.994
   76    H    VAL  12           H        VAL  12  -4.944 -15.995  -2.362
   77    HA   VAL  12           HA       VAL  12  -5.995 -13.600  -3.685
   78    HB   VAL  12           HB       VAL  12  -6.269 -15.976  -4.590
   79   1HG1  VAL  12          1HG1      VAL  12  -8.212 -16.495  -2.317
   80   2HG1  VAL  12          2HG1      VAL  12  -8.113 -17.500  -3.782
   81   3HG1  VAL  12          3HG1      VAL  12  -6.695 -17.318  -2.759
   82   1HG2  VAL  12          1HG2      VAL  12  -8.995 -14.583  -4.414
   83   2HG2  VAL  12          2HG2      VAL  12  -7.832 -14.193  -5.536
   84   3HG2  VAL  12          3HG2      VAL  12  -8.503 -15.895  -5.552
   85    H    ASP  13           H        ASP  13  -6.576 -14.455  -0.651
   86    HA   ASP  13           HA       ASP  13  -9.195 -13.218   0.068
   87   1HB   ASP  13          1HB       ASP  13  -6.550 -13.580   1.689
   88   2HB   ASP  13          2HB       ASP  13  -7.940 -12.711   2.281
   89    HD2  ASP  13           HD       ASP  13  -9.936 -13.824   2.443
   90    H    THR  14           H        THR  14  -5.894 -11.898  -0.051
   91    HA   THR  14           HA       THR  14  -6.902  -9.188   0.443
   92    HB   THR  14           HB       THR  14  -4.460  -9.670   0.856
   93    HG1  THR  14           1HG      THR  14  -5.594  -7.404  -0.026
   94   1HG2  THR  14          1HG2      THR  14  -4.153  -8.894  -2.149
   95   2HG2  THR  14          2HG2      THR  14  -2.751  -9.408  -1.087
   96   3HG2  THR  14          3HG2      THR  14  -3.981 -10.669  -1.554
   97    H    TRP  15           H        TRP  15  -6.700 -10.946  -2.690
   98    HA   TRP  15           HA       TRP  15  -7.583  -8.767  -4.341
   99   1HB   TRP  15          1HB       TRP  15  -7.928 -11.743  -4.460
  100   2HB   TRP  15          2HB       TRP  15  -8.940 -10.977  -5.509
  101    HD1  TRP  15           HD       TRP  15  -5.182 -11.656  -5.086
  102    HE1  TRP  15           1HE      TRP  15  -3.861 -10.921  -7.317
  103    HE3  TRP  15           3HE      TRP  15  -9.117  -9.412  -7.499
  104    HZ2  TRP  15           2HZ      TRP  15  -4.528  -9.256  -9.592
  105    HZ3  TRP  15           3HZ      TRP  15  -8.667  -8.242  -9.778
  106    HH2  TRP  15           HH       TRP  15  -6.429  -8.011 -10.583
  107    H    LYS  16           H        LYS  16  -9.348 -10.741  -2.144
  108    HA   LYS  16           HA       LYS  16 -11.916  -9.314  -2.397
  109   1HB   LYS  16          1HB       LYS  16 -11.104 -10.336   0.339
  110   2HB   LYS  16          2HB       LYS  16 -12.697  -9.916  -0.403
  111   1HG   LYS  16          1HG       LYS  16 -12.585 -11.886  -1.910
  112   2HG   LYS  16          2HG       LYS  16 -11.018 -12.354  -1.201
  113   1HD   LYS  16          1HD       LYS  16 -13.603 -12.027   0.502
  114   2HD   LYS  16          2HD       LYS  16 -13.264 -13.540  -0.362
  115   1HE   LYS  16          1HE       LYS  16 -11.284 -13.940   0.962
  116   2HE   LYS  16          2HE       LYS  16 -11.396 -12.425   1.762
  117   1HZ   LYS  16          1HZ       LYS  16 -13.102 -12.999   3.158
  118   2HZ   LYS  16          2HZ       LYS  16 -13.820 -13.904   2.090
  119    H    GLU  17           H        GLU  17  -9.146  -8.480  -0.194
  120    HA   GLU  17           HA       GLU  17 -10.512  -6.074   1.025
  121   1HB   GLU  17          1HB       GLU  17  -7.636  -7.139   1.182
  122   2HB   GLU  17          2HB       GLU  17  -8.375  -5.722   2.126
  123   1HG   GLU  17          1HG       GLU  17  -9.659  -7.252   3.364
  124   2HG   GLU  17          2HG       GLU  17  -9.321  -8.687   2.356
  125    HE2  GLU  17           HE       GLU  17  -6.634  -7.387   5.102
  126    H    HIS  18           H        HIS  18  -7.671  -6.307  -1.159
  127    HA   HIS  18           HA       HIS  18  -7.327  -3.600  -1.630
  128   1HB   HIS  18          1HB       HIS  18  -5.719  -5.496  -1.800
  129   2HB   HIS  18          2HB       HIS  18  -6.493  -5.997  -3.233
  130    HD1  HIS  18           1HD      HIS  18  -6.608  -3.071  -4.786
  131    HD2  HIS  18           2HD      HIS  18  -3.515  -5.318  -3.034
  132    HE1  HIS  18           1HE      HIS  18  -4.297  -2.705  -6.009
  133    H    PHE  19           H        PHE  19  -8.578  -5.851  -3.722
  134    HA   PHE  19           HA       PHE  19  -9.505  -4.046  -5.834
  135   1HB   PHE  19          1HB       PHE  19  -9.092  -6.538  -6.211
  136   2HB   PHE  19          2HB       PHE  19 -10.858  -6.750  -5.906
  137    HD1  PHE  19           1HD      PHE  19 -12.223  -6.590  -7.765
  138    HD2  PHE  19           2HD      PHE  19  -8.189  -5.048  -8.148
  139    HE1  PHE  19           1HE      PHE  19 -12.570  -6.002 -10.102
  140    HE2  PHE  19           2HE      PHE  19  -8.634  -4.534 -10.526
  141    HZ   PHE  19           HZ       PHE  19 -10.868  -4.969 -11.518
  142    H    GLU  20           H        GLU  20 -11.655  -5.683  -3.596
  143    HA   GLU  20           HA       GLU  20 -14.114  -4.393  -4.362
  144   1HB   GLU  20          1HB       GLU  20 -13.461  -5.573  -1.676
  145   2HB   GLU  20          2HB       GLU  20 -15.039  -4.984  -2.102
  146   1HG   GLU  20          1HG       GLU  20 -13.441  -7.253  -3.573
  147   2HG   GLU  20          2HG       GLU  20 -14.557  -7.540  -2.214
  148    HE2  GLU  20           HE       GLU  20 -17.330  -7.588  -4.138
  149    H    LYS  21           H        LYS  21 -11.932  -3.408  -1.665
  150    HA   LYS  21           HA       LYS  21 -13.351  -0.828  -1.175
  151   1HB   LYS  21          1HB       LYS  21 -10.512  -1.562  -0.484
  152   2HB   LYS  21          2HB       LYS  21 -11.298  -0.138   0.166
  153   1HG   LYS  21          1HG       LYS  21 -11.723  -3.104   0.808
  154   2HG   LYS  21          2HG       LYS  21 -11.051  -1.885   1.853
  155   1HD   LYS  21          1HD       LYS  21 -13.383  -0.780   2.080
  156   2HD   LYS  21          2HD       LYS  21 -13.971  -2.131   0.933
  157   1HE   LYS  21          1HE       LYS  21 -14.623  -2.953   3.117
  158   2HE   LYS  21          2HE       LYS  21 -13.133  -3.836   2.665
  159   1HZ   LYS  21          1HZ       LYS  21 -13.220  -1.561   4.384
  160   2HZ   LYS  21          2HZ       LYS  21 -13.056  -3.135   4.848
  161    H    GLY  22           H        GLY  22 -10.249  -1.434  -2.760
  162   1HA   GLY  22          1HA       GLY  22  -9.710   1.099  -3.888
  163   2HA   GLY  22          2HA       GLY  22  -9.284  -0.326  -4.655
  164    H    LYS  23           H        LYS  23 -10.694  -1.066  -6.266
  165    HA   LYS  23           HA       LYS  23 -12.480   0.810  -7.667
  166   1HB   LYS  23          1HB       LYS  23 -11.211  -0.672  -8.965
  167   2HB   LYS  23          2HB       LYS  23 -12.063  -2.001  -8.317
  168   1HG   LYS  23          1HG       LYS  23 -14.316  -0.806  -9.080
  169   2HG   LYS  23          2HG       LYS  23 -13.260   0.277 -10.079
  170   1HD   LYS  23          1HD       LYS  23 -13.737  -2.758 -10.255
  171   2HD   LYS  23          2HD       LYS  23 -14.322  -1.411 -11.246
  172   1HE   LYS  23          1HE       LYS  23 -11.350  -2.300 -11.134
  173   2HE   LYS  23          2HE       LYS  23 -12.494  -2.880 -12.325
  174   1HZ   LYS  23          1HZ       LYS  23 -11.585  -0.072 -11.870
  175   2HZ   LYS  23          2HZ       LYS  23 -11.430  -0.875 -13.341
  176    H    GLY  24           H        GLY  24 -13.953   1.240  -6.296
  177   1HA   GLY  24          1HA       GLY  24 -16.511   0.150  -6.768
  178   2HA   GLY  24          2HA       GLY  24 -16.094  -0.821  -5.336
  179    H    SER  25           H        SER  25 -14.779   0.851  -3.981
  180    HA   SER  25           HA       SER  25 -16.949   2.406  -2.619
  181   1HB   SER  25          1HB       SER  25 -14.349   1.556  -1.230
  182   2HB   SER  25          2HB       SER  25 -15.654   2.327  -0.538
  183    HG   SER  25           HG       SER  25 -15.622  -0.218  -1.709
  184    H    GLN  26           H        GLN  26 -16.574   4.612  -2.543
  185    HA   GLN  26           HA       GLN  26 -14.470   6.292  -3.780
  186   1HB   GLN  26          1HB       GLN  26 -16.838   6.980  -1.962
  187   2HB   GLN  26          2HB       GLN  26 -15.743   8.052  -2.665
  188   1HG   GLN  26          1HG       GLN  26 -17.562   8.153  -4.192
  189   2HG   GLN  26          2HG       GLN  26 -16.566   7.178  -5.086
  190   1HE2  GLN  26          1HE2      GLN  26 -18.016   5.811  -6.091
  191   2HE2  GLN  26          2HE2      GLN  26 -19.162   4.571  -5.241
  192    H    LYS  27           H        LYS  27 -12.799   4.968  -2.461
  193    HA   LYS  27           HA       LYS  27 -11.562   6.879  -0.489
  194   1HB   LYS  27          1HB       LYS  27 -10.799   5.303   0.837
  195   2HB   LYS  27          2HB       LYS  27 -12.604   5.167   0.832
  196   1HG   LYS  27          1HG       LYS  27 -12.363   2.961  -0.541
  197   2HG   LYS  27          2HG       LYS  27 -10.544   3.241  -0.356
  198   1HD   LYS  27          1HD       LYS  27 -10.883   1.758   1.397
  199   2HD   LYS  27          2HD       LYS  27 -11.009   3.265   2.166
  200   1HE   LYS  27          1HE       LYS  27 -13.542   3.270   2.094
  201   2HE   LYS  27          2HE       LYS  27 -13.368   1.736   1.263
  202   1HZ   LYS  27          1HZ       LYS  27 -11.996   2.002   3.809
  203   2HZ   LYS  27          2HZ       LYS  27 -13.651   1.647   3.854
  204    H    LEU  28           H        LEU  28  -9.409   6.628  -0.470
  205    HA   LEU  28           HA       LEU  28  -7.765   5.390  -2.680
  206   1HB   LEU  28          1HB       LEU  28  -7.339   7.849  -2.204
  207   2HB   LEU  28          2HB       LEU  28  -6.929   7.393  -0.416
  208    HG   LEU  28           HG       LEU  28  -4.912   6.110  -1.388
  209   1HD1  LEU  28          1HD1      LEU  28  -4.150   6.595  -3.712
  210   2HD1  LEU  28          2HD1      LEU  28  -5.686   5.618  -3.557
  211   3HD1  LEU  28          3HD1      LEU  28  -5.679   7.355  -3.980
  212   1HD2  LEU  28          1HD2      LEU  28  -3.632   8.018  -1.771
  213   2HD2  LEU  28          2HD2      LEU  28  -4.934   9.009  -2.156
  214   3HD2  LEU  28          3HD2      LEU  28  -4.691   8.428  -0.468
  215    H    ILE  29           H        ILE  29  -6.377   3.980  -2.300
  216    HA   ILE  29           HA       ILE  29  -6.017   2.552   0.341
  217    HB   ILE  29           HB       ILE  29  -6.335   0.391  -0.336
  218   1HG1  ILE  29          1HG1      ILE  29  -7.286   0.956  -3.269
  219   2HG1  ILE  29          2HG1      ILE  29  -5.665   0.757  -2.894
  220   1HG2  ILE  29          1HG2      ILE  29  -8.793   0.290  -0.450
  221   2HG2  ILE  29          2HG2      ILE  29  -8.472   1.682   0.270
  222   3HG2  ILE  29          3HG2      ILE  29  -8.922   1.765  -1.504
  223   1HD1  ILE  29          1HD1      ILE  29  -6.929  -1.354  -3.572
  224   2HD1  ILE  29          2HD1      ILE  29  -6.056  -1.541  -2.044
  225   3HD1  ILE  29          3HD1      ILE  29  -7.744  -1.356  -2.010
  226    H    VAL  30           H        VAL  30  -4.036   2.175   0.468
  227    HA   VAL  30           HA       VAL  30  -1.881   2.683  -1.567
  228    HB   VAL  30           HB       VAL  30  -1.505   3.773   1.250
  229   1HG1  VAL  30          1HG1      VAL  30   0.167   4.079  -1.124
  230   2HG1  VAL  30          2HG1      VAL  30   0.475   4.889   0.471
  231   3HG1  VAL  30          3HG1      VAL  30   0.572   3.115   0.364
  232   1HG2  VAL  30          1HG2      VAL  30  -1.808   6.015   0.317
  233   2HG2  VAL  30          2HG2      VAL  30  -2.417   5.378  -1.220
  234   3HG2  VAL  30          3HG2      VAL  30  -3.225   5.114   0.268
  235    H    VAL  31           H        VAL  31  -0.423   1.338  -1.426
  236    HA   VAL  31           HA       VAL  31  -0.417  -0.963   0.607
  237    HB   VAL  31           HB       VAL  31  -2.132  -1.463  -0.773
  238   1HG1  VAL  31          1HG1      VAL  31  -1.676  -0.469  -2.846
  239   2HG1  VAL  31          2HG1      VAL  31  -0.505  -1.511  -3.326
  240   3HG1  VAL  31          3HG1      VAL  31  -2.234  -2.222  -3.192
  241   1HG2  VAL  31          1HG2      VAL  31  -1.793  -3.817  -1.315
  242   2HG2  VAL  31          2HG2      VAL  31  -0.044  -3.505  -1.622
  243   3HG2  VAL  31          3HG2      VAL  31  -0.636  -3.370   0.048
  244    H    ASP  32           H        ASP  32   1.439  -1.457   1.131
  245    HA   ASP  32           HA       ASP  32   3.845  -1.209  -0.361
  246   1HB   ASP  32          1HB       ASP  32   3.518  -0.884   2.378
  247   2HB   ASP  32          2HB       ASP  32   3.401  -2.491   2.399
  248    HD2  ASP  32           HD       ASP  32   6.931  -1.869   0.632
  249    H    PHE  33           H        PHE  33   5.108  -3.090  -1.159
  250    HA   PHE  33           HA       PHE  33   4.154  -5.846  -1.252
  251   1HB   PHE  33          1HB       PHE  33   5.280  -3.955  -3.535
  252   2HB   PHE  33          2HB       PHE  33   5.135  -5.629  -3.517
  253    HD1  PHE  33           1HD      PHE  33   3.230  -7.208  -3.480
  254    HD2  PHE  33           2HD      PHE  33   2.876  -2.982  -3.827
  255    HE1  PHE  33           1HE      PHE  33   0.875  -7.343  -4.196
  256    HE2  PHE  33           2HE      PHE  33   0.445  -3.141  -4.273
  257    HZ   PHE  33           HZ       PHE  33  -0.576  -5.414  -4.409
  258    H    THR  34           H        THR  34   6.018  -7.083  -0.409
  259    HA   THR  34           HA       THR  34   8.506  -5.771   0.002
  260    HB   THR  34           HB       THR  34   7.363  -4.476   1.930
  261    HG1  THR  34           1HG      THR  34   8.953  -6.616   2.750
  262   1HG2  THR  34          1HG2      THR  34   5.398  -6.347   2.399
  263   2HG2  THR  34          2HG2      THR  34   6.680  -7.236   3.161
  264   3HG2  THR  34          3HG2      THR  34   6.292  -5.612   3.728
  265    H    ALA  35           H        ALA  35   9.863  -7.439   0.657
  266    HA   ALA  35           HA       ALA  35   8.953 -10.276   1.104
  267   1HB   ALA  35          1HB       ALA  35  10.824  -9.747  -0.239
  268   2HB   ALA  35          2HB       ALA  35  11.662  -8.841   1.099
  269   3HB   ALA  35          3HB       ALA  35  11.357 -10.686   1.196
  270    H    SER  36           H        SER  36   9.345 -11.375   3.150
  271    HA   SER  36           HA       SER  36   9.826  -9.909   5.693
  272   1HB   SER  36          1HB       SER  36   8.997 -12.519   5.250
  273   2HB   SER  36          2HB       SER  36  10.752 -12.740   5.337
  274    HG   SER  36           HG       SER  36  10.242 -11.312   7.229
  275    H    TRP  37           H        TRP  37  12.091 -11.490   3.505
  276    HA   TRP  37           HA       TRP  37  14.533 -10.409   4.790
  277   1HB   TRP  37          1HB       TRP  37  15.764 -11.118   2.865
  278   2HB   TRP  37          2HB       TRP  37  14.797 -12.352   3.714
  279    HD1  TRP  37           HD       TRP  37  12.454 -13.348   2.521
  280    HE1  TRP  37           1HE      TRP  37  12.097 -13.957   0.145
  281    HE3  TRP  37           3HE      TRP  37  15.949 -10.111   0.423
  282    HZ2  TRP  37           2HZ      TRP  37  12.927 -12.908  -2.322
  283    HZ3  TRP  37           3HZ      TRP  37  15.771  -9.790  -1.948
  284    HH2  TRP  37           HH       TRP  37  14.446 -11.227  -3.422
  285    H    CYS  38           H        CYS  38  13.631  -8.268   5.017
  286    HA   CYS  38           HA       CYS  38  14.791  -6.311   3.172
  287   1HB   CYS  38          1HB       CYS  38  12.767  -6.627   1.747
  288   2HB   CYS  38          2HB       CYS  38  11.577  -6.536   3.118
  289    HG   CYS  38           HG       CYS  38  10.969  -4.593   2.219
  290    HA   PRO  39           HA       PRO  39  14.542  -4.548   7.448
  291   1HB   PRO  39          1HB       PRO  39  17.057  -3.357   6.242
  292   2HB   PRO  39          2HB       PRO  39  16.724  -3.726   7.961
  293   1HG   PRO  39          1HG       PRO  39  18.124  -5.644   6.442
  294   2HG   PRO  39          2HG       PRO  39  16.684  -6.296   7.344
  295   1HD   PRO  39          1HD       PRO  39  16.693  -5.362   4.419
  296   2HD   PRO  39          2HD       PRO  39  16.123  -6.953   5.298
  297    HA   PRO  40           HA       PRO  40  14.449  -0.025   5.108
  298   1HB   PRO  40          1HB       PRO  40  13.631  -1.363   2.447
  299   2HB   PRO  40          2HB       PRO  40  14.265   0.257   2.748
  300   1HG   PRO  40          1HG       PRO  40  15.862  -1.684   1.890
  301   2HG   PRO  40          2HG       PRO  40  16.426  -0.636   3.258
  302   1HD   PRO  40          1HD       PRO  40  15.119  -3.476   3.351
  303   2HD   PRO  40          2HD       PRO  40  16.633  -2.831   4.204
  304    H    CYS  41           H        CYS  41  12.171  -2.571   4.000
  305    HA   CYS  41           HA       CYS  41   9.770  -1.026   4.864
  306   1HB   CYS  41          1HB       CYS  41   9.580  -3.892   4.064
  307   2HB   CYS  41          2HB       CYS  41   8.269  -2.761   4.370
  308    HG   CYS  41           HG       CYS  41   9.347  -0.971   2.545
  309    H    LYS  42           H        LYS  42  11.766  -3.298   6.522
  310    HA   LYS  42           HA       LYS  42  10.093  -3.714   8.754
  311   1HB   LYS  42          1HB       LYS  42  12.477  -5.036   8.481
  312   2HB   LYS  42          2HB       LYS  42  13.207  -3.548   8.885
  313   1HG   LYS  42          1HG       LYS  42  12.134  -3.525  11.179
  314   2HG   LYS  42          2HG       LYS  42  11.336  -5.009  10.848
  315   1HD   LYS  42          1HD       LYS  42  13.499  -6.173  10.505
  316   2HD   LYS  42          2HD       LYS  42  14.271  -4.545  10.800
  317   1HE   LYS  42          1HE       LYS  42  14.530  -6.044  12.762
  318   2HE   LYS  42          2HE       LYS  42  13.480  -4.606  13.224
  319   1HZ   LYS  42          1HZ       LYS  42  12.520  -6.628  14.056
  320   2HZ   LYS  42          2HZ       LYS  42  11.595  -5.866  12.981
  321    H    MET  43           H        MET  43  12.224  -1.085   8.135
  322    HA   MET  43           HA       MET  43  11.312   0.620  10.383
  323   1HB   MET  43          1HB       MET  43  12.604   2.524   9.704
  324   2HB   MET  43          2HB       MET  43  13.532   0.989   9.550
  325   1HG   MET  43          1HG       MET  43  13.010   1.069   6.969
  326   2HG   MET  43          2HG       MET  43  12.068   2.518   7.299
  327   1HE   MET  43          1HE       MET  43  13.240   3.948   5.798
  328   2HE   MET  43          2HE       MET  43  13.360   5.010   7.266
  329   3HE   MET  43          3HE       MET  43  14.746   4.763   6.126
  330    H    ILE  44           H        ILE  44  10.464   0.549   6.945
  331    HA   ILE  44           HA       ILE  44   8.525   2.584   7.310
  332    HB   ILE  44           HB       ILE  44   9.404   1.173   5.055
  333   1HG1  ILE  44          1HG1      ILE  44   7.972   2.591   3.741
  334   2HG1  ILE  44          2HG1      ILE  44   7.060   3.164   5.154
  335   1HG2  ILE  44          1HG2      ILE  44   6.510   0.469   5.031
  336   2HG2  ILE  44          2HG2      ILE  44   7.644   0.059   3.720
  337   3HG2  ILE  44          3HG2      ILE  44   7.684  -0.727   5.310
  338   1HD1  ILE  44          1HD1      ILE  44  10.192   3.618   4.755
  339   2HD1  ILE  44          2HD1      ILE  44   8.836   4.841   4.588
  340   3HD1  ILE  44          3HD1      ILE  44   9.242   4.171   6.137
  341    H    ALA  45           H        ALA  45   7.939  -0.720   8.276
  342    HA   ALA  45           HA       ALA  45   5.037  -0.718   8.351
  343   1HB   ALA  45          1HB       ALA  45   7.121  -2.349   9.866
  344   2HB   ALA  45          2HB       ALA  45   5.355  -2.622   9.987
  345   3HB   ALA  45          3HB       ALA  45   6.227  -2.657   8.485
  346    HA   PRO  46           HA       PRO  46   5.058   1.732  12.584
  347   1HB   PRO  46          1HB       PRO  46   7.941   2.490  12.939
  348   2HB   PRO  46          2HB       PRO  46   6.799   2.191  14.286
  349   1HG   PRO  46          1HG       PRO  46   8.543   0.202  13.611
  350   2HG   PRO  46          2HG       PRO  46   6.708  -0.204  13.704
  351   1HD   PRO  46          1HD       PRO  46   8.312   0.499  11.145
  352   2HD   PRO  46          2HD       PRO  46   7.383  -1.033  11.523
  353    H    ILE  47           H        ILE  47   7.259   3.056  10.031
  354    HA   ILE  47           HA       ILE  47   6.124   5.752  10.175
  355    HB   ILE  47           HB       ILE  47   7.531   4.515   7.836
  356   1HG1  ILE  47          1HG1      ILE  47   9.185   4.597   9.644
  357   2HG1  ILE  47          2HG1      ILE  47   9.525   5.712   8.386
  358   1HG2  ILE  47          1HG2      ILE  47   6.027   6.418   7.063
  359   2HG2  ILE  47          2HG2      ILE  47   7.063   7.429   8.096
  360   3HG2  ILE  47          3HG2      ILE  47   7.792   6.515   6.791
  361   1HD1  ILE  47          1HD1      ILE  47   9.853   6.844  10.782
  362   2HD1  ILE  47          2HD1      ILE  47   8.396   7.605  10.128
  363   3HD1  ILE  47          3HD1      ILE  47   8.236   6.278  11.275
  364    H    PHE  48           H        PHE  48   5.034   3.112   8.260
  365    HA   PHE  48           HA       PHE  48   2.849   4.371   6.807
  366   1HB   PHE  48          1HB       PHE  48   4.190   2.145   6.299
  367   2HB   PHE  48          2HB       PHE  48   3.243   1.428   7.618
  368    HD1  PHE  48           1HD      PHE  48   1.802  -0.096   6.632
  369    HD2  PHE  48           2HD      PHE  48   2.451   3.531   4.478
  370    HE1  PHE  48           1HE      PHE  48   0.524  -1.002   4.795
  371    HE2  PHE  48           2HE      PHE  48   1.207   2.611   2.573
  372    HZ   PHE  48           HZ       PHE  48   0.190   0.311   2.693
  373    H    ALA  49           H        ALA  49   3.124   2.806  10.030
  374    HA   ALA  49           HA       ALA  49   0.360   3.184  10.758
  375   1HB   ALA  49          1HB       ALA  49   1.872   1.559  11.848
  376   2HB   ALA  49          2HB       ALA  49   2.590   2.821  12.977
  377   3HB   ALA  49          3HB       ALA  49   0.830   2.482  12.950
  378    H    GLU  50           H        GLU  50   3.107   5.296  11.566
  379    HA   GLU  50           HA       GLU  50   1.482   7.371  12.936
  380   1HB   GLU  50          1HB       GLU  50   4.159   7.228  13.107
  381   2HB   GLU  50          2HB       GLU  50   4.227   7.690  11.473
  382   1HG   GLU  50          1HG       GLU  50   2.942   9.895  12.165
  383   2HG   GLU  50          2HG       GLU  50   3.359   9.479  13.939
  384    HE2  GLU  50           HE       GLU  50   5.859  10.962  11.112
  385    H    LEU  51           H        LEU  51   2.667   7.163   9.596
  386    HA   LEU  51           HA       LEU  51   1.172   9.291   8.407
  387   1HB   LEU  51          1HB       LEU  51   2.853   7.907   7.307
  388   2HB   LEU  51          2HB       LEU  51   1.968   6.442   7.324
  389    HG   LEU  51           HG       LEU  51   2.233   7.809   5.175
  390   1HD1  LEU  51          1HD1      LEU  51  -0.469   6.834   5.772
  391   2HD1  LEU  51          2HD1      LEU  51   0.214   7.099   4.180
  392   3HD1  LEU  51          3HD1      LEU  51   0.875   5.842   5.195
  393   1HD2  LEU  51          1HD2      LEU  51   1.333  10.070   6.159
  394   2HD2  LEU  51          2HD2      LEU  51   0.588   9.572   4.632
  395   3HD2  LEU  51          3HD2      LEU  51  -0.194   9.370   6.161
  396    H    ALA  52           H        ALA  52   0.041   5.994   8.938
  397    HA   ALA  52           HA       ALA  52  -2.684   6.342   8.038
  398   1HB   ALA  52          1HB       ALA  52  -1.743   4.140   8.482
  399   2HB   ALA  52          2HB       ALA  52  -1.836   4.287  10.222
  400   3HB   ALA  52          3HB       ALA  52  -3.349   4.301   9.226
  401    H    LYS  53           H        LYS  53  -1.527   6.995  11.131
  402    HA   LYS  53           HA       LYS  53  -4.056   7.733  12.491
  403   1HB   LYS  53          1HB       LYS  53  -1.163   8.355  13.343
  404   2HB   LYS  53          2HB       LYS  53  -2.570   8.882  14.177
  405   1HG   LYS  53          1HG       LYS  53  -3.102   6.761  15.020
  406   2HG   LYS  53          2HG       LYS  53  -2.390   5.866  13.681
  407   1HD   LYS  53          1HD       LYS  53   0.008   6.507  14.534
  408   2HD   LYS  53          2HD       LYS  53  -0.814   7.179  15.914
  409   1HE   LYS  53          1HE       LYS  53  -1.960   4.983  16.342
  410   2HE   LYS  53          2HE       LYS  53  -1.130   4.272  14.848
  411   1HZ   LYS  53          1HZ       LYS  53   0.135   5.460  17.265
  412   2HZ   LYS  53          2HZ       LYS  53   0.046   3.755  16.841
  413    H    LYS  54           H        LYS  54  -1.728   9.440  10.497
  414    HA   LYS  54           HA       LYS  54  -2.688  12.126  10.948
  415   1HB   LYS  54          1HB       LYS  54  -0.191  11.484  10.272
  416   2HB   LYS  54          2HB       LYS  54  -0.772  11.029   8.727
  417   1HG   LYS  54          1HG       LYS  54  -1.676  13.421   8.426
  418   2HG   LYS  54          2HG       LYS  54  -1.259  13.863  10.041
  419   1HD   LYS  54          1HD       LYS  54   0.622  13.107   7.581
  420   2HD   LYS  54          2HD       LYS  54   0.264  14.741   8.139
  421   1HE   LYS  54          1HE       LYS  54   1.500  14.378  10.271
  422   2HE   LYS  54          2HE       LYS  54   1.774  12.639   9.935
  423   1HZ   LYS  54          1HZ       LYS  54   3.714  13.968   9.362
  424   2HZ   LYS  54          2HZ       LYS  54   2.920  13.347   8.018
  425    H    PHE  55           H        PHE  55  -3.442   9.695   8.689
  426    HA   PHE  55           HA       PHE  55  -5.276  11.407   7.045
  427   1HB   PHE  55          1HB       PHE  55  -2.808   9.605   6.595
  428   2HB   PHE  55          2HB       PHE  55  -3.913   9.412   5.429
  429    HD1  PHE  55           1HD      PHE  55  -1.383  11.494   6.547
  430    HD2  PHE  55           2HD      PHE  55  -4.989  11.766   4.266
  431    HE1  PHE  55           1HE      PHE  55  -0.649  13.666   5.646
  432    HE2  PHE  55           2HE      PHE  55  -4.236  13.976   3.415
  433    HZ   PHE  55           HZ       PHE  55  -2.084  14.980   4.169
  434    HA   PRO  56           HA       PRO  56  -8.458   7.876   8.071
  435   1HB   PRO  56          1HB       PRO  56 -10.671   9.411   8.042
  436   2HB   PRO  56          2HB       PRO  56  -9.468   9.368   9.325
  437   1HG   PRO  56          1HG       PRO  56  -9.653  11.548   7.110
  438   2HG   PRO  56          2HG       PRO  56  -9.578  11.658   8.859
  439   1HD   PRO  56          1HD       PRO  56  -7.329  11.812   7.182
  440   2HD   PRO  56          2HD       PRO  56  -7.245  11.313   8.873
  441    H    ASN  57           H        ASN  57  -8.211   9.287   4.980
  442    HA   ASN  57           HA       ASN  57 -10.910   8.475   4.032
  443   1HB   ASN  57          1HB       ASN  57 -10.152   9.659   1.886
  444   2HB   ASN  57          2HB       ASN  57 -10.374  10.765   3.263
  445   1HD2  ASN  57          2HD2      ASN  57  -8.612  12.094   3.665
  446   2HD2  ASN  57          1HD2      ASN  57  -7.019  12.065   2.969
  447    H    VAL  58           H        VAL  58  -8.142   6.940   4.706
  448    HA   VAL  58           HA       VAL  58  -7.826   5.466   2.123
  449    HB   VAL  58           HB       VAL  58  -6.562   7.540   1.805
  450   1HG1  VAL  58          1HG1      VAL  58  -5.410   7.151   4.605
  451   2HG1  VAL  58          2HG1      VAL  58  -4.589   8.145   3.412
  452   3HG1  VAL  58          3HG1      VAL  58  -6.214   8.501   3.988
  453   1HG2  VAL  58          1HG2      VAL  58  -5.422   5.426   1.017
  454   2HG2  VAL  58          2HG2      VAL  58  -4.327   6.717   1.570
  455   3HG2  VAL  58          3HG2      VAL  58  -4.751   5.262   2.714
  456    H    THR  59           H        THR  59  -8.076   3.539   2.691
  457    HA   THR  59           HA       THR  59  -7.274   2.123   5.093
  458    HB   THR  59           HB       THR  59  -7.710   1.177   2.211
  459    HG1  THR  59           1HG      THR  59  -9.640   0.458   3.403
  460   1HG2  THR  59          1HG2      THR  59  -7.781  -0.549   4.761
  461   2HG2  THR  59          2HG2      THR  59  -8.456  -1.107   3.211
  462   3HG2  THR  59          3HG2      THR  59  -6.740  -0.746   3.311
  463    H    PHE  60           H        PHE  60  -5.368   0.629   5.159
  464    HA   PHE  60           HA       PHE  60  -2.902   0.947   3.367
  465   1HB   PHE  60          1HB       PHE  60  -2.913   1.584   6.372
  466   2HB   PHE  60          2HB       PHE  60  -1.515   1.442   5.341
  467    HD1  PHE  60           1HD      PHE  60  -1.249   3.065   3.312
  468    HD2  PHE  60           2HD      PHE  60  -3.671   3.674   6.826
  469    HE1  PHE  60           1HE      PHE  60  -1.277   5.507   2.914
  470    HE2  PHE  60           2HE      PHE  60  -3.759   6.166   6.295
  471    HZ   PHE  60           HZ       PHE  60  -2.650   6.927   4.231
  472    H    LEU  61           H        LEU  61  -2.324  -0.949   2.756
  473    HA   LEU  61           HA       LEU  61  -2.267  -3.215   4.666
  474   1HB   LEU  61          1HB       LEU  61  -3.698  -4.574   3.446
  475   2HB   LEU  61          2HB       LEU  61  -4.447  -3.029   3.360
  476    HG   LEU  61           HG       LEU  61  -3.251  -2.852   0.915
  477   1HD1  LEU  61          1HD1      LEU  61  -3.734  -5.909   1.195
  478   2HD1  LEU  61          2HD1      LEU  61  -3.560  -4.998  -0.356
  479   3HD1  LEU  61          3HD1      LEU  61  -2.173  -5.082   0.724
  480   1HD2  LEU  61          1HD2      LEU  61  -5.709  -2.557   1.390
  481   2HD2  LEU  61          2HD2      LEU  61  -5.330  -3.448  -0.059
  482   3HD2  LEU  61          3HD2      LEU  61  -5.777  -4.328   1.344
  483    H    LYS  62           H        LYS  62  -1.133  -5.186   3.649
  484    HA   LYS  62           HA       LYS  62   1.186  -4.436   1.959
  485   1HB   LYS  62          1HB       LYS  62   2.885  -4.798   3.624
  486   2HB   LYS  62          2HB       LYS  62   2.076  -3.333   3.973
  487   1HG   LYS  62          1HG       LYS  62   0.929  -4.255   5.958
  488   2HG   LYS  62          2HG       LYS  62   1.427  -5.869   5.568
  489   1HD   LYS  62          1HD       LYS  62   3.876  -4.725   5.786
  490   2HD   LYS  62          2HD       LYS  62   3.074  -3.424   6.579
  491   1HE   LYS  62          1HE       LYS  62   2.876  -6.553   7.401
  492   2HE   LYS  62          2HE       LYS  62   4.117  -5.455   8.018
  493   1HZ   LYS  62          1HZ       LYS  62   2.741  -4.614   9.430
  494   2HZ   LYS  62          2HZ       LYS  62   1.651  -5.771   9.150
  495    H    VAL  63           H        VAL  63   1.536  -5.979   0.858
  496    HA   VAL  63           HA       VAL  63   0.875  -8.715   1.360
  497    HB   VAL  63           HB       VAL  63   2.047  -7.063  -1.020
  498   1HG1  VAL  63          1HG1      VAL  63   1.006  -9.920  -1.201
  499   2HG1  VAL  63          2HG1      VAL  63   1.392  -8.913  -2.664
  500   3HG1  VAL  63          3HG1      VAL  63   2.645  -9.329  -1.467
  501   1HG2  VAL  63          1HG2      VAL  63  -0.985  -7.824  -0.288
  502   2HG2  VAL  63          2HG2      VAL  63  -0.239  -6.277  -0.905
  503   3HG2  VAL  63          3HG2      VAL  63  -0.531  -7.680  -1.883
  504    H    ASP  64           H        ASP  64   2.226 -10.267   1.722
  505    HA   ASP  64           HA       ASP  64   5.215 -10.130   1.742
  506   1HB   ASP  64          1HB       ASP  64   3.883 -11.430   3.477
  507   2HB   ASP  64          2HB       ASP  64   3.531 -12.681   2.255
  508    HD2  ASP  64           HD       ASP  64   6.931 -12.561   4.354
  509    H    VAL  65           H        VAL  65   5.922 -10.045  -0.179
  510    HA   VAL  65           HA       VAL  65   5.108 -10.716  -2.855
  511    HB   VAL  65           HB       VAL  65   6.754  -8.966  -2.116
  512   1HG1  VAL  65          1HG1      VAL  65   8.203 -10.649  -0.913
  513   2HG1  VAL  65          2HG1      VAL  65   8.962 -11.155  -2.364
  514   3HG1  VAL  65          3HG1      VAL  65   9.086  -9.425  -1.892
  515   1HG2  VAL  65          1HG2      VAL  65   7.501 -10.519  -4.563
  516   2HG2  VAL  65          2HG2      VAL  65   6.028  -9.402  -4.366
  517   3HG2  VAL  65          3HG2      VAL  65   7.836  -8.740  -4.210
  518    H    ASP  66           H        ASP  66   7.169 -12.810  -0.666
  519    HA   ASP  66           HA       ASP  66   7.637 -15.041  -2.636
  520   1HB   ASP  66          1HB       ASP  66   7.952 -15.194   0.254
  521   2HB   ASP  66          2HB       ASP  66   8.247 -16.491  -0.862
  522    HD2  ASP  66           HD       ASP  66  11.145 -15.139  -1.791
  523    H    GLU  67           H        GLU  67   5.179 -14.627  -0.243
  524    HA   GLU  67           HA       GLU  67   3.393 -16.745  -1.084
  525   1HB   GLU  67          1HB       GLU  67   2.575 -14.357   0.502
  526   2HB   GLU  67          2HB       GLU  67   1.556 -15.741  -0.076
  527   1HG   GLU  67          1HG       GLU  67   3.002 -17.406   1.197
  528   2HG   GLU  67          2HG       GLU  67   4.004 -15.898   1.670
  529    HE2  GLU  67           HE       GLU  67   0.682 -16.742   3.501
  530    H    LEU  68           H        LEU  68   3.758 -13.514  -2.741
  531    HA   LEU  68           HA       LEU  68   1.824 -14.306  -4.871
  532   1HB   LEU  68          1HB       LEU  68   1.423 -11.839  -3.007
  533   2HB   LEU  68          2HB       LEU  68   0.618 -12.063  -4.584
  534    HG   LEU  68           HG       LEU  68   0.181 -13.836  -2.068
  535   1HD1  LEU  68          1HD1      LEU  68  -1.891 -12.670  -1.752
  536   2HD1  LEU  68          2HD1      LEU  68  -0.513 -11.476  -1.601
  537   3HD1  LEU  68          3HD1      LEU  68  -1.613 -11.560  -3.048
  538   1HD2  LEU  68          1HD2      LEU  68  -1.532 -13.607  -4.519
  539   2HD2  LEU  68          2HD2      LEU  68  -0.375 -15.036  -4.180
  540   3HD2  LEU  68          3HD2      LEU  68  -1.872 -14.739  -3.175
  541    H    LYS  69           H        LYS  69   4.096 -14.231  -5.363
  542    HA   LYS  69           HA       LYS  69   5.534 -11.919  -6.286
  543   1HB   LYS  69          1HB       LYS  69   7.002 -13.024  -7.509
  544   2HB   LYS  69          2HB       LYS  69   6.887 -13.762  -5.985
  545   1HG   LYS  69          1HG       LYS  69   5.231 -15.298  -7.529
  546   2HG   LYS  69          2HG       LYS  69   6.189 -14.663  -8.788
  547   1HD   LYS  69          1HD       LYS  69   6.916 -16.834  -8.433
  548   2HD   LYS  69          2HD       LYS  69   8.138 -15.706  -8.088
  549   1HE   LYS  69          1HE       LYS  69   8.023 -16.033  -5.513
  550   2HE   LYS  69          2HE       LYS  69   6.446 -16.685  -5.652
  551   1HZ   LYS  69          1HZ       LYS  69   7.467 -18.677  -6.654
  552   2HZ   LYS  69          2HZ       LYS  69   8.851 -18.038  -6.714
  553    H    ALA  70           H        ALA  70   3.523 -14.030  -7.919
  554    HA   ALA  70           HA       ALA  70   3.697 -13.103 -10.555
  555   1HB   ALA  70          1HB       ALA  70   1.707 -14.333 -11.261
  556   2HB   ALA  70          2HB       ALA  70   2.671 -15.219  -9.892
  557   3HB   ALA  70          3HB       ALA  70   1.237 -14.267  -9.440
  558    H    VAL  71           H        VAL  71   0.666 -12.353  -8.879
  559    HA   VAL  71           HA       VAL  71  -0.070  -9.841 -10.149
  560    HB   VAL  71           HB       VAL  71  -1.506 -11.342  -8.430
  561   1HG1  VAL  71          1HG1      VAL  71  -1.013 -11.468  -6.309
  562   2HG1  VAL  71          2HG1      VAL  71   0.626 -10.709  -6.491
  563   3HG1  VAL  71          3HG1      VAL  71  -0.753  -9.736  -6.227
  564   1HG2  VAL  71          1HG2      VAL  71  -2.688  -9.297  -7.717
  565   2HG2  VAL  71          2HG2      VAL  71  -1.328  -8.459  -8.176
  566   3HG2  VAL  71          3HG2      VAL  71  -2.305  -9.297  -9.561
  567    H    ALA  72           H        ALA  72   2.293 -10.169  -7.329
  568    HA   ALA  72           HA       ALA  72   2.270  -7.369  -6.867
  569   1HB   ALA  72          1HB       ALA  72   4.552  -9.329  -6.698
  570   2HB   ALA  72          2HB       ALA  72   4.814  -7.700  -6.173
  571   3HB   ALA  72          3HB       ALA  72   3.543  -8.652  -5.372
  572    H    GLU  73           H        GLU  73   3.907  -9.249  -9.248
  573    HA   GLU  73           HA       GLU  73   5.789  -7.365 -10.649
  574   1HB   GLU  73          1HB       GLU  73   4.612  -9.867 -11.663
  575   2HB   GLU  73          2HB       GLU  73   5.630  -8.811 -12.599
  576   1HG   GLU  73          1HG       GLU  73   7.571  -9.077 -10.930
  577   2HG   GLU  73          2HG       GLU  73   6.567 -10.104  -9.945
  578    HE2  GLU  73           HE       GLU  73   8.467 -10.016 -12.582
  579    H    GLU  74           H        GLU  74   2.413  -8.480 -11.202
  580    HA   GLU  74           HA       GLU  74   1.780  -7.004 -13.650
  581   1HB   GLU  74          1HB       GLU  74  -0.277  -7.423 -13.836
  582   2HB   GLU  74          2HB       GLU  74   0.484  -8.908 -13.027
  583   1HG   GLU  74          1HG       GLU  74  -1.326  -8.904 -11.600
  584   2HG   GLU  74          2HG       GLU  74  -0.613  -7.447 -10.870
  585    HE2  GLU  74           HE       GLU  74  -2.592  -8.857 -13.109
  586    H    TRP  75           H        TRP  75   1.053  -5.976 -10.260
  587    HA   TRP  75           HA       TRP  75  -0.051  -3.236 -10.599
  588   1HB   TRP  75          1HB       TRP  75   1.514  -4.285  -8.258
  589   2HB   TRP  75          2HB       TRP  75   0.354  -2.955  -8.300
  590    HD1  TRP  75           HD       TRP  75   0.392  -6.268  -6.860
  591    HE1  TRP  75           1HE      TRP  75  -1.825  -7.151  -6.399
  592    HE3  TRP  75           3HE      TRP  75  -2.248  -3.152 -10.072
  593    HZ2  TRP  75           2HZ      TRP  75  -4.226  -7.034  -7.720
  594    HZ3  TRP  75           3HZ      TRP  75  -4.341  -3.781 -10.566
  595    HH2  TRP  75           HH       TRP  75  -5.629  -5.627  -9.210
  596    H    ASN  76           H        ASN  76   3.213  -4.349  -9.777
  597    HA   ASN  76           HA       ASN  76   4.882  -3.925 -11.670
  598   1HB   ASN  76          1HB       ASN  76   4.060  -1.836 -12.588
  599   2HB   ASN  76          2HB       ASN  76   4.643  -0.859 -11.186
  600   1HD2  ASN  76          1HD2      ASN  76   6.059  -3.013 -13.816
  601   2HD2  ASN  76          2HD2      ASN  76   7.555  -1.980 -13.864
  602    H    VAL  77           H        VAL  77   5.647  -5.336 -10.041
  603    HA   VAL  77           HA       VAL  77   7.785  -4.011  -8.378
  604    HB   VAL  77           HB       VAL  77   5.978  -6.488  -7.437
  605   1HG1  VAL  77          1HG1      VAL  77   7.819  -4.693  -5.832
  606   2HG1  VAL  77          2HG1      VAL  77   6.881  -6.113  -5.234
  607   3HG1  VAL  77          3HG1      VAL  77   8.278  -6.345  -6.357
  608   1HG2  VAL  77          1HG2      VAL  77   4.937  -5.000  -6.037
  609   2HG2  VAL  77          2HG2      VAL  77   5.645  -3.478  -6.567
  610   3HG2  VAL  77          3HG2      VAL  77   4.513  -4.499  -7.522
  611    H    GLU  78           H        GLU  78   8.890  -4.299 -10.128
  612    HA   GLU  78           HA       GLU  78  10.285  -6.957 -10.389
  613   1HB   GLU  78          1HB       GLU  78  11.671  -5.953 -12.116
  614   2HB   GLU  78          2HB       GLU  78   9.937  -5.836 -12.398
  615   1HG   GLU  78          1HG       GLU  78  10.652  -3.680 -12.910
  616   2HG   GLU  78          2HG       GLU  78  10.007  -3.469 -11.289
  617    HE2  GLU  78           HE       GLU  78  12.486  -3.847 -13.442
  618    H    ALA  79           H        ALA  79  10.299  -4.536  -8.150
  619    HA   ALA  79           HA       ALA  79  12.701  -5.504  -6.708
  620   1HB   ALA  79          1HB       ALA  79  13.851  -3.326  -6.629
  621   2HB   ALA  79          2HB       ALA  79  13.924  -3.761  -8.172
  622   3HB   ALA  79          3HB       ALA  79  12.784  -2.481  -7.479
  623    H    MET  80           H        MET  80  12.929  -5.329  -4.965
  624    HA   MET  80           HA       MET  80  10.915  -4.408  -3.069
  625   1HB   MET  80          1HB       MET  80  13.832  -5.511  -2.977
  626   2HB   MET  80          2HB       MET  80  13.292  -4.821  -1.608
  627   1HG   MET  80          1HG       MET  80  11.943  -7.059  -3.069
  628   2HG   MET  80          2HG       MET  80  12.806  -7.185  -1.603
  629   1HE   MET  80          1HE       MET  80   8.445  -6.830  -2.248
  630   2HE   MET  80          2HE       MET  80   8.944  -5.342  -2.799
  631   3HE   MET  80          3HE       MET  80   9.662  -6.961  -3.446
  632    HA   PRO  81           HA       PRO  81   9.854  -2.854  -3.043
  633   1HB   PRO  81          1HB       PRO  81   9.440  -2.009  -0.248
  634   2HB   PRO  81          2HB       PRO  81  10.681  -3.252  -0.457
  635   1HG   PRO  81          1HG       PRO  81  11.184  -0.583   0.252
  636   2HG   PRO  81          2HG       PRO  81  12.304  -1.839   0.202
  637   1HD   PRO  81          1HD       PRO  81  11.665   0.150  -1.641
  638   2HD   PRO  81          2HD       PRO  81  13.196  -0.686  -1.465
  639    H    THR  82           H        THR  82   8.053  -2.303  -2.584
  640    HA   THR  82           HA       THR  82   7.600   0.330  -3.947
  641    HB   THR  82           HB       THR  82   6.447  -2.302  -5.052
  642    HG1  THR  82           1HG      THR  82   8.470  -2.726  -5.143
  643   1HG2  THR  82          1HG2      THR  82   6.933   0.544  -6.015
  644   2HG2  THR  82          2HG2      THR  82   6.768  -0.876  -7.172
  645   3HG2  THR  82          3HG2      THR  82   5.481  -0.251  -6.287
  646    H    PHE  83           H        PHE  83   6.041   1.463  -3.642
  647    HA   PHE  83           HA       PHE  83   3.573   0.837  -2.225
  648   1HB   PHE  83          1HB       PHE  83   5.116   3.461  -2.560
  649   2HB   PHE  83          2HB       PHE  83   3.672   3.310  -2.033
  650    HD1  PHE  83           1HD      PHE  83   6.940   2.557  -1.329
  651    HD2  PHE  83           2HD      PHE  83   3.052   2.564   0.345
  652    HE1  PHE  83           1HE      PHE  83   7.772   1.347   0.583
  653    HE2  PHE  83           2HE      PHE  83   4.017   1.838   2.675
  654    HZ   PHE  83           HZ       PHE  83   6.485   1.733   2.756
  655    H    ILE  84           H        ILE  84   1.738   0.682  -3.389
  656    HA   ILE  84           HA       ILE  84   1.324   2.101  -5.955
  657    HB   ILE  84           HB       ILE  84   1.100  -0.887  -4.775
  658   1HG1  ILE  84          1HG1      ILE  84   1.533  -0.342  -7.826
  659   2HG1  ILE  84          2HG1      ILE  84   2.618   0.326  -6.814
  660   1HG2  ILE  84          1HG2      ILE  84  -0.808  -0.017  -6.861
  661   2HG2  ILE  84          2HG2      ILE  84  -0.572  -1.768  -6.189
  662   3HG2  ILE  84          3HG2      ILE  84  -1.268  -0.505  -5.270
  663   1HD1  ILE  84          1HD1      ILE  84   3.440  -1.698  -5.546
  664   2HD1  ILE  84          2HD1      ILE  84   1.976  -2.461  -6.267
  665   3HD1  ILE  84          3HD1      ILE  84   3.481  -2.033  -7.256
  666    H    PHE  85           H        PHE  85  -0.449   2.591  -6.454
  667    HA   PHE  85           HA       PHE  85  -2.193   3.690  -4.195
  668   1HB   PHE  85          1HB       PHE  85  -0.879   5.223  -6.623
  669   2HB   PHE  85          2HB       PHE  85  -2.175   5.889  -5.570
  670    HD1  PHE  85           1HD      PHE  85   1.356   4.335  -5.158
  671    HD2  PHE  85           2HD      PHE  85  -1.498   7.094  -3.595
  672    HE1  PHE  85           1HE      PHE  85   2.968   4.893  -3.463
  673    HE2  PHE  85           2HE      PHE  85  -0.002   7.747  -1.898
  674    HZ   PHE  85           HZ       PHE  85   2.365   6.507  -1.831
  675    H    LEU  86           H        LEU  86  -3.908   2.771  -4.634
  676    HA   LEU  86           HA       LEU  86  -5.202   2.386  -7.273
  677   1HB   LEU  86          1HB       LEU  86  -4.293   0.340  -5.946
  678   2HB   LEU  86          2HB       LEU  86  -5.735   0.430  -5.020
  679    HG   LEU  86           HG       LEU  86  -6.136  -1.129  -6.299
  680   1HD1  LEU  86          1HD1      LEU  86  -8.022  -0.717  -7.819
  681   2HD1  LEU  86          2HD1      LEU  86  -8.109   0.306  -6.366
  682   3HD1  LEU  86          3HD1      LEU  86  -7.613   1.016  -7.946
  683   1HD2  LEU  86          1HD2      LEU  86  -4.973   0.101  -8.849
  684   2HD2  LEU  86          2HD2      LEU  86  -4.223  -1.032  -7.832
  685   3HD2  LEU  86          3HD2      LEU  86  -5.726  -1.521  -8.845
  686    H    LYS  87           H        LYS  87  -6.956   3.730  -7.121
  687    HA   LYS  87           HA       LYS  87  -8.458   4.311  -4.632
  688   1HB   LYS  87          1HB       LYS  87  -6.712   5.993  -6.063
  689   2HB   LYS  87          2HB       LYS  87  -7.914   6.064  -7.235
  690   1HG   LYS  87          1HG       LYS  87  -9.652   6.804  -5.167
  691   2HG   LYS  87          2HG       LYS  87  -8.195   6.992  -4.316
  692   1HD   LYS  87          1HD       LYS  87  -7.454   8.572  -6.196
  693   2HD   LYS  87          2HD       LYS  87  -8.938   8.597  -6.944
  694   1HE   LYS  87          1HE       LYS  87 -10.041   9.018  -4.524
  695   2HE   LYS  87          2HE       LYS  87  -8.408   9.468  -4.053
  696   1HZ   LYS  87          1HZ       LYS  87  -8.220  11.069  -5.667
  697   2HZ   LYS  87          2HZ       LYS  87  -9.670  10.651  -6.355
  698    H    ASP  88           H        ASP  88 -10.853   4.517  -5.183
  699    HA   ASP  88           HA       ASP  88 -12.318   3.598  -7.145
  700   1HB   ASP  88          1HB       ASP  88 -14.090   5.061  -6.847
  701   2HB   ASP  88          2HB       ASP  88 -13.289   4.754  -5.371
  702    HD2  ASP  88           HD       ASP  88 -12.569   7.962  -4.701
  703    H    GLY  89           H        GLY  89 -10.239   4.099  -8.728
  704   1HA   GLY  89          1HA       GLY  89 -11.704   4.162 -11.193
  705   2HA   GLY  89          2HA       GLY  89 -10.617   5.624 -10.988
  706    H    LYS  90           H        LYS  90  -9.994   2.196  -9.969
  707    HA   LYS  90           HA       LYS  90  -8.396   0.647 -10.372
  708   1HB   LYS  90          1HB       LYS  90  -9.155   1.255 -12.793
  709   2HB   LYS  90          2HB       LYS  90  -7.412   1.678 -13.025
  710   1HG   LYS  90          1HG       LYS  90  -6.925  -0.665 -12.225
  711   2HG   LYS  90          2HG       LYS  90  -8.649  -0.990 -12.076
  712   1HD   LYS  90          1HD       LYS  90  -6.979  -0.522 -14.685
  713   2HD   LYS  90          2HD       LYS  90  -7.512  -1.929 -13.931
  714   1HE   LYS  90          1HE       LYS  90 -10.119  -1.057 -14.315
  715   2HE   LYS  90          2HE       LYS  90  -9.362   0.334 -15.028
  716   1HZ   LYS  90          1HZ       LYS  90  -9.127  -2.463 -15.972
  717   2HZ   LYS  90          2HZ       LYS  90  -8.191  -1.080 -16.550
  718    H    LEU  91           H        LEU  91  -5.836   0.961 -11.788
  719    HA   LEU  91           HA       LEU  91  -4.126   1.754  -9.746
  720   1HB   LEU  91          1HB       LEU  91  -3.767  -0.256 -11.227
  721   2HB   LEU  91          2HB       LEU  91  -3.490   0.948 -12.630
  722    HG   LEU  91           HG       LEU  91  -1.378   1.736 -11.361
  723   1HD1  LEU  91          1HD1      LEU  91  -0.431   0.206  -9.648
  724   2HD1  LEU  91          2HD1      LEU  91  -1.767   1.019  -8.981
  725   3HD1  LEU  91          3HD1      LEU  91  -2.034  -0.618  -9.420
  726   1HD2  LEU  91          1HD2      LEU  91  -0.075   0.118 -12.084
  727   2HD2  LEU  91          2HD2      LEU  91  -1.277  -1.187 -11.996
  728   3HD2  LEU  91          3HD2      LEU  91  -1.453   0.157 -13.305
  729    H    VAL  92           H        VAL  92  -3.955   3.781  -9.267
  730    HA   VAL  92           HA       VAL  92  -3.806   6.145 -11.126
  731    HB   VAL  92           HB       VAL  92  -3.836   7.648  -9.398
  732   1HG1  VAL  92          1HG1      VAL  92  -6.373   7.349  -8.938
  733   2HG1  VAL  92          2HG1      VAL  92  -5.843   7.057 -10.609
  734   3HG1  VAL  92          3HG1      VAL  92  -6.182   5.772  -9.411
  735   1HG2  VAL  92          1HG2      VAL  92  -4.624   5.262  -7.487
  736   2HG2  VAL  92          2HG2      VAL  92  -3.100   6.079  -7.501
  737   3HG2  VAL  92          3HG2      VAL  92  -4.502   7.002  -7.067
  738    H    ASP  93           H        ASP  93  -1.336   4.669  -8.713
  739    HA   ASP  93           HA       ASP  93   0.696   5.985 -10.170
  740   1HB   ASP  93          1HB       ASP  93  -0.308   7.902  -8.609
  741   2HB   ASP  93          2HB       ASP  93  -0.086   6.978  -7.253
  742    HD2  ASP  93           HD       ASP  93   1.479   7.248  -6.282
  743    H    LYS  94           H        LYS  94   2.921   5.763  -8.999
  744    HA   LYS  94           HA       LYS  94   3.259   3.568  -7.156
  745   1HB   LYS  94          1HB       LYS  94   4.532   2.067  -8.682
  746   2HB   LYS  94          2HB       LYS  94   2.799   2.093  -9.086
  747   1HG   LYS  94          1HG       LYS  94   4.896   3.659 -10.581
  748   2HG   LYS  94          2HG       LYS  94   4.527   2.030 -10.900
  749   1HD   LYS  94          1HD       LYS  94   2.650   4.445 -11.224
  750   2HD   LYS  94          2HD       LYS  94   3.414   3.461 -12.631
  751   1HE   LYS  94          1HE       LYS  94   1.928   1.495 -11.882
  752   2HE   LYS  94          2HE       LYS  94   1.170   2.476 -10.641
  753   1HZ   LYS  94          1HZ       LYS  94   1.207   3.057 -13.595
  754   2HZ   LYS  94          2HZ       LYS  94   0.623   3.991 -12.460
  755    H    THR  95           H        THR  95   5.493   3.055  -6.561
  756    HA   THR  95           HA       THR  95   7.589   4.974  -7.167
  757    HB   THR  95           HB       THR  95   6.127   5.766  -4.621
  758    HG1  THR  95           1HG      THR  95   5.512   6.647  -6.801
  759   1HG2  THR  95          1HG2      THR  95   8.402   6.194  -4.050
  760   2HG2  THR  95          2HG2      THR  95   8.943   6.376  -5.643
  761   3HG2  THR  95          3HG2      THR  95   8.153   7.683  -4.749
  762    H    VAL  96           H        VAL  96   8.440   3.100  -7.092
  763    HA   VAL  96           HA       VAL  96   9.063   1.303  -4.828
  764    HB   VAL  96           HB       VAL  96   9.055   0.399  -7.008
  765   1HG1  VAL  96          1HG1      VAL  96  11.488   2.197  -7.879
  766   2HG1  VAL  96          2HG1      VAL  96  10.666   0.880  -8.756
  767   3HG1  VAL  96          3HG1      VAL  96   9.724   2.393  -8.293
  768   1HG2  VAL  96          1HG2      VAL  96  12.117   0.200  -6.069
  769   2HG2  VAL  96          2HG2      VAL  96  10.697  -0.431  -5.181
  770   3HG2  VAL  96          3HG2      VAL  96  11.163  -1.011  -6.964
  771    H    GLY  97           H        GLY  97   9.642   2.496  -3.254
  772   1HA   GLY  97          1HA       GLY  97  12.372   2.091  -2.506
  773   2HA   GLY  97          2HA       GLY  97  12.400   3.803  -3.094
  774    H    ALA  98           H        ALA  98  11.579   1.918  -0.379
  775    HA   ALA  98           HA       ALA  98   9.758   3.697   1.108
  776   1HB   ALA  98          1HB       ALA  98   9.871   1.461   1.710
  777   2HB   ALA  98          2HB       ALA  98  11.673   1.428   1.908
  778   3HB   ALA  98          3HB       ALA  98  10.704   2.125   3.092
  779    H    ASP  99           H        ASP  99  10.102   5.451   2.341
  780    HA   ASP  99           HA       ASP  99  12.766   6.290   3.183
  781   1HB   ASP  99          1HB       ASP  99  12.784   6.939   1.018
  782   2HB   ASP  99          2HB       ASP  99  11.158   7.736   1.156
  783    HD2  ASP  99           HD       ASP  99  14.531   9.363   2.818
  784    H    LYS 100           H        LYS 100  12.383   7.244   5.181
  785    HA   LYS 100           HA       LYS 100   9.929   7.032   6.618
  786   1HB   LYS 100          1HB       LYS 100  10.771   8.230   8.420
  787   2HB   LYS 100          2HB       LYS 100  11.998   7.082   7.753
  788   1HG   LYS 100          1HG       LYS 100  13.282   9.043   6.770
  789   2HG   LYS 100          2HG       LYS 100  12.226  10.199   7.695
  790   1HD   LYS 100          1HD       LYS 100  13.047   9.253   9.744
  791   2HD   LYS 100          2HD       LYS 100  13.975   8.006   8.938
  792   1HE   LYS 100          1HE       LYS 100  15.184  10.188   7.640
  793   2HE   LYS 100          2HE       LYS 100  14.229  11.166   8.779
  794   1HZ   LYS 100          1HZ       LYS 100  16.067   9.049  10.041
  795   2HZ   LYS 100          2HZ       LYS 100  16.500  10.662   9.682
  796    H    ASP 101           H        ASP 101  11.110  10.065   5.511
  797    HA   ASP 101           HA       ASP 101   8.652  11.550   5.976
  798   1HB   ASP 101          1HB       ASP 101   9.643  13.597   4.910
  799   2HB   ASP 101          2HB       ASP 101  10.719  12.854   6.040
  800    HD2  ASP 101           HD       ASP 101  12.146  13.158   2.450
  801    H    GLY 102           H        GLY 102  10.062  10.250   3.155
  802   1HA   GLY 102          1HA       GLY 102   8.737  11.403   0.889
  803   2HA   GLY 102          2HA       GLY 102   9.515   9.951   0.949
  804    H    LEU 103           H        LEU 103   7.824   8.493   2.756
  805    HA   LEU 103           HA       LEU 103   5.418   7.694   1.336
  806   1HB   LEU 103          1HB       LEU 103   6.567   6.145   2.628
  807   2HB   LEU 103          2HB       LEU 103   6.427   7.061   4.179
  808    HG   LEU 103           HG       LEU 103   3.944   6.598   3.994
  809   1HD1  LEU 103          1HD1      LEU 103   3.280   4.713   2.365
  810   2HD1  LEU 103          2HD1      LEU 103   3.295   6.318   1.711
  811   3HD1  LEU 103          3HD1      LEU 103   4.627   5.153   1.402
  812   1HD2  LEU 103          1HD2      LEU 103   4.337   4.660   5.170
  813   2HD2  LEU 103          2HD2      LEU 103   5.035   3.810   3.937
  814   3HD2  LEU 103          3HD2      LEU 103   6.005   5.012   4.919
  815    HA   PRO 104           HA       PRO 104   2.860  10.887   4.385
  816   1HB   PRO 104          1HB       PRO 104   5.382  12.327   5.329
  817   2HB   PRO 104          2HB       PRO 104   3.711  12.221   5.956
  818   1HG   PRO 104          1HG       PRO 104   5.692  10.660   6.886
  819   2HG   PRO 104          2HG       PRO 104   4.097   9.917   6.648
  820   1HD   PRO 104          1HD       PRO 104   6.507   9.826   4.957
  821   2HD   PRO 104          2HD       PRO 104   5.343   8.470   5.337
  822    H    THR 105           H        THR 105   5.775  11.981   2.562
  823    HA   THR 105           HA       THR 105   4.726  14.541   1.739
  824    HB   THR 105           HB       THR 105   6.863  12.942   0.327
  825    HG1  THR 105           1HG      THR 105   6.958  13.280   2.555
  826   1HG2  THR 105          1HG2      THR 105   7.932  15.251  -0.107
  827   2HG2  THR 105          2HG2      THR 105   6.391  14.835  -1.044
  828   3HG2  THR 105          3HG2      THR 105   6.380  16.042   0.250
  829    H    LEU 106           H        LEU 106   4.990  11.623  -0.099
  830    HA   LEU 106           HA       LEU 106   3.453  12.361  -2.473
  831   1HB   LEU 106          1HB       LEU 106   5.268  10.832  -2.753
  832   2HB   LEU 106          2HB       LEU 106   4.730   9.815  -1.321
  833    HG   LEU 106           HG       LEU 106   2.788   8.921  -2.772
  834   1HD1  LEU 106          1HD1      LEU 106   2.739   9.169  -5.189
  835   2HD1  LEU 106          2HD1      LEU 106   2.791  10.834  -4.590
  836   3HD1  LEU 106          3HD1      LEU 106   4.367  10.145  -5.157
  837   1HD2  LEU 106          1HD2      LEU 106   3.978   7.301  -4.187
  838   2HD2  LEU 106          2HD2      LEU 106   5.511   8.173  -3.896
  839   3HD2  LEU 106          3HD2      LEU 106   4.555   7.548  -2.535
  840    H    VAL 107           H        VAL 107   2.539  10.175   0.297
  841    HA   VAL 107           HA       VAL 107  -0.046   9.729  -0.468
  842    HB   VAL 107           HB       VAL 107   1.084   9.876   2.385
  843   1HG1  VAL 107          1HG1      VAL 107  -1.399  10.275   2.677
  844   2HG1  VAL 107          2HG1      VAL 107  -1.854   8.950   1.701
  845   3HG1  VAL 107          3HG1      VAL 107  -0.953   8.720   3.303
  846   1HG2  VAL 107          1HG2      VAL 107   1.030   7.298   1.970
  847   2HG2  VAL 107          2HG2      VAL 107   0.062   7.580   0.607
  848   3HG2  VAL 107          3HG2      VAL 107   1.720   8.055   0.606
  849    H    ALA 108           H        ALA 108   1.087  12.411   1.417
  850    HA   ALA 108           HA       ALA 108  -1.311  13.906   2.026
  851   1HB   ALA 108          1HB       ALA 108   0.294  15.833   2.220
  852   2HB   ALA 108          2HB       ALA 108   0.741  14.264   3.213
  853   3HB   ALA 108          3HB       ALA 108   1.544  14.893   1.551
  854    H    LYS 109           H        LYS 109   0.989  14.312  -0.684
  855    HA   LYS 109           HA       LYS 109  -0.611  15.962  -2.442
  856   1HB   LYS 109          1HB       LYS 109   1.454  13.786  -3.408
  857   2HB   LYS 109          2HB       LYS 109   0.735  15.036  -4.394
  858   1HG   LYS 109          1HG       LYS 109   1.589  16.847  -3.098
  859   2HG   LYS 109          2HG       LYS 109   2.526  15.868  -2.058
  860   1HD   LYS 109          1HD       LYS 109   3.719  14.916  -4.025
  861   2HD   LYS 109          2HD       LYS 109   2.934  16.078  -5.094
  862   1HE   LYS 109          1HE       LYS 109   3.880  17.919  -3.479
  863   2HE   LYS 109          2HE       LYS 109   4.772  16.663  -2.604
  864   1HZ   LYS 109          1HZ       LYS 109   6.255  16.440  -4.462
  865   2HZ   LYS 109          2HZ       LYS 109   5.183  17.014  -5.549
  866    H    HIS 110           H        HIS 110  -0.893  12.413  -2.143
  867    HA   HIS 110           HA       HIS 110  -2.717  11.846  -4.380
  868   1HB   HIS 110          1HB       HIS 110  -1.232  10.111  -2.522
  869   2HB   HIS 110          2HB       HIS 110  -2.777   9.586  -3.017
  870    HD1  HIS 110           1HD      HIS 110  -3.414   9.023  -5.317
  871    HD2  HIS 110           2HD      HIS 110   0.383  10.740  -4.957
  872    HE1  HIS 110           1HE      HIS 110  -2.413   9.472  -7.635
  873    H    ALA 111           H        ALA 111  -2.978  11.624  -0.991
  874    HA   ALA 111           HA       ALA 111  -5.885  11.389  -0.771
  875   1HB   ALA 111          1HB       ALA 111  -5.661  11.620   1.660
  876   2HB   ALA 111          2HB       ALA 111  -4.061  10.949   1.177
  877   3HB   ALA 111          3HB       ALA 111  -4.302  12.704   1.540
  878    H    THR 112           H        THR 112  -3.976  14.416  -0.438
  879    HA   THR 112           HA       THR 112  -6.212  16.289  -0.319
  880    HB   THR 112           HB       THR 112  -3.288  17.156  -0.812
  881    HG1  THR 112           1HG      THR 112  -3.633  16.124   0.986
  882   1HG2  THR 112          1HG2      THR 112  -5.163  18.817  -1.589
  883   2HG2  THR 112          2HG2      THR 112  -5.600  18.853   0.204
  884   3HG2  THR 112          3HG2      THR 112  -3.896  19.299  -0.359
  885    H    ALA 113           H        ALA 113  -3.823  16.487  -2.983
  886    HA   ALA 113           HA       ALA 113  -5.784  17.370  -4.893
  887   1HB   ALA 113          1HB       ALA 113  -2.906  16.503  -5.354
  888   2HB   ALA 113          2HB       ALA 113  -3.948  17.067  -6.579
  889   3HB   ALA 113          3HB       ALA 113  -3.463  18.128  -5.277
  890    HXT  ALA 113           HO       ALA 113  -7.150  14.485  -6.146
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1 -11.778  10.847  16.401
    2   2H    ALA   1          2H        ALA   1 -12.741   9.831  17.213
    3    HA   ALA   1           HA       ALA   1  -9.788   9.419  16.751
    4   1HB   ALA   1          1HB       ALA   1 -10.183   7.117  17.659
    5   2HB   ALA   1          2HB       ALA   1 -10.462   8.434  18.887
    6   3HB   ALA   1          3HB       ALA   1 -11.783   7.607  18.206
    7    H    GLU   2           H        GLU   2  -9.984   9.641  14.579
    8    HA   GLU   2           HA       GLU   2 -11.617   7.693  12.885
    9   1HB   GLU   2          1HB       GLU   2 -12.630   9.947  13.180
   10   2HB   GLU   2          2HB       GLU   2 -11.275  10.749  12.265
   11   1HG   GLU   2          1HG       GLU   2 -11.675   9.422  10.218
   12   2HG   GLU   2          2HG       GLU   2 -12.797   8.388  10.979
   13    HE2  GLU   2           HE       GLU   2 -15.559  10.362  10.626
   14    H    GLU   3           H        GLU   3 -10.131   6.567  11.940
   15    HA   GLU   3           HA       GLU   3  -7.671   7.653  10.711
   16   1HB   GLU   3          1HB       GLU   3  -6.039   6.632  11.978
   17   2HB   GLU   3          2HB       GLU   3  -7.069   7.418  13.086
   18   1HG   GLU   3          1HG       GLU   3  -8.050   5.293  13.854
   19   2HG   GLU   3          2HG       GLU   3  -7.129   4.462  12.492
   20    HE2  GLU   3           HE       GLU   3  -4.223   4.415  14.328
   21    H    GLY   4           H        GLY   4  -6.309   6.341   9.866
   22   1HA   GLY   4          1HA       GLY   4  -7.336   4.413   7.792
   23   2HA   GLY   4          2HA       GLY   4  -5.690   4.849   7.940
   24    H    GLN   5           H        GLN   5  -5.912   2.340   7.562
   25    HA   GLN   5           HA       GLN   5  -5.633   0.881  10.147
   26   1HB   GLN   5          1HB       GLN   5  -7.614  -0.542   9.859
   27   2HB   GLN   5          2HB       GLN   5  -8.203   1.115   9.775
   28   1HG   GLN   5          1HG       GLN   5  -7.764   0.817   7.134
   29   2HG   GLN   5          2HG       GLN   5  -8.058  -0.844   7.430
   30   1HE2  GLN   5          1HE2      GLN   5  -9.220   2.343   7.832
   31   2HE2  GLN   5          2HE2      GLN   5 -11.026   2.192   7.490
   32    H    VAL   6           H        VAL   6  -3.762   0.153   9.672
   33    HA   VAL   6           HA       VAL   6  -2.914  -1.200   7.200
   34    HB   VAL   6           HB       VAL   6  -1.698  -1.139  10.076
   35   1HG1  VAL   6          1HG1      VAL   6   0.526  -1.730   9.227
   36   2HG1  VAL   6          2HG1      VAL   6  -0.500  -3.036   8.804
   37   3HG1  VAL   6          3HG1      VAL   6  -0.035  -1.891   7.519
   38   1HG2  VAL   6          1HG2      VAL   6  -1.018   0.570   7.529
   39   2HG2  VAL   6          2HG2      VAL   6  -1.894   1.214   8.877
   40   3HG2  VAL   6          3HG2      VAL   6  -0.143   0.720   9.115
   41    H    ILE   7           H        ILE   7  -3.423  -3.145   6.748
   42    HA   ILE   7           HA       ILE   7  -3.784  -5.357   8.675
   43    HB   ILE   7           HB       ILE   7  -5.878  -4.487   7.677
   44   1HG1  ILE   7          1HG1      ILE   7  -5.779  -6.431   8.827
   45   2HG1  ILE   7          2HG1      ILE   7  -7.018  -6.481   7.551
   46   1HG2  ILE   7          1HG2      ILE   7  -6.606  -5.200   5.544
   47   2HG2  ILE   7          2HG2      ILE   7  -5.297  -4.099   5.209
   48   3HG2  ILE   7          3HG2      ILE   7  -4.959  -5.866   5.072
   49   1HD1  ILE   7          1HD1      ILE   7  -5.201  -8.018   6.349
   50   2HD1  ILE   7          2HD1      ILE   7  -4.584  -8.119   8.005
   51   3HD1  ILE   7          3HD1      ILE   7  -6.243  -8.630   7.752
   52    H    ALA   8           H        ALA   8  -2.405  -7.161   8.312
   53    HA   ALA   8           HA       ALA   8  -0.413  -7.458   6.168
   54   1HB   ALA   8          1HB       ALA   8  -0.058  -9.567   7.558
   55   2HB   ALA   8          2HB       ALA   8  -0.174  -8.123   8.533
   56   3HB   ALA   8          3HB       ALA   8  -1.535  -9.254   8.393
   57    H    CYS   9           H        CYS   9  -0.570  -8.672   4.571
   58    HA   CYS   9           HA       CYS   9  -2.945 -10.159   3.498
   59   1HB   CYS   9          1HB       CYS   9  -1.132  -8.083   2.233
   60   2HB   CYS   9          2HB       CYS   9  -2.274  -9.039   1.290
   61    HG   CYS   9           HG       CYS   9  -4.413  -8.372   2.504
   62    H    HIS  10           H        HIS  10  -2.525 -12.009   2.856
   63    HA   HIS  10           HA       HIS  10   0.203 -13.290   2.557
   64   1HB   HIS  10          1HB       HIS  10  -2.296 -14.735   3.801
   65   2HB   HIS  10          2HB       HIS  10  -0.639 -15.333   3.823
   66    HD1  HIS  10           1HD      HIS  10  -3.140 -13.169   5.706
   67    HD2  HIS  10           2HD      HIS  10   1.065 -13.828   5.754
   68    HE1  HIS  10           1HE      HIS  10  -2.078 -12.455   7.931
   69    H    THR  11           H        THR  11  -3.108 -13.436   1.097
   70    HA   THR  11           HA       THR  11  -2.250 -15.318  -0.993
   71    HB   THR  11           HB       THR  11  -3.903 -16.986  -0.640
   72    HG1  THR  11           1HG      THR  11  -5.090 -17.104   1.122
   73   1HG2  THR  11          1HG2      THR  11  -3.020 -18.247   1.156
   74   2HG2  THR  11          2HG2      THR  11  -1.572 -17.255   0.590
   75   3HG2  THR  11          3HG2      THR  11  -2.571 -16.794   2.054
   76    H    VAL  12           H        VAL  12  -4.889 -15.819  -1.823
   77    HA   VAL  12           HA       VAL  12  -5.782 -13.436  -3.449
   78    HB   VAL  12           HB       VAL  12  -5.597 -15.733  -4.454
   79   1HG1  VAL  12          1HG1      VAL  12  -7.957 -16.673  -2.663
   80   2HG1  VAL  12          2HG1      VAL  12  -7.254 -17.481  -4.112
   81   3HG1  VAL  12          3HG1      VAL  12  -6.376 -17.178  -2.456
   82   1HG2  VAL  12          1HG2      VAL  12  -8.556 -14.602  -4.257
   83   2HG2  VAL  12          2HG2      VAL  12  -7.202 -14.045  -5.410
   84   3HG2  VAL  12          3HG2      VAL  12  -8.052 -15.669  -5.591
   85    H    ASP  13           H        ASP  13  -6.514 -14.568  -0.386
   86    HA   ASP  13           HA       ASP  13  -9.101 -13.319   0.022
   87   1HB   ASP  13          1HB       ASP  13  -6.614 -14.075   1.931
   88   2HB   ASP  13          2HB       ASP  13  -7.934 -13.068   2.534
   89    HD2  ASP  13           HD       ASP  13  -9.806 -13.723   2.973
   90    H    THR  14           H        THR  14  -5.551 -11.942   0.404
   91    HA   THR  14           HA       THR  14  -6.389  -9.317   0.669
   92    HB   THR  14           HB       THR  14  -4.039 -10.205   0.489
   93    HG1  THR  14           1HG      THR  14  -5.036  -8.107   0.710
   94   1HG2  THR  14          1HG2      THR  14  -4.141  -9.012  -2.312
   95   2HG2  THR  14          2HG2      THR  14  -2.708  -9.547  -1.468
   96   3HG2  THR  14          3HG2      THR  14  -3.865 -10.776  -2.184
   97    H    TRP  15           H        TRP  15  -6.440 -11.149  -2.432
   98    HA   TRP  15           HA       TRP  15  -7.296  -8.997  -4.223
   99   1HB   TRP  15          1HB       TRP  15  -7.830 -12.033  -4.497
  100   2HB   TRP  15          2HB       TRP  15  -8.841 -10.986  -5.396
  101    HD1  TRP  15           HD       TRP  15  -5.336 -12.435  -5.482
  102    HE1  TRP  15           1HE      TRP  15  -4.006 -11.694  -7.598
  103    HE3  TRP  15           3HE      TRP  15  -8.739  -8.937  -7.096
  104    HZ2  TRP  15           2HZ      TRP  15  -4.753  -9.945  -9.966
  105    HZ3  TRP  15           3HZ      TRP  15  -8.418  -7.930  -9.168
  106    HH2  TRP  15           HH       TRP  15  -6.615  -8.406 -10.687
  107    H    LYS  16           H        LYS  16  -9.301 -11.127  -2.256
  108    HA   LYS  16           HA       LYS  16 -11.806  -9.576  -2.748
  109   1HB   LYS  16          1HB       LYS  16 -11.274 -11.061  -0.212
  110   2HB   LYS  16          2HB       LYS  16 -12.930 -10.671  -0.734
  111   1HG   LYS  16          1HG       LYS  16 -12.667 -12.059  -2.790
  112   2HG   LYS  16          2HG       LYS  16 -11.112 -12.753  -2.006
  113   1HD   LYS  16          1HD       LYS  16 -13.912 -12.996  -0.811
  114   2HD   LYS  16          2HD       LYS  16 -13.100 -14.220  -1.821
  115   1HE   LYS  16          1HE       LYS  16 -11.106 -14.223  -0.034
  116   2HE   LYS  16          2HE       LYS  16 -12.238 -13.128   0.906
  117   1HZ   LYS  16          1HZ       LYS  16 -12.427 -15.350   1.537
  118   2HZ   LYS  16          2HZ       LYS  16 -13.797 -14.881   0.963
  119    H    GLU  17           H        GLU  17  -9.338  -8.935  -0.478
  120    HA   GLU  17           HA       GLU  17 -10.701  -6.708   0.990
  121   1HB   GLU  17          1HB       GLU  17  -7.838  -7.714   1.086
  122   2HB   GLU  17          2HB       GLU  17  -8.249  -6.054   1.631
  123   1HG   GLU  17          1HG       GLU  17  -9.951  -7.092   3.288
  124   2HG   GLU  17          2HG       GLU  17  -9.658  -8.692   2.614
  125    HE2  GLU  17           HE       GLU  17  -7.461  -7.790   5.519
  126    H    HIS  18           H        HIS  18  -8.009  -6.574  -1.320
  127    HA   HIS  18           HA       HIS  18  -7.709  -3.724  -1.479
  128   1HB   HIS  18          1HB       HIS  18  -5.831  -5.230  -1.778
  129   2HB   HIS  18          2HB       HIS  18  -6.693  -6.187  -2.892
  130    HD1  HIS  18           1HD      HIS  18  -7.098  -5.144  -5.515
  131    HD2  HIS  18           2HD      HIS  18  -3.977  -3.678  -2.949
  132    HE1  HIS  18           1HE      HIS  18  -5.360  -3.950  -6.917
  133    H    PHE  19           H        PHE  19  -8.919  -5.673  -4.025
  134    HA   PHE  19           HA       PHE  19  -9.548  -3.660  -5.730
  135   1HB   PHE  19          1HB       PHE  19  -9.422  -6.253  -6.144
  136   2HB   PHE  19          2HB       PHE  19 -11.133  -6.052  -6.507
  137    HD1  PHE  19           1HD      PHE  19 -11.926  -4.449  -8.321
  138    HD2  PHE  19           2HD      PHE  19  -7.671  -5.231  -7.640
  139    HE1  PHE  19           1HE      PHE  19 -11.371  -3.724 -10.593
  140    HE2  PHE  19           2HE      PHE  19  -7.168  -4.446  -9.782
  141    HZ   PHE  19           HZ       PHE  19  -9.029  -3.733 -11.359
  142    H    GLU  20           H        GLU  20 -11.646  -5.534  -3.779
  143    HA   GLU  20           HA       GLU  20 -14.309  -4.329  -4.173
  144   1HB   GLU  20          1HB       GLU  20 -13.220  -5.578  -1.685
  145   2HB   GLU  20          2HB       GLU  20 -14.858  -5.169  -1.899
  146   1HG   GLU  20          1HG       GLU  20 -13.336  -7.342  -3.440
  147   2HG   GLU  20          2HG       GLU  20 -14.388  -7.542  -2.155
  148    HE2  GLU  20           HE       GLU  20 -17.381  -7.175  -3.707
  149    H    LYS  21           H        LYS  21 -12.069  -3.619  -1.407
  150    HA   LYS  21           HA       LYS  21 -13.355  -1.250  -0.631
  151   1HB   LYS  21          1HB       LYS  21 -10.324  -1.946  -0.336
  152   2HB   LYS  21          2HB       LYS  21 -11.061  -0.602   0.316
  153   1HG   LYS  21          1HG       LYS  21 -12.124  -3.455   0.930
  154   2HG   LYS  21          2HG       LYS  21 -10.623  -2.777   1.709
  155   1HD   LYS  21          1HD       LYS  21 -11.994  -0.860   2.508
  156   2HD   LYS  21          2HD       LYS  21 -13.448  -1.465   1.799
  157   1HE   LYS  21          1HE       LYS  21 -13.731  -2.243   3.936
  158   2HE   LYS  21          2HE       LYS  21 -12.896  -3.662   3.369
  159   1HZ   LYS  21          1HZ       LYS  21 -11.594  -1.405   4.733
  160   2HZ   LYS  21          2HZ       LYS  21 -11.915  -2.868   5.445
  161    H    GLY  22           H        GLY  22 -10.468  -1.373  -2.819
  162   1HA   GLY  22          1HA       GLY  22 -10.128   1.284  -3.593
  163   2HA   GLY  22          2HA       GLY  22  -9.786  -0.065  -4.568
  164    H    LYS  23           H        LYS  23 -11.381  -0.839  -5.902
  165    HA   LYS  23           HA       LYS  23 -13.311   1.153  -6.939
  166   1HB   LYS  23          1HB       LYS  23 -11.787  -0.067  -8.457
  167   2HB   LYS  23          2HB       LYS  23 -12.811  -1.480  -8.147
  168   1HG   LYS  23          1HG       LYS  23 -14.767   0.441  -8.777
  169   2HG   LYS  23          2HG       LYS  23 -13.380   1.207  -9.459
  170   1HD   LYS  23          1HD       LYS  23 -14.161  -1.632 -10.052
  171   2HD   LYS  23          2HD       LYS  23 -15.073  -0.435 -10.977
  172   1HE   LYS  23          1HE       LYS  23 -11.967  -0.489 -10.968
  173   2HE   LYS  23          2HE       LYS  23 -12.804  -1.547 -12.012
  174   1HZ   LYS  23          1HZ       LYS  23 -13.632   0.404 -13.218
  175   2HZ   LYS  23          2HZ       LYS  23 -13.460   1.250 -11.871
  176    H    GLY  24           H        GLY  24 -14.570   1.172  -5.474
  177   1HA   GLY  24          1HA       GLY  24 -16.958   0.086  -5.615
  178   2HA   GLY  24          2HA       GLY  24 -16.410  -0.926  -4.380
  179    H    SER  25           H        SER  25 -14.860   1.405  -3.458
  180    HA   SER  25           HA       SER  25 -16.876   2.792  -1.770
  181   1HB   SER  25          1HB       SER  25 -14.175   1.759  -0.801
  182   2HB   SER  25          2HB       SER  25 -15.272   2.690   0.163
  183    HG   SER  25           HG       SER  25 -15.856   0.286  -1.161
  184    H    GLN  26           H        GLN  26 -16.674   4.854  -1.844
  185    HA   GLN  26           HA       GLN  26 -14.738   6.442  -3.258
  186   1HB   GLN  26          1HB       GLN  26 -16.838   7.172  -1.108
  187   2HB   GLN  26          2HB       GLN  26 -15.901   8.421  -1.977
  188   1HG   GLN  26          1HG       GLN  26 -17.993   8.309  -3.162
  189   2HG   GLN  26          2HG       GLN  26 -16.833   7.672  -4.160
  190   1HE2  GLN  26          1HE2      GLN  26 -17.515   5.961  -5.156
  191   2HE2  GLN  26          2HE2      GLN  26 -18.555   4.647  -4.354
  192    H    LYS  27           H        LYS  27 -12.763   5.340  -2.259
  193    HA   LYS  27           HA       LYS  27 -11.573   7.088  -0.249
  194   1HB   LYS  27          1HB       LYS  27 -10.632   5.165   1.114
  195   2HB   LYS  27          2HB       LYS  27 -12.345   5.441   1.253
  196   1HG   LYS  27          1HG       LYS  27 -12.963   3.627  -0.101
  197   2HG   LYS  27          2HG       LYS  27 -11.338   3.313  -0.586
  198   1HD   LYS  27          1HD       LYS  27 -11.893   1.640   1.118
  199   2HD   LYS  27          2HD       LYS  27 -10.816   2.824   1.978
  200   1HE   LYS  27          1HE       LYS  27 -12.866   3.993   2.827
  201   2HE   LYS  27          2HE       LYS  27 -13.912   2.805   1.961
  202   1HZ   LYS  27          1HZ       LYS  27 -12.197   2.179   4.151
  203   2HZ   LYS  27          2HZ       LYS  27 -13.806   2.040   4.019
  204    H    LEU  28           H        LEU  28  -9.427   7.066  -0.497
  205    HA   LEU  28           HA       LEU  28  -7.937   5.536  -2.606
  206   1HB   LEU  28          1HB       LEU  28  -7.564   8.003  -1.532
  207   2HB   LEU  28          2HB       LEU  28  -6.848   6.938  -0.158
  208    HG   LEU  28           HG       LEU  28  -5.067   6.265  -1.845
  209   1HD1  LEU  28          1HD1      LEU  28  -4.795   7.557  -3.973
  210   2HD1  LEU  28          2HD1      LEU  28  -6.318   6.837  -4.057
  211   3HD1  LEU  28          3HD1      LEU  28  -6.149   8.558  -3.623
  212   1HD2  LEU  28          1HD2      LEU  28  -4.634   8.482  -0.266
  213   2HD2  LEU  28          2HD2      LEU  28  -3.833   8.708  -1.761
  214   3HD2  LEU  28          3HD2      LEU  28  -5.369   9.365  -1.545
  215    H    ILE  29           H        ILE  29  -6.599   3.821  -2.312
  216    HA   ILE  29           HA       ILE  29  -6.308   2.308   0.190
  217    HB   ILE  29           HB       ILE  29  -6.773   0.124  -0.312
  218   1HG1  ILE  29          1HG1      ILE  29  -8.157  -0.305  -2.633
  219   2HG1  ILE  29          2HG1      ILE  29  -6.940   0.846  -3.166
  220   1HG2  ILE  29          1HG2      ILE  29  -9.247   0.354  -0.375
  221   2HG2  ILE  29          2HG2      ILE  29  -8.597   1.767   0.454
  222   3HG2  ILE  29          3HG2      ILE  29  -9.260   1.918  -1.134
  223   1HD1  ILE  29          1HD1      ILE  29  -6.412  -1.495  -3.485
  224   2HD1  ILE  29          2HD1      ILE  29  -5.219  -0.625  -2.522
  225   3HD1  ILE  29          3HD1      ILE  29  -6.489  -1.665  -1.722
  226    H    VAL  30           H        VAL  30  -4.401   1.731   0.416
  227    HA   VAL  30           HA       VAL  30  -2.123   2.025  -1.533
  228    HB   VAL  30           HB       VAL  30  -2.285   3.341   1.211
  229   1HG1  VAL  30          1HG1      VAL  30   0.118   3.600  -0.756
  230   2HG1  VAL  30          2HG1      VAL  30  -0.162   4.427   0.798
  231   3HG1  VAL  30          3HG1      VAL  30   0.073   2.612   0.800
  232   1HG2  VAL  30          1HG2      VAL  30  -2.263   5.513   0.055
  233   2HG2  VAL  30          2HG2      VAL  30  -1.870   4.736  -1.571
  234   3HG2  VAL  30          3HG2      VAL  30  -3.445   4.510  -0.815
  235    H    VAL  31           H        VAL  31  -1.025   0.585  -1.629
  236    HA   VAL  31           HA       VAL  31  -0.575  -1.573   0.338
  237    HB   VAL  31           HB       VAL  31  -2.189  -2.029  -1.152
  238   1HG1  VAL  31          1HG1      VAL  31  -1.981  -0.628  -2.999
  239   2HG1  VAL  31          2HG1      VAL  31  -0.590  -1.407  -3.546
  240   3HG1  VAL  31          3HG1      VAL  31  -2.179  -2.383  -3.453
  241   1HG2  VAL  31          1HG2      VAL  31  -1.250  -4.287  -2.287
  242   2HG2  VAL  31          2HG2      VAL  31   0.363  -3.737  -1.584
  243   3HG2  VAL  31          3HG2      VAL  31  -1.044  -4.079  -0.545
  244    H    ASP  32           H        ASP  32   1.447  -1.568   1.138
  245    HA   ASP  32           HA       ASP  32   3.999  -1.433  -0.466
  246   1HB   ASP  32          1HB       ASP  32   3.905  -1.028   2.188
  247   2HB   ASP  32          2HB       ASP  32   3.986  -2.774   2.393
  248    HD2  ASP  32           HD       ASP  32   7.309  -1.598   0.718
  249    H    PHE  33           H        PHE  33   5.162  -2.898  -1.228
  250    HA   PHE  33           HA       PHE  33   4.540  -5.844  -1.117
  251   1HB   PHE  33          1HB       PHE  33   5.244  -3.929  -3.638
  252   2HB   PHE  33          2HB       PHE  33   5.230  -5.647  -3.738
  253    HD1  PHE  33           1HD      PHE  33   3.274  -7.218  -3.806
  254    HD2  PHE  33           2HD      PHE  33   2.849  -2.741  -3.755
  255    HE1  PHE  33           1HE      PHE  33   0.950  -7.359  -4.343
  256    HE2  PHE  33           2HE      PHE  33   0.545  -3.056  -4.496
  257    HZ   PHE  33           HZ       PHE  33  -0.496  -5.391  -4.577
  258    H    THR  34           H        THR  34   6.281  -6.624  -0.107
  259    HA   THR  34           HA       THR  34   8.915  -5.696  -0.502
  260    HB   THR  34           HB       THR  34   7.930  -3.882   1.045
  261    HG1  THR  34           1HG      THR  34  10.293  -5.552   1.370
  262   1HG2  THR  34          1HG2      THR  34   6.559  -5.370   2.457
  263   2HG2  THR  34          2HG2      THR  34   7.939  -5.915   3.328
  264   3HG2  THR  34          3HG2      THR  34   7.578  -4.062   3.280
  265    H    ALA  35           H        ALA  35  10.149  -7.251   0.254
  266    HA   ALA  35           HA       ALA  35   9.177  -9.663   1.622
  267   1HB   ALA  35          1HB       ALA  35  11.224  -9.410  -0.014
  268   2HB   ALA  35          2HB       ALA  35  11.998  -8.300   1.109
  269   3HB   ALA  35          3HB       ALA  35  11.717  -9.931   1.600
  270    H    SER  36           H        SER  36   9.090 -10.239   3.488
  271    HA   SER  36           HA       SER  36   9.189  -8.676   5.946
  272   1HB   SER  36          1HB       SER  36   7.832 -10.693   5.712
  273   2HB   SER  36          2HB       SER  36   9.201 -11.720   5.628
  274    HG   SER  36           HG       SER  36   8.747  -9.914   7.729
  275    H    TRP  37           H        TRP  37  11.620 -10.829   4.687
  276    HA   TRP  37           HA       TRP  37  13.961  -9.868   6.234
  277   1HB   TRP  37          1HB       TRP  37  15.313 -10.752   4.550
  278   2HB   TRP  37          2HB       TRP  37  14.058 -11.957   5.112
  279    HD1  TRP  37           HD       TRP  37  11.765 -12.125   3.507
  280    HE1  TRP  37           1HE      TRP  37  11.603 -12.801   1.014
  281    HE3  TRP  37           3HE      TRP  37  16.451 -10.732   2.310
  282    HZ2  TRP  37           2HZ      TRP  37  13.527 -12.837  -1.154
  283    HZ3  TRP  37           3HZ      TRP  37  17.322 -11.277  -0.112
  284    HH2  TRP  37           HH       TRP  37  15.666 -12.316  -1.716
  285    H    CYS  38           H        CYS  38  13.690  -7.577   6.147
  286    HA   CYS  38           HA       CYS  38  15.080  -6.079   4.077
  287   1HB   CYS  38          1HB       CYS  38  13.157  -6.179   2.569
  288   2HB   CYS  38          2HB       CYS  38  12.150  -5.709   3.983
  289    HG   CYS  38           HG       CYS  38  14.471  -3.899   2.342
  290    HA   PRO  39           HA       PRO  39  14.892  -4.033   8.423
  291   1HB   PRO  39          1HB       PRO  39  17.414  -2.982   7.215
  292   2HB   PRO  39          2HB       PRO  39  17.140  -3.448   8.900
  293   1HG   PRO  39          1HG       PRO  39  18.458  -5.040   7.332
  294   2HG   PRO  39          2HG       PRO  39  17.229  -5.835   8.376
  295   1HD   PRO  39          1HD       PRO  39  17.134  -5.063   5.492
  296   2HD   PRO  39          2HD       PRO  39  16.524  -6.605   6.131
  297    HA   PRO  40           HA       PRO  40  14.654   0.363   6.141
  298   1HB   PRO  40          1HB       PRO  40  14.137  -0.497   3.311
  299   2HB   PRO  40          2HB       PRO  40  15.059   0.955   3.833
  300   1HG   PRO  40          1HG       PRO  40  16.475  -1.179   2.798
  301   2HG   PRO  40          2HG       PRO  40  17.031  -0.108   4.196
  302   1HD   PRO  40          1HD       PRO  40  15.695  -2.935   4.288
  303   2HD   PRO  40          2HD       PRO  40  17.052  -2.367   5.269
  304    H    CYS  41           H        CYS  41  12.912  -2.232   4.795
  305    HA   CYS  41           HA       CYS  41  10.314  -1.030   5.291
  306   1HB   CYS  41          1HB       CYS  41  10.557  -3.801   4.088
  307   2HB   CYS  41          2HB       CYS  41   9.094  -3.027   4.549
  308    HG   CYS  41           HG       CYS  41   8.695  -1.592   2.690
  309    H    LYS  42           H        LYS  42  12.043  -3.417   7.088
  310    HA   LYS  42           HA       LYS  42  10.156  -3.614   9.174
  311   1HB   LYS  42          1HB       LYS  42  12.377  -4.852   8.993
  312   2HB   LYS  42          2HB       LYS  42  13.090  -3.302   9.623
  313   1HG   LYS  42          1HG       LYS  42  12.059  -3.732  11.761
  314   2HG   LYS  42          2HG       LYS  42  10.903  -4.910  11.202
  315   1HD   LYS  42          1HD       LYS  42  12.757  -6.549  10.816
  316   2HD   LYS  42          2HD       LYS  42  13.982  -5.474  11.323
  317   1HE   LYS  42          1HE       LYS  42  13.263  -7.346  12.968
  318   2HE   LYS  42          2HE       LYS  42  13.045  -5.691  13.729
  319   1HZ   LYS  42          1HZ       LYS  42  11.064  -6.890  14.110
  320   2HZ   LYS  42          2HZ       LYS  42  10.715  -5.859  12.795
  321    H    MET  43           H        MET  43  12.444  -0.989   9.025
  322    HA   MET  43           HA       MET  43  11.002   0.611  11.152
  323   1HB   MET  43          1HB       MET  43  12.391   2.659  10.511
  324   2HB   MET  43          2HB       MET  43  13.269   1.304  10.814
  325   1HG   MET  43          1HG       MET  43  13.671   1.076   8.159
  326   2HG   MET  43          2HG       MET  43  12.794   2.583   7.927
  327   1HE   MET  43          1HE       MET  43  13.091   4.698   9.351
  328   2HE   MET  43          2HE       MET  43  14.722   5.233   9.729
  329   3HE   MET  43          3HE       MET  43  14.274   5.016   8.019
  330    H    ILE  44           H        ILE  44  10.725   0.689   7.479
  331    HA   ILE  44           HA       ILE  44   8.615   2.505   7.422
  332    HB   ILE  44           HB       ILE  44   9.988   1.403   5.406
  333   1HG1  ILE  44          1HG1      ILE  44   8.574   2.766   3.801
  334   2HG1  ILE  44          2HG1      ILE  44   7.491   3.058   5.077
  335   1HG2  ILE  44          1HG2      ILE  44   7.215   0.468   4.612
  336   2HG2  ILE  44          2HG2      ILE  44   8.863   0.080   3.985
  337   3HG2  ILE  44          3HG2      ILE  44   8.274  -0.583   5.552
  338   1HD1  ILE  44          1HD1      ILE  44  10.447   3.930   5.065
  339   2HD1  ILE  44          2HD1      ILE  44   9.029   4.869   4.793
  340   3HD1  ILE  44          3HD1      ILE  44   9.331   4.303   6.373
  341    H    ALA  45           H        ALA  45   7.890  -0.905   8.025
  342    HA   ALA  45           HA       ALA  45   5.189  -0.615   8.178
  343   1HB   ALA  45          1HB       ALA  45   6.744  -2.246  10.280
  344   2HB   ALA  45          2HB       ALA  45   4.925  -2.439   9.756
  345   3HB   ALA  45          3HB       ALA  45   6.307  -2.772   8.650
  346    HA   PRO  46           HA       PRO  46   4.820   1.633  12.562
  347   1HB   PRO  46          1HB       PRO  46   7.722   2.545  12.826
  348   2HB   PRO  46          2HB       PRO  46   6.461   2.234  14.085
  349   1HG   PRO  46          1HG       PRO  46   8.488   0.368  13.416
  350   2HG   PRO  46          2HG       PRO  46   6.804  -0.142  13.921
  351   1HD   PRO  46          1HD       PRO  46   8.011  -0.211  11.063
  352   2HD   PRO  46          2HD       PRO  46   6.892  -1.233  11.956
  353    H    ILE  47           H        ILE  47   7.102   2.955  10.011
  354    HA   ILE  47           HA       ILE  47   5.722   5.625   9.990
  355    HB   ILE  47           HB       ILE  47   7.393   4.335   7.786
  356   1HG1  ILE  47          1HG1      ILE  47   8.730   4.859   9.629
  357   2HG1  ILE  47          2HG1      ILE  47   9.123   5.824   8.171
  358   1HG2  ILE  47          1HG2      ILE  47   5.776   5.981   6.670
  359   2HG2  ILE  47          2HG2      ILE  47   6.155   7.290   7.772
  360   3HG2  ILE  47          3HG2      ILE  47   7.375   6.737   6.619
  361   1HD1  ILE  47          1HD1      ILE  47   9.152   7.206  10.204
  362   2HD1  ILE  47          2HD1      ILE  47   8.002   7.826   9.160
  363   3HD1  ILE  47          3HD1      ILE  47   7.518   6.787  10.596
  364    H    PHE  48           H        PHE  48   5.054   2.852   7.865
  365    HA   PHE  48           HA       PHE  48   2.515   3.729   6.681
  366   1HB   PHE  48          1HB       PHE  48   4.002   1.263   6.733
  367   2HB   PHE  48          2HB       PHE  48   2.755   0.836   7.782
  368    HD1  PHE  48           1HD      PHE  48   1.217  -0.578   6.642
  369    HD2  PHE  48           2HD      PHE  48   3.109   2.628   4.317
  370    HE1  PHE  48           1HE      PHE  48  -0.051  -1.168   4.659
  371    HE2  PHE  48           2HE      PHE  48   1.585   2.020   2.530
  372    HZ   PHE  48           HZ       PHE  48   0.124   0.056   2.677
  373    H    ALA  49           H        ALA  49   2.753   2.320   9.865
  374    HA   ALA  49           HA       ALA  49  -0.136   2.602  10.543
  375   1HB   ALA  49          1HB       ALA  49   1.294   0.840  11.480
  376   2HB   ALA  49          2HB       ALA  49   2.345   2.073  12.230
  377   3HB   ALA  49          3HB       ALA  49   0.677   1.881  12.748
  378    H    GLU  50           H        GLU  50   2.868   4.849  11.360
  379    HA   GLU  50           HA       GLU  50   1.340   6.785  12.781
  380   1HB   GLU  50          1HB       GLU  50   3.926   6.307  12.737
  381   2HB   GLU  50          2HB       GLU  50   3.970   7.005  11.110
  382   1HG   GLU  50          1HG       GLU  50   2.867   9.108  12.344
  383   2HG   GLU  50          2HG       GLU  50   3.235   8.279  13.936
  384    HE2  GLU  50           HE       GLU  50   6.438   9.250  11.588
  385    H    LEU  51           H        LEU  51   2.085   6.559   9.439
  386    HA   LEU  51           HA       LEU  51   0.762   9.088   8.433
  387   1HB   LEU  51          1HB       LEU  51   2.774   8.239   7.556
  388   2HB   LEU  51          2HB       LEU  51   2.229   6.602   7.404
  389    HG   LEU  51           HG       LEU  51   2.545   8.047   5.374
  390   1HD1  LEU  51          1HD1      LEU  51  -0.130   6.435   5.751
  391   2HD1  LEU  51          2HD1      LEU  51   0.344   7.008   4.247
  392   3HD1  LEU  51          3HD1      LEU  51   1.424   5.932   5.176
  393   1HD2  LEU  51          1HD2      LEU  51   1.321  10.123   6.263
  394   2HD2  LEU  51          2HD2      LEU  51   0.761   9.638   4.633
  395   3HD2  LEU  51          3HD2      LEU  51  -0.200   9.274   6.045
  396    H    ALA  52           H        ALA  52  -0.397   5.712   8.949
  397    HA   ALA  52           HA       ALA  52  -3.073   6.119   7.906
  398   1HB   ALA  52          1HB       ALA  52  -2.361   3.878   8.364
  399   2HB   ALA  52          2HB       ALA  52  -2.141   4.149  10.085
  400   3HB   ALA  52          3HB       ALA  52  -3.714   4.232   9.379
  401    H    LYS  53           H        LYS  53  -1.633   6.718  11.008
  402    HA   LYS  53           HA       LYS  53  -4.021   7.737  12.267
  403   1HB   LYS  53          1HB       LYS  53  -1.001   8.037  13.085
  404   2HB   LYS  53          2HB       LYS  53  -2.370   8.563  14.037
  405   1HG   LYS  53          1HG       LYS  53  -3.379   6.504  14.392
  406   2HG   LYS  53          2HG       LYS  53  -2.356   5.672  13.228
  407   1HD   LYS  53          1HD       LYS  53  -0.310   6.264  14.789
  408   2HD   LYS  53          2HD       LYS  53  -1.489   6.839  15.993
  409   1HE   LYS  53          1HE       LYS  53  -2.553   4.440  15.719
  410   2HE   LYS  53          2HE       LYS  53  -1.125   4.064  14.743
  411   1HZ   LYS  53          1HZ       LYS  53   0.182   4.868  16.722
  412   2HZ   LYS  53          2HZ       LYS  53  -1.121   4.632  17.675
  413    H    LYS  54           H        LYS  54  -1.646   9.331  10.107
  414    HA   LYS  54           HA       LYS  54  -2.417  12.099  10.802
  415   1HB   LYS  54          1HB       LYS  54  -0.079  11.506  10.336
  416   2HB   LYS  54          2HB       LYS  54  -0.470  10.886   8.704
  417   1HG   LYS  54          1HG       LYS  54  -1.063  13.192   7.988
  418   2HG   LYS  54          2HG       LYS  54  -0.789  13.718   9.663
  419   1HD   LYS  54          1HD       LYS  54   1.319  12.524   7.808
  420   2HD   LYS  54          2HD       LYS  54   1.038  14.253   7.946
  421   1HE   LYS  54          1HE       LYS  54   1.777  14.062  10.428
  422   2HE   LYS  54          2HE       LYS  54   2.152  12.394  10.123
  423   1HZ   LYS  54          1HZ       LYS  54   3.770  14.436   9.767
  424   2HZ   LYS  54          2HZ       LYS  54   3.983  13.058   8.924
  425    H    PHE  55           H        PHE  55  -3.262   9.623   8.616
  426    HA   PHE  55           HA       PHE  55  -4.994  11.371   6.892
  427   1HB   PHE  55          1HB       PHE  55  -2.626   9.548   6.255
  428   2HB   PHE  55          2HB       PHE  55  -4.016   9.655   5.108
  429    HD1  PHE  55           1HD      PHE  55  -0.955  11.463   6.147
  430    HD2  PHE  55           2HD      PHE  55  -4.928  11.956   4.517
  431    HE1  PHE  55           1HE      PHE  55  -0.365  13.668   5.273
  432    HE2  PHE  55           2HE      PHE  55  -4.256  14.134   3.512
  433    HZ   PHE  55           HZ       PHE  55  -1.876  14.926   3.863
  434    HA   PRO  56           HA       PRO  56  -8.128   7.983   7.980
  435   1HB   PRO  56          1HB       PRO  56 -10.104   9.330   8.736
  436   2HB   PRO  56          2HB       PRO  56  -8.607   9.290   9.755
  437   1HG   PRO  56          1HG       PRO  56  -9.249  11.551   7.872
  438   2HG   PRO  56          2HG       PRO  56  -8.634  11.662   9.564
  439   1HD   PRO  56          1HD       PRO  56  -6.870  11.827   7.527
  440   2HD   PRO  56          2HD       PRO  56  -6.563  11.066   8.975
  441    H    ASN  57           H        ASN  57  -8.082   9.454   5.043
  442    HA   ASN  57           HA       ASN  57 -10.814   8.766   4.093
  443   1HB   ASN  57          1HB       ASN  57 -10.401  10.067   2.077
  444   2HB   ASN  57          2HB       ASN  57 -10.056  11.084   3.430
  445   1HD2  ASN  57          2HD2      ASN  57  -7.773  11.557   3.797
  446   2HD2  ASN  57          1HD2      ASN  57  -6.630  11.666   2.354
  447    H    VAL  58           H        VAL  58  -8.014   7.176   4.748
  448    HA   VAL  58           HA       VAL  58  -7.926   5.763   2.189
  449    HB   VAL  58           HB       VAL  58  -6.627   7.624   1.957
  450   1HG1  VAL  58          1HG1      VAL  58  -4.994   7.072   4.446
  451   2HG1  VAL  58          2HG1      VAL  58  -4.816   8.538   3.259
  452   3HG1  VAL  58          3HG1      VAL  58  -6.299   8.381   4.267
  453   1HG2  VAL  58          1HG2      VAL  58  -5.542   5.362   1.292
  454   2HG2  VAL  58          2HG2      VAL  58  -4.387   6.699   1.502
  455   3HG2  VAL  58          3HG2      VAL  58  -4.565   5.526   2.724
  456    H    THR  59           H        THR  59  -8.208   3.683   2.635
  457    HA   THR  59           HA       THR  59  -7.269   2.099   5.030
  458    HB   THR  59           HB       THR  59  -8.543   1.285   2.351
  459    HG1  THR  59           1HG      THR  59  -9.596   2.108   4.637
  460   1HG2  THR  59          1HG2      THR  59  -7.688  -0.768   4.287
  461   2HG2  THR  59          2HG2      THR  59  -8.961  -0.942   3.091
  462   3HG2  THR  59          3HG2      THR  59  -7.270  -0.526   2.556
  463    H    PHE  60           H        PHE  60  -5.699   0.708   5.076
  464    HA   PHE  60           HA       PHE  60  -3.454   0.624   3.073
  465   1HB   PHE  60          1HB       PHE  60  -3.314   0.987   6.141
  466   2HB   PHE  60          2HB       PHE  60  -1.836   0.761   5.199
  467    HD1  PHE  60           1HD      PHE  60  -1.141   2.465   3.453
  468    HD2  PHE  60           2HD      PHE  60  -4.184   3.220   6.358
  469    HE1  PHE  60           1HE      PHE  60  -0.712   4.842   3.202
  470    HE2  PHE  60           2HE      PHE  60  -3.855   5.647   6.090
  471    HZ   PHE  60           HZ       PHE  60  -2.244   6.554   4.422
  472    H    LEU  61           H        LEU  61  -2.574  -1.276   2.585
  473    HA   LEU  61           HA       LEU  61  -2.574  -3.400   4.463
  474   1HB   LEU  61          1HB       LEU  61  -3.632  -4.888   3.008
  475   2HB   LEU  61          2HB       LEU  61  -4.525  -3.486   3.084
  476    HG   LEU  61           HG       LEU  61  -3.157  -2.960   0.739
  477   1HD1  LEU  61          1HD1      LEU  61  -3.673  -6.019   0.867
  478   2HD1  LEU  61          2HD1      LEU  61  -3.015  -5.254  -0.650
  479   3HD1  LEU  61          3HD1      LEU  61  -2.041  -5.445   0.847
  480   1HD2  LEU  61          1HD2      LEU  61  -5.498  -2.732   0.942
  481   2HD2  LEU  61          2HD2      LEU  61  -4.971  -3.700  -0.581
  482   3HD2  LEU  61          3HD2      LEU  61  -5.768  -4.497   0.810
  483    H    LYS  62           H        LYS  62  -1.276  -5.150   3.643
  484    HA   LYS  62           HA       LYS  62   1.322  -4.457   2.305
  485   1HB   LYS  62          1HB       LYS  62   2.914  -4.742   4.017
  486   2HB   LYS  62          2HB       LYS  62   1.737  -3.461   4.306
  487   1HG   LYS  62          1HG       LYS  62   0.424  -5.060   6.029
  488   2HG   LYS  62          2HG       LYS  62   1.732  -6.251   5.820
  489   1HD   LYS  62          1HD       LYS  62   1.979  -3.327   6.597
  490   2HD   LYS  62          2HD       LYS  62   1.945  -4.581   7.886
  491   1HE   LYS  62          1HE       LYS  62   4.333  -3.774   6.179
  492   2HE   LYS  62          2HE       LYS  62   4.208  -4.064   7.887
  493   1HZ   LYS  62          1HZ       LYS  62   4.099  -6.358   5.989
  494   2HZ   LYS  62          2HZ       LYS  62   3.939  -6.411   7.548
  495    H    VAL  63           H        VAL  63   1.884  -5.918   1.043
  496    HA   VAL  63           HA       VAL  63   1.102  -8.736   1.279
  497    HB   VAL  63           HB       VAL  63   1.914  -6.982  -1.162
  498   1HG1  VAL  63          1HG1      VAL  63   2.079 -10.054  -0.923
  499   2HG1  VAL  63          2HG1      VAL  63   1.260  -9.280  -2.485
  500   3HG1  VAL  63          3HG1      VAL  63   2.895  -8.901  -2.009
  501   1HG2  VAL  63          1HG2      VAL  63  -0.501  -8.795  -0.615
  502   2HG2  VAL  63          2HG2      VAL  63  -0.521  -7.023  -0.201
  503   3HG2  VAL  63          3HG2      VAL  63  -0.313  -7.528  -1.870
  504    H    ASP  64           H        ASP  64   2.418 -10.164   1.893
  505    HA   ASP  64           HA       ASP  64   5.353  -9.876   2.104
  506   1HB   ASP  64          1HB       ASP  64   4.158 -11.464   3.695
  507   2HB   ASP  64          2HB       ASP  64   3.399 -12.273   2.289
  508    HD2  ASP  64           HD       ASP  64   6.979 -13.341   3.698
  509    H    VAL  65           H        VAL  65   6.012  -9.468   0.001
  510    HA   VAL  65           HA       VAL  65   5.033 -10.519  -2.393
  511    HB   VAL  65           HB       VAL  65   6.713  -8.654  -1.886
  512   1HG1  VAL  65          1HG1      VAL  65   8.582 -10.135  -1.094
  513   2HG1  VAL  65          2HG1      VAL  65   8.709 -10.934  -2.597
  514   3HG1  VAL  65          3HG1      VAL  65   9.177  -9.158  -2.503
  515   1HG2  VAL  65          1HG2      VAL  65   7.085 -10.062  -4.705
  516   2HG2  VAL  65          2HG2      VAL  65   5.616  -9.098  -4.198
  517   3HG2  VAL  65          3HG2      VAL  65   7.334  -8.448  -4.281
  518    H    ASP  66           H        ASP  66   7.016 -12.442  -0.483
  519    HA   ASP  66           HA       ASP  66   7.862 -14.303  -2.498
  520   1HB   ASP  66          1HB       ASP  66   7.893 -14.581   0.589
  521   2HB   ASP  66          2HB       ASP  66   8.288 -15.990  -0.391
  522    HD2  ASP  66           HD       ASP  66  11.468 -14.803  -1.046
  523    H    GLU  67           H        GLU  67   5.157 -14.756  -0.049
  524    HA   GLU  67           HA       GLU  67   3.614 -16.612  -1.454
  525   1HB   GLU  67          1HB       GLU  67   2.916 -14.293   0.462
  526   2HB   GLU  67          2HB       GLU  67   1.646 -15.271  -0.244
  527   1HG   GLU  67          1HG       GLU  67   2.928 -17.458   0.585
  528   2HG   GLU  67          2HG       GLU  67   3.917 -16.398   1.435
  529    HE2  GLU  67           HE       GLU  67   0.380 -17.232   2.860
  530    H    LEU  68           H        LEU  68   4.075 -13.270  -2.874
  531    HA   LEU  68           HA       LEU  68   1.980 -13.847  -4.776
  532   1HB   LEU  68          1HB       LEU  68   1.566 -11.459  -2.910
  533   2HB   LEU  68          2HB       LEU  68   0.466 -11.609  -4.261
  534    HG   LEU  68           HG       LEU  68   0.652 -13.528  -1.893
  535   1HD1  LEU  68          1HD1      LEU  68  -1.515 -12.455  -1.121
  536   2HD1  LEU  68          2HD1      LEU  68  -0.141 -11.319  -1.038
  537   3HD1  LEU  68          3HD1      LEU  68  -1.252 -11.165  -2.447
  538   1HD2  LEU  68          1HD2      LEU  68  -1.798 -13.245  -3.841
  539   2HD2  LEU  68          2HD2      LEU  68  -0.342 -14.184  -4.271
  540   3HD2  LEU  68          3HD2      LEU  68  -1.270 -14.763  -2.942
  541    H    LYS  69           H        LYS  69   4.103 -13.672  -5.385
  542    HA   LYS  69           HA       LYS  69   5.410 -11.248  -6.387
  543   1HB   LYS  69          1HB       LYS  69   6.814 -12.643  -7.814
  544   2HB   LYS  69          2HB       LYS  69   7.138 -12.744  -6.127
  545   1HG   LYS  69          1HG       LYS  69   5.756 -14.763  -5.977
  546   2HG   LYS  69          2HG       LYS  69   5.377 -14.655  -7.721
  547   1HD   LYS  69          1HD       LYS  69   7.039 -16.077  -7.715
  548   2HD   LYS  69          2HD       LYS  69   8.069 -14.695  -8.100
  549   1HE   LYS  69          1HE       LYS  69   8.753 -14.751  -5.541
  550   2HE   LYS  69          2HE       LYS  69   7.790 -16.247  -5.450
  551   1HZ   LYS  69          1HZ       LYS  69  10.173 -15.651  -6.916
  552   2HZ   LYS  69          2HZ       LYS  69  10.001 -16.784  -5.736
  553    H    ALA  70           H        ALA  70   3.336 -13.614  -8.128
  554    HA   ALA  70           HA       ALA  70   3.790 -12.541 -10.737
  555   1HB   ALA  70          1HB       ALA  70   2.005 -14.020 -11.429
  556   2HB   ALA  70          2HB       ALA  70   3.108 -14.839 -10.589
  557   3HB   ALA  70          3HB       ALA  70   1.638 -14.401  -9.662
  558    H    VAL  71           H        VAL  71   0.930 -12.112  -8.541
  559    HA   VAL  71           HA       VAL  71  -0.289 -10.096 -10.134
  560    HB   VAL  71           HB       VAL  71  -1.593 -11.331  -8.478
  561   1HG1  VAL  71          1HG1      VAL  71  -1.369 -11.364  -6.248
  562   2HG1  VAL  71          2HG1      VAL  71   0.234 -11.677  -6.709
  563   3HG1  VAL  71          3HG1      VAL  71  -0.008 -10.064  -6.062
  564   1HG2  VAL  71          1HG2      VAL  71  -2.858  -9.756  -7.483
  565   2HG2  VAL  71          2HG2      VAL  71  -1.629  -8.431  -7.378
  566   3HG2  VAL  71          3HG2      VAL  71  -2.298  -9.113  -8.929
  567    H    ALA  72           H        ALA  72   1.818  -9.834  -7.250
  568    HA   ALA  72           HA       ALA  72   2.230  -7.011  -7.056
  569   1HB   ALA  72          1HB       ALA  72   4.562  -9.013  -6.766
  570   2HB   ALA  72          2HB       ALA  72   4.612  -7.433  -6.202
  571   3HB   ALA  72          3HB       ALA  72   3.383  -8.474  -5.453
  572    H    GLU  73           H        GLU  73   3.897  -9.073  -9.189
  573    HA   GLU  73           HA       GLU  73   5.503  -7.087 -10.539
  574   1HB   GLU  73          1HB       GLU  73   4.737  -9.911 -11.404
  575   2HB   GLU  73          2HB       GLU  73   5.847  -8.825 -12.311
  576   1HG   GLU  73          1HG       GLU  73   7.556  -8.991 -10.677
  577   2HG   GLU  73          2HG       GLU  73   6.495  -9.643  -9.485
  578    HE2  GLU  73           HE       GLU  73   8.087  -9.796 -12.281
  579    H    GLU  74           H        GLU  74   2.163  -8.506 -11.218
  580    HA   GLU  74           HA       GLU  74   1.879  -7.223 -13.717
  581   1HB   GLU  74          1HB       GLU  74   0.148  -8.329 -14.134
  582   2HB   GLU  74          2HB       GLU  74   0.758  -9.385 -12.992
  583   1HG   GLU  74          1HG       GLU  74  -1.328  -9.315 -11.973
  584   2HG   GLU  74          2HG       GLU  74  -1.157  -7.594 -11.438
  585    HE2  GLU  74           HE       GLU  74  -1.970  -9.290 -14.263
  586    H    TRP  75           H        TRP  75   0.899  -6.020 -10.528
  587    HA   TRP  75           HA       TRP  75  -0.358  -3.673 -11.575
  588   1HB   TRP  75          1HB       TRP  75   1.179  -3.684  -8.791
  589   2HB   TRP  75          2HB       TRP  75  -0.058  -2.378  -9.453
  590    HD1  TRP  75           HD       TRP  75   0.536  -5.416  -7.327
  591    HE1  TRP  75           1HE      TRP  75  -1.217  -7.039  -7.147
  592    HE3  TRP  75           3HE      TRP  75  -2.734  -3.230 -10.566
  593    HZ2  TRP  75           2HZ      TRP  75  -4.120  -7.066  -7.604
  594    HZ3  TRP  75           3HZ      TRP  75  -4.978  -4.254 -10.852
  595    HH2  TRP  75           HH       TRP  75  -5.499  -6.217  -9.750
  596    H    ASN  76           H        ASN  76   2.749  -4.379 -10.471
  597    HA   ASN  76           HA       ASN  76   4.338  -4.059 -12.343
  598   1HB   ASN  76          1HB       ASN  76   3.283  -2.062 -13.336
  599   2HB   ASN  76          2HB       ASN  76   3.883  -1.151 -12.054
  600   1HD2  ASN  76          1HD2      ASN  76   5.485  -3.476 -14.175
  601   2HD2  ASN  76          2HD2      ASN  76   6.889  -2.377 -14.723
  602    H    VAL  77           H        VAL  77   5.051  -5.056 -10.512
  603    HA   VAL  77           HA       VAL  77   7.110  -3.598  -8.742
  604    HB   VAL  77           HB       VAL  77   5.610  -6.096  -7.888
  605   1HG1  VAL  77          1HG1      VAL  77   7.628  -4.539  -6.156
  606   2HG1  VAL  77          2HG1      VAL  77   6.478  -5.874  -5.620
  607   3HG1  VAL  77          3HG1      VAL  77   7.841  -6.158  -6.642
  608   1HG2  VAL  77          1HG2      VAL  77   4.446  -4.648  -6.190
  609   2HG2  VAL  77          2HG2      VAL  77   5.179  -3.346  -6.940
  610   3HG2  VAL  77          3HG2      VAL  77   4.236  -4.386  -7.958
  611    H    GLU  78           H        GLU  78   8.513  -3.970 -10.333
  612    HA   GLU  78           HA       GLU  78  10.042  -6.590 -10.724
  613   1HB   GLU  78          1HB       GLU  78  11.681  -5.751 -11.983
  614   2HB   GLU  78          2HB       GLU  78  10.083  -5.029 -12.637
  615   1HG   GLU  78          1HG       GLU  78  10.575  -3.036 -11.109
  616   2HG   GLU  78          2HG       GLU  78  12.228  -3.468 -10.806
  617    HE2  GLU  78           HE       GLU  78  13.616  -2.890 -12.223
  618    H    ALA  79           H        ALA  79   9.913  -4.422  -8.177
  619    HA   ALA  79           HA       ALA  79  12.537  -5.191  -7.044
  620   1HB   ALA  79          1HB       ALA  79  11.907  -2.263  -7.923
  621   2HB   ALA  79          2HB       ALA  79  13.261  -2.961  -6.810
  622   3HB   ALA  79          3HB       ALA  79  12.965  -3.304  -8.596
  623    H    MET  80           H        MET  80  12.677  -5.256  -5.125
  624    HA   MET  80           HA       MET  80  10.779  -4.343  -3.288
  625   1HB   MET  80          1HB       MET  80  13.373  -5.115  -1.857
  626   2HB   MET  80          2HB       MET  80  11.796  -5.137  -1.479
  627   1HG   MET  80          1HG       MET  80  12.054  -7.356  -3.733
  628   2HG   MET  80          2HG       MET  80  12.666  -7.437  -2.149
  629   1HE   MET  80          1HE       MET  80   8.966  -7.126  -4.171
  630   2HE   MET  80          2HE       MET  80   7.960  -6.756  -2.688
  631   3HE   MET  80          3HE       MET  80   8.873  -5.458  -3.566
  632    HA   PRO  81           HA       PRO  81   9.571  -2.847  -3.344
  633   1HB   PRO  81          1HB       PRO  81   8.951  -2.316  -0.546
  634   2HB   PRO  81          2HB       PRO  81  10.135  -3.698  -0.927
  635   1HG   PRO  81          1HG       PRO  81  10.709  -1.171   0.338
  636   2HG   PRO  81          2HG       PRO  81  11.865  -2.619   0.006
  637   1HD   PRO  81          1HD       PRO  81  11.688  -0.060  -1.412
  638   2HD   PRO  81          2HD       PRO  81  13.001  -1.008  -1.473
  639    H    THR  82           H        THR  82   7.882  -2.250  -3.226
  640    HA   THR  82           HA       THR  82   7.265   0.410  -4.476
  641    HB   THR  82           HB       THR  82   6.473  -2.477  -5.271
  642    HG1  THR  82           1HG      THR  82   8.259  -2.421  -5.944
  643   1HG2  THR  82          1HG2      THR  82   5.917   0.426  -6.707
  644   2HG2  THR  82          2HG2      THR  82   5.834  -1.036  -7.517
  645   3HG2  THR  82          3HG2      THR  82   4.812  -0.612  -6.111
  646    H    PHE  83           H        PHE  83   5.579   1.423  -4.330
  647    HA   PHE  83           HA       PHE  83   3.258   0.881  -2.566
  648   1HB   PHE  83          1HB       PHE  83   4.512   3.507  -2.649
  649   2HB   PHE  83          2HB       PHE  83   3.076   3.050  -1.739
  650    HD1  PHE  83           1HD      PHE  83   6.910   2.807  -2.079
  651    HD2  PHE  83           2HD      PHE  83   3.454   1.900   0.406
  652    HE1  PHE  83           1HE      PHE  83   8.419   2.654  -0.055
  653    HE2  PHE  83           2HE      PHE  83   5.178   1.196   2.327
  654    HZ   PHE  83           HZ       PHE  83   7.553   1.624   1.972
  655    H    ILE  84           H        ILE  84   1.771   0.590  -3.606
  656    HA   ILE  84           HA       ILE  84   1.149   1.901  -6.230
  657    HB   ILE  84           HB       ILE  84   1.037  -0.948  -5.011
  658   1HG1  ILE  84          1HG1      ILE  84   1.580  -0.484  -8.117
  659   2HG1  ILE  84          2HG1      ILE  84   2.580   0.305  -6.980
  660   1HG2  ILE  84          1HG2      ILE  84  -0.638  -0.488  -7.564
  661   2HG2  ILE  84          2HG2      ILE  84  -0.537  -2.063  -6.688
  662   3HG2  ILE  84          3HG2      ILE  84  -1.402  -0.582  -5.957
  663   1HD1  ILE  84          1HD1      ILE  84   3.346  -1.851  -7.813
  664   2HD1  ILE  84          2HD1      ILE  84   3.207  -1.829  -6.040
  665   3HD1  ILE  84          3HD1      ILE  84   2.012  -2.752  -7.104
  666    H    PHE  85           H        PHE  85  -0.880   2.506  -6.701
  667    HA   PHE  85           HA       PHE  85  -2.230   3.696  -4.345
  668   1HB   PHE  85          1HB       PHE  85  -0.983   5.238  -6.531
  669   2HB   PHE  85          2HB       PHE  85  -2.254   5.943  -5.472
  670    HD1  PHE  85           1HD      PHE  85   1.176   4.509  -5.080
  671    HD2  PHE  85           2HD      PHE  85  -2.052   6.781  -3.344
  672    HE1  PHE  85           1HE      PHE  85   2.710   5.358  -3.314
  673    HE2  PHE  85           2HE      PHE  85  -0.604   7.500  -1.457
  674    HZ   PHE  85           HZ       PHE  85   1.923   6.905  -1.573
  675    H    LEU  86           H        LEU  86  -4.198   2.941  -4.624
  676    HA   LEU  86           HA       LEU  86  -5.542   2.733  -7.308
  677   1HB   LEU  86          1HB       LEU  86  -4.231   0.697  -6.230
  678   2HB   LEU  86          2HB       LEU  86  -5.397   0.878  -5.026
  679    HG   LEU  86           HG       LEU  86  -6.107  -1.041  -6.004
  680   1HD1  LEU  86          1HD1      LEU  86  -8.287  -0.588  -7.191
  681   2HD1  LEU  86          2HD1      LEU  86  -8.230   0.561  -5.851
  682   3HD1  LEU  86          3HD1      LEU  86  -7.778   1.109  -7.535
  683   1HD2  LEU  86          1HD2      LEU  86  -5.807   0.212  -8.780
  684   2HD2  LEU  86          2HD2      LEU  86  -4.802  -1.006  -8.133
  685   3HD2  LEU  86          3HD2      LEU  86  -6.322  -1.481  -8.469
  686    H    LYS  87           H        LYS  87  -7.246   3.856  -7.132
  687    HA   LYS  87           HA       LYS  87  -9.017   4.385  -4.713
  688   1HB   LYS  87          1HB       LYS  87  -7.438   6.237  -5.938
  689   2HB   LYS  87          2HB       LYS  87  -8.534   6.029  -7.330
  690   1HG   LYS  87          1HG       LYS  87 -10.434   7.072  -5.730
  691   2HG   LYS  87          2HG       LYS  87  -9.257   7.050  -4.484
  692   1HD   LYS  87          1HD       LYS  87  -7.847   8.539  -6.466
  693   2HD   LYS  87          2HD       LYS  87  -9.401   8.530  -7.258
  694   1HE   LYS  87          1HE       LYS  87  -9.121  10.677  -6.006
  695   2HE   LYS  87          2HE       LYS  87 -10.454   9.745  -5.432
  696   1HZ   LYS  87          1HZ       LYS  87  -9.111   8.999  -3.536
  697   2HZ   LYS  87          2HZ       LYS  87  -7.766   9.650  -4.143
  698    H    ASP  88           H        ASP  88 -11.164   5.049  -5.089
  699    HA   ASP  88           HA       ASP  88 -12.901   3.797  -6.963
  700   1HB   ASP  88          1HB       ASP  88 -14.412   5.692  -6.730
  701   2HB   ASP  88          2HB       ASP  88 -13.757   5.140  -5.194
  702    HD2  ASP  88           HD       ASP  88 -12.102   8.006  -4.442
  703    H    GLY  89           H        GLY  89 -10.697   4.059  -8.708
  704   1HA   GLY  89          1HA       GLY  89 -11.971   5.059 -11.163
  705   2HA   GLY  89          2HA       GLY  89 -10.579   6.103 -10.543
  706    H    LYS  90           H        LYS  90 -10.360   2.569  -9.938
  707    HA   LYS  90           HA       LYS  90  -8.802   1.149 -10.402
  708   1HB   LYS  90          1HB       LYS  90  -9.755   1.410 -12.923
  709   2HB   LYS  90          2HB       LYS  90  -8.233   2.048 -13.321
  710   1HG   LYS  90          1HG       LYS  90  -7.038  -0.205 -12.636
  711   2HG   LYS  90          2HG       LYS  90  -8.532  -0.782 -11.856
  712   1HD   LYS  90          1HD       LYS  90  -8.208  -0.315 -14.839
  713   2HD   LYS  90          2HD       LYS  90  -8.004  -1.759 -14.058
  714   1HE   LYS  90          1HE       LYS  90 -10.138  -2.114 -13.431
  715   2HE   LYS  90          2HE       LYS  90 -10.789  -0.427 -13.707
  716   1HZ   LYS  90          1HZ       LYS  90  -9.770  -1.407 -16.172
  717   2HZ   LYS  90          2HZ       LYS  90 -11.326  -1.010 -15.766
  718    H    LEU  91           H        LEU  91  -6.423   1.062 -11.609
  719    HA   LEU  91           HA       LEU  91  -4.598   1.968  -9.632
  720   1HB   LEU  91          1HB       LEU  91  -4.115   0.028 -10.901
  721   2HB   LEU  91          2HB       LEU  91  -4.182   0.750 -12.424
  722    HG   LEU  91           HG       LEU  91  -2.018   2.020 -11.894
  723   1HD1  LEU  91          1HD1      LEU  91  -0.597   1.539  -9.885
  724   2HD1  LEU  91          2HD1      LEU  91  -2.175   1.942  -9.263
  725   3HD1  LEU  91          3HD1      LEU  91  -1.744   0.286  -9.378
  726   1HD2  LEU  91          1HD2      LEU  91  -0.486   0.164 -12.083
  727   2HD2  LEU  91          2HD2      LEU  91  -1.674  -1.062 -11.544
  728   3HD2  LEU  91          3HD2      LEU  91  -1.908  -0.157 -13.052
  729    H    VAL  92           H        VAL  92  -4.487   3.974  -9.199
  730    HA   VAL  92           HA       VAL  92  -4.164   6.153 -11.155
  731    HB   VAL  92           HB       VAL  92  -4.190   7.850  -9.419
  732   1HG1  VAL  92          1HG1      VAL  92  -6.548   7.579  -8.686
  733   2HG1  VAL  92          2HG1      VAL  92  -6.308   7.025 -10.312
  734   3HG1  VAL  92          3HG1      VAL  92  -6.380   5.833  -9.106
  735   1HG2  VAL  92          1HG2      VAL  92  -4.735   5.923  -7.198
  736   2HG2  VAL  92          2HG2      VAL  92  -3.210   6.563  -7.290
  737   3HG2  VAL  92          3HG2      VAL  92  -4.469   7.716  -7.049
  738    H    ASP  93           H        ASP  93  -1.806   4.650  -8.878
  739    HA   ASP  93           HA       ASP  93   0.349   5.984 -10.451
  740   1HB   ASP  93          1HB       ASP  93  -0.239   7.857  -8.912
  741   2HB   ASP  93          2HB       ASP  93  -0.095   6.863  -7.448
  742    HD2  ASP  93           HD       ASP  93   1.646   7.225  -6.444
  743    H    LYS  94           H        LYS  94   2.714   5.671  -9.170
  744    HA   LYS  94           HA       LYS  94   3.032   3.323  -7.578
  745   1HB   LYS  94          1HB       LYS  94   4.393   2.050  -9.449
  746   2HB   LYS  94          2HB       LYS  94   2.727   2.040  -9.724
  747   1HG   LYS  94          1HG       LYS  94   4.919   3.983 -11.055
  748   2HG   LYS  94          2HG       LYS  94   4.375   2.419 -11.678
  749   1HD   LYS  94          1HD       LYS  94   2.517   4.709 -11.466
  750   2HD   LYS  94          2HD       LYS  94   3.308   4.373 -12.959
  751   1HE   LYS  94          1HE       LYS  94   2.389   1.949 -12.831
  752   2HE   LYS  94          2HE       LYS  94   1.248   2.498 -11.652
  753   1HZ   LYS  94          1HZ       LYS  94   1.545   3.460 -14.571
  754   2HZ   LYS  94          2HZ       LYS  94   0.895   4.391 -13.285
  755    H    THR  95           H        THR  95   5.017   3.286  -6.703
  756    HA   THR  95           HA       THR  95   7.275   4.738  -7.754
  757    HB   THR  95           HB       THR  95   5.901   5.927  -5.444
  758    HG1  THR  95           1HG      THR  95   7.431   7.081  -7.772
  759   1HG2  THR  95          1HG2      THR  95   8.142   5.852  -4.453
  760   2HG2  THR  95          2HG2      THR  95   8.823   6.637  -5.952
  761   3HG2  THR  95          3HG2      THR  95   7.877   7.461  -4.872
  762    H    VAL  96           H        VAL  96   9.143   3.948  -6.680
  763    HA   VAL  96           HA       VAL  96   8.779   1.888  -4.515
  764    HB   VAL  96           HB       VAL  96   8.739   0.713  -6.588
  765   1HG1  VAL  96          1HG1      VAL  96  10.722   1.298  -8.713
  766   2HG1  VAL  96          2HG1      VAL  96   9.099   1.889  -8.575
  767   3HG1  VAL  96          3HG1      VAL  96  10.579   2.834  -7.898
  768   1HG2  VAL  96          1HG2      VAL  96  11.875   0.427  -6.208
  769   2HG2  VAL  96          2HG2      VAL  96  10.608  -0.239  -5.130
  770   3HG2  VAL  96          3HG2      VAL  96  10.633  -0.786  -6.846
  771    H    GLY  97           H        GLY  97   9.852   2.349  -3.031
  772   1HA   GLY  97          1HA       GLY  97  12.384   2.708  -2.393
  773   2HA   GLY  97          2HA       GLY  97  12.028   4.503  -2.778
  774    H    ALA  98           H        ALA  98  11.738   2.049  -0.342
  775    HA   ALA  98           HA       ALA  98  10.124   3.462   1.694
  776   1HB   ALA  98          1HB       ALA  98  10.794   1.043   1.713
  777   2HB   ALA  98          2HB       ALA  98  12.419   1.452   1.826
  778   3HB   ALA  98          3HB       ALA  98  11.449   1.738   3.240
  779    H    ASP  99           H        ASP  99  10.524   5.248   2.793
  780    HA   ASP  99           HA       ASP  99  13.058   6.154   3.818
  781   1HB   ASP  99          1HB       ASP  99  13.128   6.950   1.263
  782   2HB   ASP  99          2HB       ASP  99  11.781   7.912   1.660
  783    HD2  ASP  99           HD       ASP  99  15.412   9.109   2.463
  784    H    LYS 100           H        LYS 100  12.255   6.707   5.696
  785    HA   LYS 100           HA       LYS 100   9.917   7.031   6.564
  786   1HB   LYS 100          1HB       LYS 100  10.433   8.454   8.554
  787   2HB   LYS 100          2HB       LYS 100  11.646   7.047   8.142
  788   1HG   LYS 100          1HG       LYS 100  13.356   8.621   7.426
  789   2HG   LYS 100          2HG       LYS 100  12.414  10.080   7.512
  790   1HD   LYS 100          1HD       LYS 100  12.010   9.631  10.112
  791   2HD   LYS 100          2HD       LYS 100  13.274   8.405  10.019
  792   1HE   LYS 100          1HE       LYS 100  14.875  10.206   9.071
  793   2HE   LYS 100          2HE       LYS 100  13.572  11.447   9.329
  794   1HZ   LYS 100          1HZ       LYS 100  14.969   9.926  11.444
  795   2HZ   LYS 100          2HZ       LYS 100  14.910  11.423  11.254
  796    H    ASP 101           H        ASP 101  11.355   9.977   5.561
  797    HA   ASP 101           HA       ASP 101   9.022  11.686   5.776
  798   1HB   ASP 101          1HB       ASP 101  10.164  13.562   4.800
  799   2HB   ASP 101          2HB       ASP 101  10.825  12.837   6.337
  800    HD2  ASP 101           HD       ASP 101  12.961  12.848   2.864
  801    H    GLY 102           H        GLY 102  10.584  10.208   3.017
  802   1HA   GLY 102          1HA       GLY 102   9.332  11.596   0.826
  803   2HA   GLY 102          2HA       GLY 102   9.980  10.065   0.742
  804    H    LEU 103           H        LEU 103   8.326   8.483   2.381
  805    HA   LEU 103           HA       LEU 103   6.006   8.016   0.767
  806   1HB   LEU 103          1HB       LEU 103   7.399   6.265   2.029
  807   2HB   LEU 103          2HB       LEU 103   6.940   7.128   3.488
  808    HG   LEU 103           HG       LEU 103   4.519   6.553   3.070
  809   1HD1  LEU 103          1HD1      LEU 103   3.965   4.752   1.523
  810   2HD1  LEU 103          2HD1      LEU 103   4.554   6.208   0.614
  811   3HD1  LEU 103          3HD1      LEU 103   5.703   4.794   0.901
  812   1HD2  LEU 103          1HD2      LEU 103   6.109   5.289   4.587
  813   2HD2  LEU 103          2HD2      LEU 103   4.665   4.256   4.003
  814   3HD2  LEU 103          3HD2      LEU 103   6.193   4.069   3.242
  815    HA   PRO 104           HA       PRO 104   3.259  10.547   4.058
  816   1HB   PRO 104          1HB       PRO 104   5.654  12.107   5.010
  817   2HB   PRO 104          2HB       PRO 104   4.126  11.896   5.929
  818   1HG   PRO 104          1HG       PRO 104   6.230  10.450   6.453
  819   2HG   PRO 104          2HG       PRO 104   4.687   9.654   6.438
  820   1HD   PRO 104          1HD       PRO 104   7.007   9.472   4.449
  821   2HD   PRO 104          2HD       PRO 104   5.828   8.270   4.995
  822    H    THR 105           H        THR 105   6.025  12.068   2.517
  823    HA   THR 105           HA       THR 105   4.549  14.366   1.349
  824    HB   THR 105           HB       THR 105   7.281  13.183   0.535
  825    HG1  THR 105           1HG      THR 105   6.828  14.266   2.655
  826   1HG2  THR 105          1HG2      THR 105   7.669  15.496  -0.505
  827   2HG2  THR 105          2HG2      THR 105   6.516  14.412  -1.485
  828   3HG2  THR 105          3HG2      THR 105   6.011  15.789  -0.320
  829    H    LEU 106           H        LEU 106   5.483  11.217  -0.273
  830    HA   LEU 106           HA       LEU 106   3.899  11.422  -2.692
  831   1HB   LEU 106          1HB       LEU 106   5.841   9.844  -2.044
  832   2HB   LEU 106          2HB       LEU 106   4.588   8.935  -1.021
  833    HG   LEU 106           HG       LEU 106   3.158   8.313  -2.803
  834   1HD1  LEU 106          1HD1      LEU 106   3.648   8.617  -5.190
  835   2HD1  LEU 106          2HD1      LEU 106   3.865  10.165  -4.646
  836   3HD1  LEU 106          3HD1      LEU 106   5.393   9.266  -4.746
  837   1HD2  LEU 106          1HD2      LEU 106   4.560   6.673  -3.863
  838   2HD2  LEU 106          2HD2      LEU 106   5.947   7.533  -3.133
  839   3HD2  LEU 106          3HD2      LEU 106   4.661   6.690  -2.106
  840    H    VAL 107           H        VAL 107   2.800   9.998   0.219
  841    HA   VAL 107           HA       VAL 107  -0.054   9.505  -0.633
  842    HB   VAL 107           HB       VAL 107   1.269   9.572   2.110
  843   1HG1  VAL 107          1HG1      VAL 107  -1.035  10.159   2.573
  844   2HG1  VAL 107          2HG1      VAL 107  -1.616   8.889   1.437
  845   3HG1  VAL 107          3HG1      VAL 107  -0.852   8.382   2.913
  846   1HG2  VAL 107          1HG2      VAL 107   1.190   7.504   2.135
  847   2HG2  VAL 107          2HG2      VAL 107   0.116   7.193   0.654
  848   3HG2  VAL 107          3HG2      VAL 107   1.946   7.695   0.676
  849    H    ALA 108           H        ALA 108   1.178  12.306   1.373
  850    HA   ALA 108           HA       ALA 108  -1.194  13.784   1.553
  851   1HB   ALA 108          1HB       ALA 108   0.560  15.801   1.588
  852   2HB   ALA 108          2HB       ALA 108   0.735  14.441   2.809
  853   3HB   ALA 108          3HB       ALA 108   1.847  14.631   1.442
  854    H    LYS 109           H        LYS 109   1.181  13.974  -1.031
  855    HA   LYS 109           HA       LYS 109  -0.267  15.648  -3.058
  856   1HB   LYS 109          1HB       LYS 109   1.751  13.293  -3.487
  857   2HB   LYS 109          2HB       LYS 109   1.168  14.356  -4.722
  858   1HG   LYS 109          1HG       LYS 109   2.342  16.216  -4.100
  859   2HG   LYS 109          2HG       LYS 109   2.701  15.632  -2.425
  860   1HD   LYS 109          1HD       LYS 109   4.053  13.774  -3.343
  861   2HD   LYS 109          2HD       LYS 109   3.686  14.277  -4.953
  862   1HE   LYS 109          1HE       LYS 109   4.725  16.542  -4.773
  863   2HE   LYS 109          2HE       LYS 109   5.033  16.333  -3.004
  864   1HZ   LYS 109          1HZ       LYS 109   6.466  14.299  -3.788
  865   2HZ   LYS 109          2HZ       LYS 109   6.164  14.784  -5.253
  866    H    HIS 110           H        HIS 110  -0.474  12.028  -2.447
  867    HA   HIS 110           HA       HIS 110  -2.288  11.767  -4.514
  868   1HB   HIS 110          1HB       HIS 110  -1.056   9.849  -2.743
  869   2HB   HIS 110          2HB       HIS 110  -2.621   9.323  -3.153
  870    HD1  HIS 110           1HD      HIS 110  -3.141   9.392  -5.923
  871    HD2  HIS 110           2HD      HIS 110   0.709  10.279  -4.709
  872    HE1  HIS 110           1HE      HIS 110  -1.708   9.537  -7.884
  873    H    ALA 111           H        ALA 111  -2.876  11.553  -1.230
  874    HA   ALA 111           HA       ALA 111  -5.753  11.476  -1.176
  875   1HB   ALA 111          1HB       ALA 111  -5.607  11.927   1.100
  876   2HB   ALA 111          2HB       ALA 111  -3.994  10.958   0.768
  877   3HB   ALA 111          3HB       ALA 111  -3.954  12.731   1.001
  878    H    THR 112           H        THR 112  -3.731  14.179  -1.460
  879    HA   THR 112           HA       THR 112  -5.814  16.255  -1.273
  880    HB   THR 112           HB       THR 112  -2.991  16.529  -2.633
  881    HG1  THR 112           1HG      THR 112  -2.658  16.082  -0.528
  882   1HG2  THR 112          1HG2      THR 112  -4.475  18.529  -3.281
  883   2HG2  THR 112          2HG2      THR 112  -4.691  18.883  -1.649
  884   3HG2  THR 112          3HG2      THR 112  -2.993  18.837  -2.423
  885    H    ALA 113           H        ALA 113  -4.336  14.727  -4.027
  886    HA   ALA 113           HA       ALA 113  -6.136  15.739  -6.141
  887   1HB   ALA 113          1HB       ALA 113  -4.013  13.493  -6.151
  888   2HB   ALA 113          2HB       ALA 113  -4.975  13.970  -7.563
  889   3HB   ALA 113          3HB       ALA 113  -3.914  15.123  -6.751
  890    HXT  ALA 113           HO       ALA 113  -8.894  13.803  -5.867
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1 -12.466  11.684  15.226
    2   2H    ALA   1          2H        ALA   1 -13.649  10.706  15.748
    3    HA   ALA   1           HA       ALA   1 -10.707  10.262  16.023
    4   1HB   ALA   1          1HB       ALA   1 -11.151   8.459  17.529
    5   2HB   ALA   1          2HB       ALA   1 -11.735   9.916  18.149
    6   3HB   ALA   1          3HB       ALA   1 -12.882   8.712  17.445
    7    H    GLU   2           H        GLU   2 -10.457   9.828  14.024
    8    HA   GLU   2           HA       GLU   2 -11.705   7.525  12.581
    9   1HB   GLU   2          1HB       GLU   2 -12.942   9.979  12.202
   10   2HB   GLU   2          2HB       GLU   2 -11.582  10.323  11.192
   11   1HG   GLU   2          1HG       GLU   2 -12.037   8.075   9.874
   12   2HG   GLU   2          2HG       GLU   2 -13.410   7.903  11.006
   13    HE2  GLU   2           HE       GLU   2 -15.669   9.518   9.208
   14    H    GLU   3           H        GLU   3 -10.206   6.504  11.540
   15    HA   GLU   3           HA       GLU   3  -7.688   7.800  10.367
   16   1HB   GLU   3          1HB       GLU   3  -6.157   6.543  11.774
   17   2HB   GLU   3          2HB       GLU   3  -7.204   7.448  12.735
   18   1HG   GLU   3          1HG       GLU   3  -8.464   5.432  13.347
   19   2HG   GLU   3          2HG       GLU   3  -7.837   4.425  12.188
   20    HE2  GLU   3           HE       GLU   3  -4.896   3.650  13.993
   21    H    GLY   4           H        GLY   4  -6.336   6.418   9.589
   22   1HA   GLY   4          1HA       GLY   4  -7.253   4.495   7.443
   23   2HA   GLY   4          2HA       GLY   4  -5.559   5.059   7.685
   24    H    GLN   5           H        GLN   5  -6.005   2.418   7.331
   25    HA   GLN   5           HA       GLN   5  -5.649   1.021  10.021
   26   1HB   GLN   5          1HB       GLN   5  -7.536  -0.384   9.724
   27   2HB   GLN   5          2HB       GLN   5  -8.082   1.335   9.572
   28   1HG   GLN   5          1HG       GLN   5  -7.687   0.682   6.830
   29   2HG   GLN   5          2HG       GLN   5  -7.870  -0.934   7.381
   30   1HE2  GLN   5          1HE2      GLN   5  -9.405   2.291   7.200
   31   2HE2  GLN   5          2HE2      GLN   5 -11.024   1.543   6.872
   32    H    VAL   6           H        VAL   6  -3.608   0.273   9.494
   33    HA   VAL   6           HA       VAL   6  -2.843  -1.245   7.136
   34    HB   VAL   6           HB       VAL   6  -1.717  -0.923   9.914
   35   1HG1  VAL   6          1HG1      VAL   6   0.545  -1.761   9.019
   36   2HG1  VAL   6          2HG1      VAL   6  -0.669  -2.966   8.737
   37   3HG1  VAL   6          3HG1      VAL   6  -0.229  -2.055   7.396
   38   1HG2  VAL   6          1HG2      VAL   6  -0.728   0.422   7.301
   39   2HG2  VAL   6          2HG2      VAL   6  -1.606   1.355   8.633
   40   3HG2  VAL   6          3HG2      VAL   6  -0.082   0.659   8.943
   41    H    ILE   7           H        ILE   7  -3.235  -3.188   6.660
   42    HA   ILE   7           HA       ILE   7  -4.073  -5.280   8.550
   43    HB   ILE   7           HB       ILE   7  -5.893  -4.167   7.119
   44   1HG1  ILE   7          1HG1      ILE   7  -6.596  -6.082   8.382
   45   2HG1  ILE   7          2HG1      ILE   7  -7.277  -6.062   6.839
   46   1HG2  ILE   7          1HG2      ILE   7  -6.319  -5.237   4.789
   47   2HG2  ILE   7          2HG2      ILE   7  -5.233  -3.787   5.107
   48   3HG2  ILE   7          3HG2      ILE   7  -4.658  -5.493   4.733
   49   1HD1  ILE   7          1HD1      ILE   7  -5.494  -7.879   6.039
   50   2HD1  ILE   7          2HD1      ILE   7  -4.946  -7.747   7.725
   51   3HD1  ILE   7          3HD1      ILE   7  -6.608  -8.375   7.355
   52    H    ALA   8           H        ALA   8  -2.522  -6.747   8.464
   53    HA   ALA   8           HA       ALA   8  -0.457  -7.371   6.447
   54   1HB   ALA   8          1HB       ALA   8  -0.312  -9.519   7.798
   55   2HB   ALA   8          2HB       ALA   8   0.008  -8.061   8.713
   56   3HB   ALA   8          3HB       ALA   8  -1.585  -8.977   8.876
   57    H    CYS   9           H        CYS   9  -0.426  -8.902   4.887
   58    HA   CYS   9           HA       CYS   9  -2.897 -10.080   3.803
   59   1HB   CYS   9          1HB       CYS   9  -1.093  -8.105   2.291
   60   2HB   CYS   9          2HB       CYS   9  -2.308  -9.008   1.571
   61    HG   CYS   9           HG       CYS   9  -4.187  -7.970   3.584
   62    H    HIS  10           H        HIS  10  -2.464 -11.721   2.269
   63    HA   HIS  10           HA       HIS  10   0.179 -12.963   2.169
   64   1HB   HIS  10          1HB       HIS  10  -2.181 -14.224   3.725
   65   2HB   HIS  10          2HB       HIS  10  -0.739 -15.107   3.377
   66    HD1  HIS  10           1HD      HIS  10  -2.228 -13.275   6.188
   67    HD2  HIS  10           2HD      HIS  10   1.744 -13.900   4.479
   68    HE1  HIS  10           1HE      HIS  10  -0.544 -12.495   7.830
   69    H    THR  11           H        THR  11  -3.109 -13.515   1.159
   70    HA   THR  11           HA       THR  11  -2.267 -15.423  -0.941
   71    HB   THR  11           HB       THR  11  -3.924 -17.063  -0.021
   72    HG1  THR  11           1HG      THR  11  -4.807 -16.433   2.209
   73   1HG2  THR  11          1HG2      THR  11  -2.649 -18.095   1.371
   74   2HG2  THR  11          2HG2      THR  11  -1.469 -16.884   1.139
   75   3HG2  THR  11          3HG2      THR  11  -2.633 -16.697   2.598
   76    H    VAL  12           H        VAL  12  -4.745 -16.145  -1.970
   77    HA   VAL  12           HA       VAL  12  -5.959 -13.966  -3.274
   78    HB   VAL  12           HB       VAL  12  -6.191 -16.364  -3.928
   79   1HG1  VAL  12          1HG1      VAL  12  -8.576 -16.523  -1.909
   80   2HG1  VAL  12          2HG1      VAL  12  -7.970 -17.714  -3.042
   81   3HG1  VAL  12          3HG1      VAL  12  -7.051 -17.331  -1.695
   82   1HG2  VAL  12          1HG2      VAL  12  -8.778 -14.836  -3.886
   83   2HG2  VAL  12          2HG2      VAL  12  -7.459 -14.614  -5.061
   84   3HG2  VAL  12          3HG2      VAL  12  -8.387 -16.188  -5.000
   85    H    ASP  13           H        ASP  13  -6.352 -14.451   0.020
   86    HA   ASP  13           HA       ASP  13  -8.954 -13.343   0.478
   87   1HB   ASP  13          1HB       ASP  13  -6.530 -13.704   2.255
   88   2HB   ASP  13          2HB       ASP  13  -7.993 -13.024   2.850
   89    HD2  ASP  13           HD       ASP  13  -9.767 -14.423   1.862
   90    H    THR  14           H        THR  14  -5.734 -12.045   0.405
   91    HA   THR  14           HA       THR  14  -6.507  -9.251   0.605
   92    HB   THR  14           HB       THR  14  -4.194 -10.162   1.062
   93    HG1  THR  14           1HG      THR  14  -3.865  -7.806  -0.107
   94   1HG2  THR  14          1HG2      THR  14  -3.881  -9.126  -1.792
   95   2HG2  THR  14          2HG2      THR  14  -2.595  -9.647  -0.760
   96   3HG2  THR  14          3HG2      THR  14  -3.679 -10.851  -1.451
   97    H    TRP  15           H        TRP  15  -6.327 -11.363  -2.148
   98    HA   TRP  15           HA       TRP  15  -6.804  -9.385  -4.278
   99   1HB   TRP  15          1HB       TRP  15  -7.125 -12.287  -3.979
  100   2HB   TRP  15          2HB       TRP  15  -8.255 -11.647  -5.116
  101    HD1  TRP  15           HD       TRP  15  -4.449 -12.380  -4.595
  102    HE1  TRP  15           1HE      TRP  15  -3.075 -12.250  -6.713
  103    HE3  TRP  15           3HE      TRP  15  -8.240 -10.336  -7.190
  104    HZ2  TRP  15           2HZ      TRP  15  -3.865 -10.981  -9.455
  105    HZ3  TRP  15           3HZ      TRP  15  -8.011  -9.952  -9.607
  106    HH2  TRP  15           HH       TRP  15  -5.836 -10.163 -10.675
  107    H    LYS  16           H        LYS  16  -9.116 -11.127  -2.314
  108    HA   LYS  16           HA       LYS  16 -11.516  -9.427  -3.013
  109   1HB   LYS  16          1HB       LYS  16 -10.841 -11.194  -0.520
  110   2HB   LYS  16          2HB       LYS  16 -12.326 -10.281  -0.629
  111   1HG   LYS  16          1HG       LYS  16 -13.173 -11.277  -2.679
  112   2HG   LYS  16          2HG       LYS  16 -11.664 -12.257  -2.885
  113   1HD   LYS  16          1HD       LYS  16 -13.940 -12.595  -0.685
  114   2HD   LYS  16          2HD       LYS  16 -13.690 -13.450  -2.072
  115   1HE   LYS  16          1HE       LYS  16 -11.533 -14.256  -1.251
  116   2HE   LYS  16          2HE       LYS  16 -11.738 -13.409   0.219
  117   1HZ   LYS  16          1HZ       LYS  16 -12.333 -15.952  -0.189
  118   2HZ   LYS  16          2HZ       LYS  16 -13.294 -15.068   0.869
  119    H    GLU  17           H        GLU  17  -9.207  -9.013  -0.447
  120    HA   GLU  17           HA       GLU  17 -10.500  -6.621   0.694
  121   1HB   GLU  17          1HB       GLU  17  -7.591  -7.480   0.895
  122   2HB   GLU  17          2HB       GLU  17  -8.125  -6.038   1.643
  123   1HG   GLU  17          1HG       GLU  17  -9.526  -7.413   3.234
  124   2HG   GLU  17          2HG       GLU  17  -9.253  -8.899   2.190
  125    HE2  GLU  17           HE       GLU  17  -6.689  -7.548   4.994
  126    H    HIS  18           H        HIS  18  -7.852  -6.696  -1.515
  127    HA   HIS  18           HA       HIS  18  -7.373  -3.968  -1.765
  128   1HB   HIS  18          1HB       HIS  18  -5.537  -5.714  -2.198
  129   2HB   HIS  18          2HB       HIS  18  -6.514  -6.440  -3.411
  130    HD1  HIS  18           1HD      HIS  18  -6.630  -4.698  -5.952
  131    HD2  HIS  18           2HD      HIS  18  -3.789  -3.691  -3.035
  132    HE1  HIS  18           1HE      HIS  18  -4.590  -3.829  -7.047
  133    H    PHE  19           H        PHE  19  -8.768  -6.161  -4.113
  134    HA   PHE  19           HA       PHE  19  -9.627  -4.192  -6.052
  135   1HB   PHE  19          1HB       PHE  19  -9.214  -6.360  -6.795
  136   2HB   PHE  19          2HB       PHE  19 -10.374  -7.065  -5.736
  137    HD1  PHE  19           1HD      PHE  19 -12.584  -7.429  -6.647
  138    HD2  PHE  19           2HD      PHE  19  -9.996  -4.745  -8.867
  139    HE1  PHE  19           1HE      PHE  19 -14.145  -7.590  -8.454
  140    HE2  PHE  19           2HE      PHE  19 -11.659  -4.677 -10.702
  141    HZ   PHE  19           HZ       PHE  19 -13.644  -6.195 -10.557
  142    H    GLU  20           H        GLU  20 -11.617  -5.596  -3.611
  143    HA   GLU  20           HA       GLU  20 -14.132  -4.211  -4.187
  144   1HB   GLU  20          1HB       GLU  20 -13.286  -5.531  -1.524
  145   2HB   GLU  20          2HB       GLU  20 -14.892  -4.929  -1.865
  146   1HG   GLU  20          1HG       GLU  20 -13.629  -7.200  -3.424
  147   2HG   GLU  20          2HG       GLU  20 -14.646  -7.314  -1.985
  148    HE2  GLU  20           HE       GLU  20 -17.627  -6.538  -3.415
  149    H    LYS  21           H        LYS  21 -11.741  -3.540  -1.298
  150    HA   LYS  21           HA       LYS  21 -12.779  -0.964  -0.858
  151   1HB   LYS  21          1HB       LYS  21  -9.861  -1.572  -0.433
  152   2HB   LYS  21          2HB       LYS  21 -10.677  -0.287   0.098
  153   1HG   LYS  21          1HG       LYS  21 -11.355  -3.253   0.855
  154   2HG   LYS  21          2HG       LYS  21 -10.131  -2.200   1.602
  155   1HD   LYS  21          1HD       LYS  21 -11.892  -0.548   2.151
  156   2HD   LYS  21          2HD       LYS  21 -13.182  -1.463   1.337
  157   1HE   LYS  21          1HE       LYS  21 -13.219  -1.847   3.930
  158   2HE   LYS  21          2HE       LYS  21 -13.069  -3.266   2.762
  159   1HZ   LYS  21          1HZ       LYS  21 -10.754  -3.441   3.507
  160   2HZ   LYS  21          2HZ       LYS  21 -10.734  -1.968   4.211
  161    H    GLY  22           H        GLY  22  -9.941  -1.520  -3.080
  162   1HA   GLY  22          1HA       GLY  22  -9.280   0.797  -4.284
  163   2HA   GLY  22          2HA       GLY  22  -9.351  -0.722  -5.076
  164    H    LYS  23           H        LYS  23 -11.076  -1.113  -6.492
  165    HA   LYS  23           HA       LYS  23 -13.108   0.985  -7.327
  166   1HB   LYS  23          1HB       LYS  23 -11.884  -0.602  -9.016
  167   2HB   LYS  23          2HB       LYS  23 -12.777  -1.871  -8.239
  168   1HG   LYS  23          1HG       LYS  23 -14.840   0.025  -8.634
  169   2HG   LYS  23          2HG       LYS  23 -13.929   0.399 -10.033
  170   1HD   LYS  23          1HD       LYS  23 -15.115  -2.356  -9.349
  171   2HD   LYS  23          2HD       LYS  23 -15.715  -1.237 -10.487
  172   1HE   LYS  23          1HE       LYS  23 -13.080  -2.703 -10.865
  173   2HE   LYS  23          2HE       LYS  23 -14.613  -3.114 -11.666
  174   1HZ   LYS  23          1HZ       LYS  23 -13.235  -0.481 -11.898
  175   2HZ   LYS  23          2HZ       LYS  23 -12.862  -1.717 -12.882
  176    H    GLY  24           H        GLY  24 -14.255   1.160  -5.465
  177   1HA   GLY  24          1HA       GLY  24 -16.652   0.138  -5.854
  178   2HA   GLY  24          2HA       GLY  24 -16.195  -1.067  -4.739
  179    H    SER  25           H        SER  25 -14.492   1.198  -3.538
  180    HA   SER  25           HA       SER  25 -16.525   2.389  -1.689
  181   1HB   SER  25          1HB       SER  25 -13.833   1.159  -0.713
  182   2HB   SER  25          2HB       SER  25 -14.859   2.092   0.322
  183    HG   SER  25           HG       SER  25 -15.169  -0.506  -0.779
  184    H    GLN  26           H        GLN  26 -16.333   4.546  -2.107
  185    HA   GLN  26           HA       GLN  26 -14.390   6.079  -3.250
  186   1HB   GLN  26          1HB       GLN  26 -16.602   7.080  -1.495
  187   2HB   GLN  26          2HB       GLN  26 -15.515   8.040  -2.618
  188   1HG   GLN  26          1HG       GLN  26 -17.527   7.816  -3.602
  189   2HG   GLN  26          2HG       GLN  26 -16.303   7.244  -4.548
  190   1HE2  GLN  26          1HE2      GLN  26 -16.346   4.860  -5.077
  191   2HE2  GLN  26          2HE2      GLN  26 -17.789   3.865  -4.719
  192    H    LYS  27           H        LYS  27 -12.573   5.289  -2.183
  193    HA   LYS  27           HA       LYS  27 -11.279   7.257  -0.376
  194   1HB   LYS  27          1HB       LYS  27 -10.691   5.730   1.391
  195   2HB   LYS  27          2HB       LYS  27 -12.410   5.592   1.260
  196   1HG   LYS  27          1HG       LYS  27 -12.039   3.417   0.097
  197   2HG   LYS  27          2HG       LYS  27 -10.273   3.610   0.227
  198   1HD   LYS  27          1HD       LYS  27 -10.804   2.188   1.873
  199   2HD   LYS  27          2HD       LYS  27 -10.298   3.619   2.553
  200   1HE   LYS  27          1HE       LYS  27 -12.223   4.218   3.518
  201   2HE   LYS  27          2HE       LYS  27 -13.254   3.319   2.391
  202   1HZ   LYS  27          1HZ       LYS  27 -11.702   2.185   4.687
  203   2HZ   LYS  27          2HZ       LYS  27 -13.268   2.077   4.520
  204    H    LEU  28           H        LEU  28  -9.052   6.912  -0.331
  205    HA   LEU  28           HA       LEU  28  -7.621   5.638  -2.577
  206   1HB   LEU  28          1HB       LEU  28  -6.953   7.930  -1.678
  207   2HB   LEU  28          2HB       LEU  28  -6.653   7.231  -0.145
  208    HG   LEU  28           HG       LEU  28  -4.652   5.979  -1.241
  209   1HD1  LEU  28          1HD1      LEU  28  -3.949   6.828  -3.603
  210   2HD1  LEU  28          2HD1      LEU  28  -5.322   5.754  -3.604
  211   3HD1  LEU  28          3HD1      LEU  28  -5.539   7.486  -3.737
  212   1HD2  LEU  28          1HD2      LEU  28  -4.669   8.391  -0.150
  213   2HD2  LEU  28          2HD2      LEU  28  -3.398   8.285  -1.344
  214   3HD2  LEU  28          3HD2      LEU  28  -5.038   9.067  -1.702
  215    H    ILE  29           H        ILE  29  -6.234   4.000  -2.242
  216    HA   ILE  29           HA       ILE  29  -6.037   2.455   0.259
  217    HB   ILE  29           HB       ILE  29  -6.480   0.390  -0.326
  218   1HG1  ILE  29          1HG1      ILE  29  -7.134   0.920  -3.325
  219   2HG1  ILE  29          2HG1      ILE  29  -5.560   0.630  -2.827
  220   1HG2  ILE  29          1HG2      ILE  29  -8.764   0.298  -0.998
  221   2HG2  ILE  29          2HG2      ILE  29  -8.591   1.829  -0.148
  222   3HG2  ILE  29          3HG2      ILE  29  -8.751   1.925  -1.832
  223   1HD1  ILE  29          1HD1      ILE  29  -7.015  -1.372  -3.611
  224   2HD1  ILE  29          2HD1      ILE  29  -5.917  -1.611  -2.103
  225   3HD1  ILE  29          3HD1      ILE  29  -7.671  -1.407  -2.101
  226    H    VAL  30           H        VAL  30  -3.960   1.864   0.495
  227    HA   VAL  30           HA       VAL  30  -1.900   2.443  -1.654
  228    HB   VAL  30           HB       VAL  30  -1.506   3.330   1.203
  229   1HG1  VAL  30          1HG1      VAL  30   0.296   3.544  -1.394
  230   2HG1  VAL  30          2HG1      VAL  30   0.366   4.744  -0.041
  231   3HG1  VAL  30          3HG1      VAL  30   0.669   3.011   0.225
  232   1HG2  VAL  30          1HG2      VAL  30  -1.662   5.691   0.274
  233   2HG2  VAL  30          2HG2      VAL  30  -1.988   4.993  -1.277
  234   3HG2  VAL  30          3HG2      VAL  30  -3.168   4.748   0.160
  235    H    VAL  31           H        VAL  31  -0.326   0.917  -1.618
  236    HA   VAL  31           HA       VAL  31  -0.487  -1.406   0.225
  237    HB   VAL  31           HB       VAL  31  -2.154  -1.787  -1.165
  238   1HG1  VAL  31          1HG1      VAL  31  -1.979  -0.621  -3.135
  239   2HG1  VAL  31          2HG1      VAL  31  -0.357  -1.373  -3.414
  240   3HG1  VAL  31          3HG1      VAL  31  -1.873  -2.309  -3.677
  241   1HG2  VAL  31          1HG2      VAL  31  -1.749  -4.085  -1.928
  242   2HG2  VAL  31          2HG2      VAL  31  -0.093  -3.812  -1.873
  243   3HG2  VAL  31          3HG2      VAL  31  -0.940  -3.725  -0.294
  244    H    ASP  32           H        ASP  32   1.335  -1.308   0.836
  245    HA   ASP  32           HA       ASP  32   4.039  -1.458  -0.283
  246   1HB   ASP  32          1HB       ASP  32   3.444  -1.073   2.146
  247   2HB   ASP  32          2HB       ASP  32   3.338  -2.811   2.402
  248    HD2  ASP  32           HD       ASP  32   6.977  -2.138   1.304
  249    H    PHE  33           H        PHE  33   4.421  -2.962  -1.956
  250    HA   PHE  33           HA       PHE  33   4.379  -5.854  -1.286
  251   1HB   PHE  33          1HB       PHE  33   5.224  -4.382  -3.843
  252   2HB   PHE  33          2HB       PHE  33   5.559  -5.916  -3.712
  253    HD1  PHE  33           1HD      PHE  33   3.139  -7.358  -3.022
  254    HD2  PHE  33           2HD      PHE  33   3.221  -3.308  -4.590
  255    HE1  PHE  33           1HE      PHE  33   0.854  -7.699  -3.770
  256    HE2  PHE  33           2HE      PHE  33   0.857  -3.569  -5.025
  257    HZ   PHE  33           HZ       PHE  33  -0.383  -5.691  -4.607
  258    H    THR  34           H        THR  34   5.972  -6.940  -0.388
  259    HA   THR  34           HA       THR  34   8.606  -5.943  -0.052
  260    HB   THR  34           HB       THR  34   7.281  -4.373   1.341
  261    HG1  THR  34           1HG      THR  34   8.751  -6.224   2.760
  262   1HG2  THR  34          1HG2      THR  34   5.391  -6.090   2.354
  263   2HG2  THR  34          2HG2      THR  34   6.692  -6.666   3.291
  264   3HG2  THR  34          3HG2      THR  34   6.175  -5.013   3.558
  265    H    ALA  35           H        ALA  35   9.564  -7.528   1.019
  266    HA   ALA  35           HA       ALA  35   8.363 -10.249   1.222
  267   1HB   ALA  35          1HB       ALA  35  10.655  -9.459  -0.310
  268   2HB   ALA  35          2HB       ALA  35  11.356  -9.784   1.293
  269   3HB   ALA  35          3HB       ALA  35  10.448 -11.036   0.467
  270    H    SER  36           H        SER  36   8.895 -11.287   3.010
  271    HA   SER  36           HA       SER  36   8.838 -10.059   5.807
  272   1HB   SER  36          1HB       SER  36   8.339 -12.529   5.363
  273   2HB   SER  36          2HB       SER  36  10.060 -12.954   5.568
  274    HG   SER  36           HG       SER  36   9.874 -11.934   7.536
  275    H    TRP  37           H        TRP  37  11.669 -11.304   4.072
  276    HA   TRP  37           HA       TRP  37  13.767 -10.192   5.793
  277   1HB   TRP  37          1HB       TRP  37  15.323 -10.866   4.022
  278   2HB   TRP  37          2HB       TRP  37  14.156 -12.157   4.515
  279    HD1  TRP  37           HD       TRP  37  12.021 -12.722   2.702
  280    HE1  TRP  37           1HE      TRP  37  11.938 -12.948   0.120
  281    HE3  TRP  37           3HE      TRP  37  15.916  -9.614   1.730
  282    HZ2  TRP  37           2HZ      TRP  37  13.540 -11.905  -1.990
  283    HZ3  TRP  37           3HZ      TRP  37  16.761  -9.339  -0.616
  284    HH2  TRP  37           HH       TRP  37  15.525 -10.347  -2.451
  285    H    CYS  38           H        CYS  38  13.160  -7.930   6.000
  286    HA   CYS  38           HA       CYS  38  14.372  -6.028   4.056
  287   1HB   CYS  38          1HB       CYS  38  12.311  -6.383   2.783
  288   2HB   CYS  38          2HB       CYS  38  11.344  -5.745   4.121
  289    HG   CYS  38           HG       CYS  38  12.141  -4.145   2.051
  290    HA   PRO  39           HA       PRO  39  14.629  -4.704   8.572
  291   1HB   PRO  39          1HB       PRO  39  17.209  -3.904   7.433
  292   2HB   PRO  39          2HB       PRO  39  16.851  -4.590   8.998
  293   1HG   PRO  39          1HG       PRO  39  18.034  -6.010   7.045
  294   2HG   PRO  39          2HG       PRO  39  16.795  -6.752   8.180
  295   1HD   PRO  39          1HD       PRO  39  16.470  -5.975   5.301
  296   2HD   PRO  39          2HD       PRO  39  15.729  -7.323   6.158
  297    HA   PRO  40           HA       PRO  40  14.930  -0.098   6.553
  298   1HB   PRO  40          1HB       PRO  40  14.244  -0.590   3.650
  299   2HB   PRO  40          2HB       PRO  40  15.261   0.646   4.319
  300   1HG   PRO  40          1HG       PRO  40  16.531  -1.562   3.323
  301   2HG   PRO  40          2HG       PRO  40  17.165  -0.613   4.680
  302   1HD   PRO  40          1HD       PRO  40  15.765  -3.472   4.772
  303   2HD   PRO  40          2HD       PRO  40  16.995  -2.891   5.747
  304    H    CYS  41           H        CYS  41  12.571  -2.144   4.492
  305    HA   CYS  41           HA       CYS  41  10.369  -0.960   5.453
  306   1HB   CYS  41          1HB       CYS  41  10.346  -3.811   4.518
  307   2HB   CYS  41          2HB       CYS  41   8.927  -2.946   4.919
  308    HG   CYS  41           HG       CYS  41   9.214  -2.877   2.274
  309    H    LYS  42           H        LYS  42  12.129  -2.988   7.486
  310    HA   LYS  42           HA       LYS  42  10.167  -3.887   9.486
  311   1HB   LYS  42          1HB       LYS  42  12.714  -4.695   9.429
  312   2HB   LYS  42          2HB       LYS  42  13.073  -3.183  10.255
  313   1HG   LYS  42          1HG       LYS  42  11.248  -3.877  12.029
  314   2HG   LYS  42          2HG       LYS  42  11.355  -5.499  11.155
  315   1HD   LYS  42          1HD       LYS  42  13.882  -5.420  11.639
  316   2HD   LYS  42          2HD       LYS  42  13.608  -3.884  12.565
  317   1HE   LYS  42          1HE       LYS  42  13.488  -5.450  14.260
  318   2HE   LYS  42          2HE       LYS  42  11.808  -5.112  14.086
  319   1HZ   LYS  42          1HZ       LYS  42  12.691  -7.568  14.176
  320   2HZ   LYS  42          2HZ       LYS  42  11.599  -7.313  12.978
  321    H    MET  43           H        MET  43  12.443  -1.247   9.292
  322    HA   MET  43           HA       MET  43  10.836   0.544  11.169
  323   1HB   MET  43          1HB       MET  43  12.433   2.202  11.144
  324   2HB   MET  43          2HB       MET  43  13.443   0.803  10.999
  325   1HG   MET  43          1HG       MET  43  13.537   1.162   8.495
  326   2HG   MET  43          2HG       MET  43  12.729   2.811   8.638
  327   1HE   MET  43          1HE       MET  43  15.564   2.558   7.409
  328   2HE   MET  43          2HE       MET  43  16.901   3.049   8.403
  329   3HE   MET  43          3HE       MET  43  16.357   1.340   8.388
  330    H    ILE  44           H        ILE  44  10.857   0.503   7.638
  331    HA   ILE  44           HA       ILE  44   8.849   2.604   7.457
  332    HB   ILE  44           HB       ILE  44  10.086   1.135   5.326
  333   1HG1  ILE  44          1HG1      ILE  44   8.888   2.637   3.864
  334   2HG1  ILE  44          2HG1      ILE  44   7.803   3.277   5.255
  335   1HG2  ILE  44          1HG2      ILE  44   7.040   0.664   4.836
  336   2HG2  ILE  44          2HG2      ILE  44   8.404   0.155   3.879
  337   3HG2  ILE  44          3HG2      ILE  44   8.225  -0.550   5.380
  338   1HD1  ILE  44          1HD1      ILE  44  10.914   3.588   5.206
  339   2HD1  ILE  44          2HD1      ILE  44   9.665   4.765   4.826
  340   3HD1  ILE  44          3HD1      ILE  44   9.784   4.037   6.463
  341    H    ALA  45           H        ALA  45   8.253  -0.662   8.186
  342    HA   ALA  45           HA       ALA  45   5.351  -0.505   8.049
  343   1HB   ALA  45          1HB       ALA  45   6.855  -2.298   9.924
  344   2HB   ALA  45          2HB       ALA  45   5.094  -2.486   9.355
  345   3HB   ALA  45          3HB       ALA  45   6.485  -2.737   8.263
  346    HA   PRO  46           HA       PRO  46   5.207   1.574  12.486
  347   1HB   PRO  46          1HB       PRO  46   8.051   2.541  12.636
  348   2HB   PRO  46          2HB       PRO  46   6.915   2.169  13.962
  349   1HG   PRO  46          1HG       PRO  46   8.752   0.452  13.367
  350   2HG   PRO  46          2HG       PRO  46   7.252  -0.318  13.727
  351   1HD   PRO  46          1HD       PRO  46   8.379   0.126  10.946
  352   2HD   PRO  46          2HD       PRO  46   7.384  -1.153  11.551
  353    H    ILE  47           H        ILE  47   7.237   2.953   9.997
  354    HA   ILE  47           HA       ILE  47   5.997   5.679   9.872
  355    HB   ILE  47           HB       ILE  47   7.484   4.273   7.645
  356   1HG1  ILE  47          1HG1      ILE  47   8.964   4.719   9.596
  357   2HG1  ILE  47          2HG1      ILE  47   9.406   5.684   8.184
  358   1HG2  ILE  47          1HG2      ILE  47   6.107   5.833   6.550
  359   2HG2  ILE  47          2HG2      ILE  47   6.418   7.156   7.697
  360   3HG2  ILE  47          3HG2      ILE  47   7.682   6.560   6.575
  361   1HD1  ILE  47          1HD1      ILE  47   9.620   7.100  10.169
  362   2HD1  ILE  47          2HD1      ILE  47   8.341   7.702   9.216
  363   3HD1  ILE  47          3HD1      ILE  47   7.913   6.654  10.623
  364    H    PHE  48           H        PHE  48   5.264   2.927   7.830
  365    HA   PHE  48           HA       PHE  48   2.902   3.916   6.576
  366   1HB   PHE  48          1HB       PHE  48   4.465   1.746   6.257
  367   2HB   PHE  48          2HB       PHE  48   3.354   0.996   7.466
  368    HD1  PHE  48           1HD      PHE  48   1.857  -0.272   6.585
  369    HD2  PHE  48           2HD      PHE  48   3.100   3.104   4.287
  370    HE1  PHE  48           1HE      PHE  48   0.404  -0.996   4.639
  371    HE2  PHE  48           2HE      PHE  48   1.784   2.414   2.396
  372    HZ   PHE  48           HZ       PHE  48   0.393   0.353   2.557
  373    H    ALA  49           H        ALA  49   3.027   2.320   9.824
  374    HA   ALA  49           HA       ALA  49   0.252   2.820  10.413
  375   1HB   ALA  49          1HB       ALA  49   1.360   1.085  11.650
  376   2HB   ALA  49          2HB       ALA  49   2.564   2.121  12.333
  377   3HB   ALA  49          3HB       ALA  49   0.899   2.372  12.899
  378    H    GLU  50           H        GLU  50   3.188   4.914  11.496
  379    HA   GLU  50           HA       GLU  50   1.422   6.668  12.841
  380   1HB   GLU  50          1HB       GLU  50   3.961   6.671  13.100
  381   2HB   GLU  50          2HB       GLU  50   4.005   7.562  11.533
  382   1HG   GLU  50          1HG       GLU  50   2.936   9.467  12.708
  383   2HG   GLU  50          2HG       GLU  50   2.433   8.524  14.049
  384    HE2  GLU  50           HE       GLU  50   6.419   9.378  13.851
  385    H    LEU  51           H        LEU  51   2.524   7.039   9.692
  386    HA   LEU  51           HA       LEU  51   0.767   9.212   8.738
  387   1HB   LEU  51          1HB       LEU  51   2.895   8.507   7.622
  388   2HB   LEU  51          2HB       LEU  51   2.209   6.969   7.386
  389    HG   LEU  51           HG       LEU  51   2.452   8.528   5.514
  390   1HD1  LEU  51          1HD1      LEU  51   0.635   7.440   4.243
  391   2HD1  LEU  51          2HD1      LEU  51   1.435   6.279   5.373
  392   3HD1  LEU  51          3HD1      LEU  51  -0.165   6.882   5.760
  393   1HD2  LEU  51          1HD2      LEU  51   0.986  10.431   6.535
  394   2HD2  LEU  51          2HD2      LEU  51   0.608   9.921   4.834
  395   3HD2  LEU  51          3HD2      LEU  51  -0.396   9.448   6.261
  396    H    ALA  52           H        ALA  52  -0.181   5.793   8.887
  397    HA   ALA  52           HA       ALA  52  -2.869   6.111   7.749
  398   1HB   ALA  52          1HB       ALA  52  -1.673   3.793   8.356
  399   2HB   ALA  52          2HB       ALA  52  -2.014   4.190  10.027
  400   3HB   ALA  52          3HB       ALA  52  -3.431   4.015   8.858
  401    H    LYS  53           H        LYS  53  -1.547   6.350  10.975
  402    HA   LYS  53           HA       LYS  53  -4.066   7.427  12.343
  403   1HB   LYS  53          1HB       LYS  53  -1.040   7.643  13.069
  404   2HB   LYS  53          2HB       LYS  53  -2.330   8.245  14.024
  405   1HG   LYS  53          1HG       LYS  53  -3.263   5.802  14.250
  406   2HG   LYS  53          2HG       LYS  53  -1.993   5.093  13.251
  407   1HD   LYS  53          1HD       LYS  53  -0.264   6.344  14.735
  408   2HD   LYS  53          2HD       LYS  53  -1.498   6.693  15.863
  409   1HE   LYS  53          1HE       LYS  53  -2.002   4.150  16.189
  410   2HE   LYS  53          2HE       LYS  53  -0.974   3.732  14.857
  411   1HZ   LYS  53          1HZ       LYS  53  -0.239   4.160  17.514
  412   2HZ   LYS  53          2HZ       LYS  53   0.753   3.719  16.350
  413    H    LYS  54           H        LYS  54  -1.677   9.236  10.302
  414    HA   LYS  54           HA       LYS  54  -2.335  11.751  11.462
  415   1HB   LYS  54          1HB       LYS  54  -0.065  10.980  10.787
  416   2HB   LYS  54          2HB       LYS  54  -0.623  10.778   9.135
  417   1HG   LYS  54          1HG       LYS  54  -1.155  13.314   9.103
  418   2HG   LYS  54          2HG       LYS  54  -0.338  13.316  10.696
  419   1HD   LYS  54          1HD       LYS  54   0.893  12.457   8.071
  420   2HD   LYS  54          2HD       LYS  54   1.168  14.059   8.664
  421   1HE   LYS  54          1HE       LYS  54   2.530  13.083  10.615
  422   2HE   LYS  54          2HE       LYS  54   2.159  11.396  10.043
  423   1HZ   LYS  54          1HZ       LYS  54   4.339  12.407   9.379
  424   2HZ   LYS  54          2HZ       LYS  54   3.369  11.863   8.125
  425    H    PHE  55           H        PHE  55  -3.321   9.746   8.892
  426    HA   PHE  55           HA       PHE  55  -4.966  11.755   7.396
  427   1HB   PHE  55          1HB       PHE  55  -3.018   9.593   6.553
  428   2HB   PHE  55          2HB       PHE  55  -4.136  10.096   5.362
  429    HD1  PHE  55           1HD      PHE  55  -1.417  11.573   7.287
  430    HD2  PHE  55           2HD      PHE  55  -4.240  12.013   4.151
  431    HE1  PHE  55           1HE      PHE  55  -0.358  13.857   6.526
  432    HE2  PHE  55           2HE      PHE  55  -3.200  14.160   3.462
  433    HZ   PHE  55           HZ       PHE  55  -1.260  14.983   4.682
  434    HA   PRO  56           HA       PRO  56  -8.370   8.645   8.491
  435   1HB   PRO  56          1HB       PRO  56 -10.455  10.126   8.353
  436   2HB   PRO  56          2HB       PRO  56  -9.177  10.046   9.653
  437   1HG   PRO  56          1HG       PRO  56  -9.547  12.030   7.385
  438   2HG   PRO  56          2HG       PRO  56  -9.165  12.408   9.128
  439   1HD   PRO  56          1HD       PRO  56  -7.093  12.236   7.021
  440   2HD   PRO  56          2HD       PRO  56  -6.855  12.131   8.829
  441    H    ASN  57           H        ASN  57  -7.934   9.635   5.226
  442    HA   ASN  57           HA       ASN  57 -10.524   8.972   4.038
  443   1HB   ASN  57          1HB       ASN  57  -9.752  10.446   2.136
  444   2HB   ASN  57          2HB       ASN  57  -9.877  11.325   3.717
  445   1HD2  ASN  57          2HD2      ASN  57  -8.023  12.843   4.016
  446   2HD2  ASN  57          1HD2      ASN  57  -6.360  12.359   3.577
  447    H    VAL  58           H        VAL  58  -7.802   7.552   4.737
  448    HA   VAL  58           HA       VAL  58  -7.591   5.992   2.127
  449    HB   VAL  58           HB       VAL  58  -6.180   7.908   2.023
  450   1HG1  VAL  58          1HG1      VAL  58  -4.707   7.593   4.722
  451   2HG1  VAL  58          2HG1      VAL  58  -4.508   8.690   3.413
  452   3HG1  VAL  58          3HG1      VAL  58  -6.015   8.790   4.379
  453   1HG2  VAL  58          1HG2      VAL  58  -5.095   6.002   1.201
  454   2HG2  VAL  58          2HG2      VAL  58  -3.942   7.163   1.867
  455   3HG2  VAL  58          3HG2      VAL  58  -4.257   5.772   2.850
  456    H    THR  59           H        THR  59  -7.789   3.944   2.424
  457    HA   THR  59           HA       THR  59  -7.040   2.330   4.841
  458    HB   THR  59           HB       THR  59  -8.100   1.862   2.062
  459    HG1  THR  59           1HG      THR  59  -9.249   2.663   3.597
  460   1HG2  THR  59          1HG2      THR  59  -7.425  -0.442   3.950
  461   2HG2  THR  59          2HG2      THR  59  -8.694  -0.611   2.592
  462   3HG2  THR  59          3HG2      THR  59  -7.024  -0.345   2.239
  463    H    PHE  60           H        PHE  60  -5.400   0.882   4.892
  464    HA   PHE  60           HA       PHE  60  -3.161   0.940   2.905
  465   1HB   PHE  60          1HB       PHE  60  -3.034   1.407   6.162
  466   2HB   PHE  60          2HB       PHE  60  -1.632   1.062   5.126
  467    HD1  PHE  60           1HD      PHE  60  -1.084   2.810   3.227
  468    HD2  PHE  60           2HD      PHE  60  -4.083   3.431   6.164
  469    HE1  PHE  60           1HE      PHE  60  -0.751   5.336   2.932
  470    HE2  PHE  60           2HE      PHE  60  -3.874   6.042   5.732
  471    HZ   PHE  60           HZ       PHE  60  -2.252   6.847   4.311
  472    H    LEU  61           H        LEU  61  -2.292  -0.832   2.427
  473    HA   LEU  61           HA       LEU  61  -2.445  -3.243   4.263
  474   1HB   LEU  61          1HB       LEU  61  -3.700  -4.538   3.026
  475   2HB   LEU  61          2HB       LEU  61  -4.644  -3.180   2.968
  476    HG   LEU  61           HG       LEU  61  -3.270  -3.014   0.383
  477   1HD1  LEU  61          1HD1      LEU  61  -3.891  -6.011   0.896
  478   2HD1  LEU  61          2HD1      LEU  61  -3.195  -5.456  -0.533
  479   3HD1  LEU  61          3HD1      LEU  61  -2.345  -5.470   1.164
  480   1HD2  LEU  61          1HD2      LEU  61  -5.696  -2.873   0.826
  481   2HD2  LEU  61          2HD2      LEU  61  -5.292  -3.987  -0.564
  482   3HD2  LEU  61          3HD2      LEU  61  -5.873  -4.645   0.954
  483    H    LYS  62           H        LYS  62  -1.338  -4.883   3.733
  484    HA   LYS  62           HA       LYS  62   1.349  -4.406   2.350
  485   1HB   LYS  62          1HB       LYS  62   2.747  -4.564   4.263
  486   2HB   LYS  62          2HB       LYS  62   1.700  -3.127   4.382
  487   1HG   LYS  62          1HG       LYS  62   0.141  -4.149   6.013
  488   2HG   LYS  62          2HG       LYS  62   1.061  -5.631   6.104
  489   1HD   LYS  62          1HD       LYS  62   2.391  -2.999   7.110
  490   2HD   LYS  62          2HD       LYS  62   1.740  -4.153   8.036
  491   1HE   LYS  62          1HE       LYS  62   4.125  -4.875   6.278
  492   2HE   LYS  62          2HE       LYS  62   4.279  -4.234   7.781
  493   1HZ   LYS  62          1HZ       LYS  62   2.552  -6.709   7.484
  494   2HZ   LYS  62          2HZ       LYS  62   3.223  -6.279   8.886
  495    H    VAL  63           H        VAL  63   1.931  -5.850   1.753
  496    HA   VAL  63           HA       VAL  63   1.041  -8.683   1.932
  497    HB   VAL  63           HB       VAL  63   1.882  -7.203  -0.653
  498   1HG1  VAL  63          1HG1      VAL  63  -0.014  -9.555  -0.342
  499   2HG1  VAL  63          2HG1      VAL  63   0.720  -8.731  -1.832
  500   3HG1  VAL  63          3HG1      VAL  63   1.847  -9.666  -0.733
  501   1HG2  VAL  63          1HG2      VAL  63  -0.947  -7.385   0.391
  502   2HG2  VAL  63          2HG2      VAL  63  -0.086  -5.907   0.294
  503   3HG2  VAL  63          3HG2      VAL  63  -0.427  -6.761  -1.145
  504    H    ASP  64           H        ASP  64   2.383 -10.091   2.306
  505    HA   ASP  64           HA       ASP  64   5.243 -10.496   1.986
  506   1HB   ASP  64          1HB       ASP  64   3.923 -11.744   3.440
  507   2HB   ASP  64          2HB       ASP  64   3.143 -12.668   2.196
  508    HD2  ASP  64           HD       ASP  64   6.989 -13.495   3.283
  509    H    VAL  65           H        VAL  65   5.741  -9.875  -0.135
  510    HA   VAL  65           HA       VAL  65   4.649 -10.693  -2.665
  511    HB   VAL  65           HB       VAL  65   6.053  -8.658  -2.180
  512   1HG1  VAL  65          1HG1      VAL  65   8.049  -9.724  -1.068
  513   2HG1  VAL  65          2HG1      VAL  65   8.475 -10.767  -2.475
  514   3HG1  VAL  65          3HG1      VAL  65   8.766  -9.066  -2.554
  515   1HG2  VAL  65          1HG2      VAL  65   5.598  -9.469  -4.549
  516   2HG2  VAL  65          2HG2      VAL  65   6.800  -8.252  -4.150
  517   3HG2  VAL  65          3HG2      VAL  65   7.142 -10.110  -4.573
  518    H    ASP  66           H        ASP  66   7.067 -12.592  -0.763
  519    HA   ASP  66           HA       ASP  66   7.767 -14.281  -2.965
  520   1HB   ASP  66          1HB       ASP  66   7.714 -14.865   0.064
  521   2HB   ASP  66          2HB       ASP  66   8.348 -16.048  -1.041
  522    HD2  ASP  66           HD       ASP  66  11.381 -14.425  -0.845
  523    H    GLU  67           H        GLU  67   5.094 -14.492  -0.829
  524    HA   GLU  67           HA       GLU  67   3.704 -16.735  -2.067
  525   1HB   GLU  67          1HB       GLU  67   2.630 -14.404  -0.167
  526   2HB   GLU  67          2HB       GLU  67   1.639 -15.824  -0.542
  527   1HG   GLU  67          1HG       GLU  67   3.271 -17.410   0.379
  528   2HG   GLU  67          2HG       GLU  67   4.274 -16.112   0.926
  529    HE2  GLU  67           HE       GLU  67   1.006 -17.180   2.911
  530    H    LEU  68           H        LEU  68   3.898 -13.550  -3.066
  531    HA   LEU  68           HA       LEU  68   1.653 -13.668  -5.074
  532   1HB   LEU  68          1HB       LEU  68   1.662 -11.569  -2.788
  533   2HB   LEU  68          2HB       LEU  68   0.851 -11.451  -4.320
  534    HG   LEU  68           HG       LEU  68   0.211 -13.547  -2.049
  535   1HD1  LEU  68          1HD1      LEU  68  -1.868 -12.156  -1.832
  536   2HD1  LEU  68          2HD1      LEU  68  -0.464 -11.265  -1.437
  537   3HD1  LEU  68          3HD1      LEU  68  -1.186 -10.880  -2.908
  538   1HD2  LEU  68          1HD2      LEU  68  -1.343 -13.058  -4.745
  539   2HD2  LEU  68          2HD2      LEU  68  -0.765 -14.616  -4.248
  540   3HD2  LEU  68          3HD2      LEU  68  -2.057 -14.009  -3.359
  541    H    LYS  69           H        LYS  69   3.612 -13.762  -6.020
  542    HA   LYS  69           HA       LYS  69   5.149 -11.323  -6.609
  543   1HB   LYS  69          1HB       LYS  69   7.017 -12.595  -7.627
  544   2HB   LYS  69          2HB       LYS  69   6.757 -12.902  -6.000
  545   1HG   LYS  69          1HG       LYS  69   5.529 -15.144  -6.681
  546   2HG   LYS  69          2HG       LYS  69   5.702 -14.730  -8.297
  547   1HD   LYS  69          1HD       LYS  69   7.472 -15.983  -8.151
  548   2HD   LYS  69          2HD       LYS  69   8.431 -14.731  -7.704
  549   1HE   LYS  69          1HE       LYS  69   7.386 -15.266  -5.151
  550   2HE   LYS  69          2HE       LYS  69   7.590 -16.815  -5.675
  551   1HZ   LYS  69          1HZ       LYS  69   9.624 -16.062  -4.600
  552   2HZ   LYS  69          2HZ       LYS  69  10.106 -16.325  -6.055
  553    H    ALA  70           H        ALA  70   3.176 -13.730  -8.267
  554    HA   ALA  70           HA       ALA  70   3.511 -12.709 -11.061
  555   1HB   ALA  70          1HB       ALA  70   1.555 -14.031 -11.682
  556   2HB   ALA  70          2HB       ALA  70   2.798 -14.937 -10.772
  557   3HB   ALA  70          3HB       ALA  70   1.368 -14.560 -10.022
  558    H    VAL  71           H        VAL  71   0.753 -12.352  -8.914
  559    HA   VAL  71           HA       VAL  71  -0.425  -9.837  -9.960
  560    HB   VAL  71           HB       VAL  71  -1.534 -11.392  -8.294
  561   1HG1  VAL  71          1HG1      VAL  71  -1.135 -11.222  -5.926
  562   2HG1  VAL  71          2HG1      VAL  71   0.553 -11.313  -6.634
  563   3HG1  VAL  71          3HG1      VAL  71  -0.150  -9.731  -6.159
  564   1HG2  VAL  71          1HG2      VAL  71  -2.645  -9.514  -7.187
  565   2HG2  VAL  71          2HG2      VAL  71  -1.461  -8.412  -7.903
  566   3HG2  VAL  71          3HG2      VAL  71  -2.440  -9.341  -8.964
  567    H    ALA  72           H        ALA  72   2.302  -9.827  -7.406
  568    HA   ALA  72           HA       ALA  72   2.243  -7.080  -6.968
  569   1HB   ALA  72          1HB       ALA  72   4.828  -8.687  -7.139
  570   2HB   ALA  72          2HB       ALA  72   4.575  -7.046  -6.426
  571   3HB   ALA  72          3HB       ALA  72   3.824  -8.550  -5.690
  572    H    GLU  73           H        GLU  73   3.856  -8.921  -9.431
  573    HA   GLU  73           HA       GLU  73   5.161  -6.781 -10.736
  574   1HB   GLU  73          1HB       GLU  73   4.289  -9.547 -11.923
  575   2HB   GLU  73          2HB       GLU  73   5.362  -8.588 -12.805
  576   1HG   GLU  73          1HG       GLU  73   7.120  -8.816 -10.804
  577   2HG   GLU  73          2HG       GLU  73   5.969  -9.950 -10.134
  578    HE2  GLU  73           HE       GLU  73   7.197  -9.279 -13.110
  579    H    GLU  74           H        GLU  74   2.067  -8.509 -11.274
  580    HA   GLU  74           HA       GLU  74   1.265  -6.946 -13.674
  581   1HB   GLU  74          1HB       GLU  74  -0.627  -8.120 -13.611
  582   2HB   GLU  74          2HB       GLU  74   0.222  -9.236 -12.567
  583   1HG   GLU  74          1HG       GLU  74  -1.220  -8.203 -10.681
  584   2HG   GLU  74          2HG       GLU  74  -2.013  -7.226 -11.903
  585    HE2  GLU  74           HE       GLU  74  -3.598  -7.801 -12.694
  586    H    TRP  75           H        TRP  75   0.752  -5.867 -10.381
  587    HA   TRP  75           HA       TRP  75  -0.689  -3.342 -11.176
  588   1HB   TRP  75          1HB       TRP  75   0.418  -3.563  -8.484
  589   2HB   TRP  75          2HB       TRP  75  -0.831  -2.553  -9.149
  590    HD1  TRP  75           HD       TRP  75  -0.568  -5.109  -6.822
  591    HE1  TRP  75           1HE      TRP  75  -2.367  -7.073  -6.695
  592    HE3  TRP  75           3HE      TRP  75  -2.867  -4.007 -11.031
  593    HZ2  TRP  75           2HZ      TRP  75  -4.475  -7.732  -8.360
  594    HZ3  TRP  75           3HZ      TRP  75  -5.104  -4.902 -11.614
  595    HH2  TRP  75           HH       TRP  75  -5.618  -7.124 -10.523
  596    H    ASN  76           H        ASN  76   2.628  -4.102 -10.268
  597    HA   ASN  76           HA       ASN  76   4.098  -3.394 -12.058
  598   1HB   ASN  76          1HB       ASN  76   2.710  -1.590 -12.920
  599   2HB   ASN  76          2HB       ASN  76   3.400  -0.449 -11.696
  600   1HD2  ASN  76          1HD2      ASN  76   4.105  -2.501 -14.452
  601   2HD2  ASN  76          2HD2      ASN  76   5.632  -1.710 -15.095
  602    H    VAL  77           H        VAL  77   5.151  -4.659 -10.690
  603    HA   VAL  77           HA       VAL  77   7.296  -3.354  -9.070
  604    HB   VAL  77           HB       VAL  77   5.865  -6.013  -8.304
  605   1HG1  VAL  77          1HG1      VAL  77   6.719  -5.751  -6.211
  606   2HG1  VAL  77          2HG1      VAL  77   8.080  -5.902  -7.378
  607   3HG1  VAL  77          3HG1      VAL  77   7.704  -4.254  -6.499
  608   1HG2  VAL  77          1HG2      VAL  77   5.443  -3.239  -6.958
  609   2HG2  VAL  77          2HG2      VAL  77   4.239  -3.892  -8.045
  610   3HG2  VAL  77          3HG2      VAL  77   4.754  -4.823  -6.536
  611    H    GLU  78           H        GLU  78   9.000  -3.963  -9.597
  612    HA   GLU  78           HA       GLU  78   9.921  -6.395 -10.802
  613   1HB   GLU  78          1HB       GLU  78  11.515  -5.629 -12.098
  614   2HB   GLU  78          2HB       GLU  78  10.167  -4.617 -12.419
  615   1HG   GLU  78          1HG       GLU  78  10.972  -2.768 -11.128
  616   2HG   GLU  78          2HG       GLU  78  12.521  -3.661 -10.778
  617    HE2  GLU  78           HE       GLU  78  13.858  -2.708 -11.682
  618    H    ALA  79           H        ALA  79  10.182  -4.274  -7.951
  619    HA   ALA  79           HA       ALA  79  12.572  -5.547  -6.925
  620   1HB   ALA  79          1HB       ALA  79  12.623  -2.495  -7.802
  621   2HB   ALA  79          2HB       ALA  79  13.857  -3.160  -6.874
  622   3HB   ALA  79          3HB       ALA  79  13.473  -3.925  -8.540
  623    H    MET  80           H        MET  80  12.771  -5.359  -4.877
  624    HA   MET  80           HA       MET  80  10.574  -4.368  -3.186
  625   1HB   MET  80          1HB       MET  80  13.267  -5.746  -2.378
  626   2HB   MET  80          2HB       MET  80  12.053  -5.099  -1.261
  627   1HG   MET  80          1HG       MET  80  11.466  -7.232  -3.401
  628   2HG   MET  80          2HG       MET  80  11.683  -7.442  -1.536
  629   1HE   MET  80          1HE       MET  80   8.887  -7.074  -4.193
  630   2HE   MET  80          2HE       MET  80   7.616  -6.378  -3.254
  631   3HE   MET  80          3HE       MET  80   8.845  -5.348  -3.830
  632    HA   PRO  81           HA       PRO  81   9.506  -2.755  -2.860
  633   1HB   PRO  81          1HB       PRO  81   8.884  -2.639  -0.212
  634   2HB   PRO  81          2HB       PRO  81  10.108  -3.779  -0.793
  635   1HG   PRO  81          1HG       PRO  81  10.356  -0.925   0.377
  636   2HG   PRO  81          2HG       PRO  81  11.415  -2.534   0.636
  637   1HD   PRO  81          1HD       PRO  81  11.722  -0.197  -1.238
  638   2HD   PRO  81          2HD       PRO  81  12.886  -1.592  -0.887
  639    H    THR  82           H        THR  82   7.813  -2.288  -2.762
  640    HA   THR  82           HA       THR  82   7.438   0.556  -3.876
  641    HB   THR  82           HB       THR  82   6.384  -2.057  -5.136
  642    HG1  THR  82           1HG      THR  82   8.414  -2.540  -5.790
  643   1HG2  THR  82          1HG2      THR  82   6.288  -0.679  -7.370
  644   2HG2  THR  82          2HG2      THR  82   5.276  -0.083  -6.204
  645   3HG2  THR  82          3HG2      THR  82   6.957   0.719  -6.476
  646    H    PHE  83           H        PHE  83   5.696   1.656  -3.682
  647    HA   PHE  83           HA       PHE  83   3.288   0.794  -2.065
  648   1HB   PHE  83          1HB       PHE  83   4.726   3.485  -2.551
  649   2HB   PHE  83          2HB       PHE  83   3.230   3.218  -1.581
  650    HD1  PHE  83           1HD      PHE  83   7.025   3.405  -1.214
  651    HD2  PHE  83           2HD      PHE  83   3.350   1.644   0.231
  652    HE1  PHE  83           1HE      PHE  83   8.139   2.538   0.644
  653    HE2  PHE  83           2HE      PHE  83   4.535   0.937   2.322
  654    HZ   PHE  83           HZ       PHE  83   7.021   1.710   2.432
  655    H    ILE  84           H        ILE  84   1.770   0.451  -3.658
  656    HA   ILE  84           HA       ILE  84   1.435   1.889  -6.148
  657    HB   ILE  84           HB       ILE  84   1.219  -0.869  -5.178
  658   1HG1  ILE  84          1HG1      ILE  84   1.733  -0.188  -8.133
  659   2HG1  ILE  84          2HG1      ILE  84   2.790   0.520  -6.995
  660   1HG2  ILE  84          1HG2      ILE  84  -0.498   0.170  -7.524
  661   2HG2  ILE  84          2HG2      ILE  84  -0.570  -1.486  -6.870
  662   3HG2  ILE  84          3HG2      ILE  84  -1.381  -0.152  -5.969
  663   1HD1  ILE  84          1HD1      ILE  84   3.719  -1.563  -7.742
  664   2HD1  ILE  84          2HD1      ILE  84   3.589  -1.431  -5.955
  665   3HD1  ILE  84          3HD1      ILE  84   2.523  -2.434  -6.815
  666    H    PHE  85           H        PHE  85  -0.261   3.036  -6.427
  667    HA   PHE  85           HA       PHE  85  -2.152   3.722  -4.191
  668   1HB   PHE  85          1HB       PHE  85  -0.843   5.309  -6.415
  669   2HB   PHE  85          2HB       PHE  85  -2.095   6.025  -5.552
  670    HD1  PHE  85           1HD      PHE  85   1.512   4.865  -5.138
  671    HD2  PHE  85           2HD      PHE  85  -1.703   7.299  -3.542
  672    HE1  PHE  85           1HE      PHE  85   2.913   5.536  -2.986
  673    HE2  PHE  85           2HE      PHE  85  -0.374   7.822  -1.566
  674    HZ   PHE  85           HZ       PHE  85   1.782   6.737  -1.280
  675    H    LEU  86           H        LEU  86  -3.855   2.680  -4.622
  676    HA   LEU  86           HA       LEU  86  -5.128   2.781  -7.348
  677   1HB   LEU  86          1HB       LEU  86  -3.983   0.607  -6.153
  678   2HB   LEU  86          2HB       LEU  86  -5.255   0.701  -5.067
  679    HG   LEU  86           HG       LEU  86  -6.115  -0.930  -6.141
  680   1HD1  LEU  86          1HD1      LEU  86  -7.984  -0.574  -7.668
  681   2HD1  LEU  86          2HD1      LEU  86  -7.946   0.625  -6.473
  682   3HD1  LEU  86          3HD1      LEU  86  -7.278   1.128  -8.073
  683   1HD2  LEU  86          1HD2      LEU  86  -4.970  -0.288  -8.864
  684   2HD2  LEU  86          2HD2      LEU  86  -3.966  -1.158  -7.548
  685   3HD2  LEU  86          3HD2      LEU  86  -5.535  -1.812  -8.167
  686    H    LYS  87           H        LYS  87  -6.811   3.981  -7.010
  687    HA   LYS  87           HA       LYS  87  -8.335   4.619  -4.438
  688   1HB   LYS  87          1HB       LYS  87  -6.945   6.347  -5.927
  689   2HB   LYS  87          2HB       LYS  87  -8.093   6.164  -7.244
  690   1HG   LYS  87          1HG       LYS  87  -9.755   7.292  -5.715
  691   2HG   LYS  87          2HG       LYS  87  -8.817   7.077  -4.294
  692   1HD   LYS  87          1HD       LYS  87  -7.492   8.846  -4.630
  693   2HD   LYS  87          2HD       LYS  87  -7.435   8.786  -6.282
  694   1HE   LYS  87          1HE       LYS  87  -8.889  10.698  -5.497
  695   2HE   LYS  87          2HE       LYS  87 -10.104   9.434  -6.038
  696   1HZ   LYS  87          1HZ       LYS  87  -9.118   9.813  -3.250
  697   2HZ   LYS  87          2HZ       LYS  87 -10.384  10.603  -3.752
  698    H    ASP  88           H        ASP  88 -10.708   4.987  -4.973
  699    HA   ASP  88           HA       ASP  88 -12.120   3.308  -6.941
  700   1HB   ASP  88          1HB       ASP  88 -13.993   4.786  -6.415
  701   2HB   ASP  88          2HB       ASP  88 -13.219   4.305  -4.874
  702    HD2  ASP  88           HD       ASP  88 -12.608   7.817  -4.527
  703    H    GLY  89           H        GLY  89 -10.169   3.929  -8.484
  704   1HA   GLY  89          1HA       GLY  89 -11.564   4.747 -10.946
  705   2HA   GLY  89          2HA       GLY  89 -10.368   6.068 -10.426
  706    H    LYS  90           H        LYS  90  -9.962   2.692  -9.948
  707    HA   LYS  90           HA       LYS  90  -8.161   1.142 -10.396
  708   1HB   LYS  90          1HB       LYS  90  -9.326   1.435 -12.743
  709   2HB   LYS  90          2HB       LYS  90  -7.756   2.139 -13.224
  710   1HG   LYS  90          1HG       LYS  90  -6.851   0.020 -12.861
  711   2HG   LYS  90          2HG       LYS  90  -8.050  -0.609 -11.856
  712   1HD   LYS  90          1HD       LYS  90  -8.637  -0.044 -14.763
  713   2HD   LYS  90          2HD       LYS  90  -7.895  -1.514 -14.292
  714   1HE   LYS  90          1HE       LYS  90  -9.792  -2.316 -12.959
  715   2HE   LYS  90          2HE       LYS  90 -10.651  -0.772 -13.375
  716   1HZ   LYS  90          1HZ       LYS  90  -9.734  -2.498 -15.628
  717   2HZ   LYS  90          2HZ       LYS  90 -10.944  -1.341 -15.610
  718    H    LEU  91           H        LEU  91  -5.720   1.081 -11.634
  719    HA   LEU  91           HA       LEU  91  -3.838   2.043  -9.750
  720   1HB   LEU  91          1HB       LEU  91  -3.614   0.251 -11.741
  721   2HB   LEU  91          2HB       LEU  91  -3.521   1.567 -12.812
  722    HG   LEU  91           HG       LEU  91  -1.424   2.450 -11.768
  723   1HD1  LEU  91          1HD1      LEU  91  -0.077   0.922 -10.277
  724   2HD1  LEU  91          2HD1      LEU  91  -1.384   1.866  -9.455
  725   3HD1  LEU  91          3HD1      LEU  91  -1.595   0.097  -9.807
  726   1HD2  LEU  91          1HD2      LEU  91   0.034   0.702 -12.686
  727   2HD2  LEU  91          2HD2      LEU  91  -1.253  -0.588 -12.271
  728   3HD2  LEU  91          3HD2      LEU  91  -1.462   0.635 -13.707
  729    H    VAL  92           H        VAL  92  -4.212   4.221  -9.415
  730    HA   VAL  92           HA       VAL  92  -3.673   6.369 -11.298
  731    HB   VAL  92           HB       VAL  92  -3.746   7.910  -9.375
  732   1HG1  VAL  92          1HG1      VAL  92  -6.250   7.798  -9.175
  733   2HG1  VAL  92          2HG1      VAL  92  -5.614   7.578 -10.708
  734   3HG1  VAL  92          3HG1      VAL  92  -6.154   6.138  -9.776
  735   1HG2  VAL  92          1HG2      VAL  92  -4.841   5.684  -7.481
  736   2HG2  VAL  92          2HG2      VAL  92  -3.127   6.281  -7.534
  737   3HG2  VAL  92          3HG2      VAL  92  -4.476   7.340  -7.076
  738    H    ASP  93           H        ASP  93  -1.333   5.063  -8.534
  739    HA   ASP  93           HA       ASP  93   0.872   5.496 -10.448
  740   1HB   ASP  93          1HB       ASP  93   0.002   7.920  -9.060
  741   2HB   ASP  93          2HB       ASP  93   1.142   7.492  -8.114
  742    HD2  ASP  93           HD       ASP  93   0.019   8.624 -11.061
  743    H    LYS  94           H        LYS  94   3.060   5.684  -9.228
  744    HA   LYS  94           HA       LYS  94   3.363   3.766  -7.104
  745   1HB   LYS  94          1HB       LYS  94   4.636   2.051  -8.262
  746   2HB   LYS  94          2HB       LYS  94   3.030   2.078  -8.604
  747   1HG   LYS  94          1HG       LYS  94   5.401   2.707 -10.507
  748   2HG   LYS  94          2HG       LYS  94   4.258   1.521 -10.478
  749   1HD   LYS  94          1HD       LYS  94   3.585   4.420 -11.293
  750   2HD   LYS  94          2HD       LYS  94   4.218   3.157 -12.398
  751   1HE   LYS  94          1HE       LYS  94   2.094   1.868 -11.794
  752   2HE   LYS  94          2HE       LYS  94   1.597   3.308 -10.910
  753   1HZ   LYS  94          1HZ       LYS  94   0.739   3.269 -13.236
  754   2HZ   LYS  94          2HZ       LYS  94   2.143   3.175 -13.917
  755    H    THR  95           H        THR  95   5.282   3.377  -6.455
  756    HA   THR  95           HA       THR  95   7.738   5.070  -6.945
  757    HB   THR  95           HB       THR  95   6.264   5.609  -4.366
  758    HG1  THR  95           1HG      THR  95   6.529   7.187  -6.536
  759   1HG2  THR  95          1HG2      THR  95   8.800   5.673  -4.361
  760   2HG2  THR  95          2HG2      THR  95   8.942   6.817  -5.675
  761   3HG2  THR  95          3HG2      THR  95   8.183   7.273  -4.157
  762    H    VAL  96           H        VAL  96   8.570   3.042  -7.153
  763    HA   VAL  96           HA       VAL  96   9.135   1.211  -4.751
  764    HB   VAL  96           HB       VAL  96   9.211   0.287  -6.818
  765   1HG1  VAL  96          1HG1      VAL  96   9.261   1.982  -8.449
  766   2HG1  VAL  96          2HG1      VAL  96  10.915   1.978  -8.400
  767   3HG1  VAL  96          3HG1      VAL  96  10.118   0.566  -8.813
  768   1HG2  VAL  96          1HG2      VAL  96  10.974  -1.012  -6.605
  769   2HG2  VAL  96          2HG2      VAL  96  12.215   0.204  -6.765
  770   3HG2  VAL  96          3HG2      VAL  96  11.566  -0.194  -5.308
  771    H    GLY  97           H        GLY  97   9.767   2.420  -3.031
  772   1HA   GLY  97          1HA       GLY  97  12.307   2.630  -2.506
  773   2HA   GLY  97          2HA       GLY  97  11.950   4.384  -3.127
  774    H    ALA  98           H        ALA  98  11.977   2.282  -0.467
  775    HA   ALA  98           HA       ALA  98  10.038   3.475   1.352
  776   1HB   ALA  98          1HB       ALA  98  10.823   1.247   1.721
  777   2HB   ALA  98          2HB       ALA  98  12.490   1.657   1.937
  778   3HB   ALA  98          3HB       ALA  98  11.316   2.276   3.115
  779    H    ASP  99           H        ASP  99  10.181   5.395   2.288
  780    HA   ASP  99           HA       ASP  99  12.801   6.565   3.126
  781   1HB   ASP  99          1HB       ASP  99  12.888   7.130   0.771
  782   2HB   ASP  99          2HB       ASP  99  11.358   8.160   0.941
  783    HD2  ASP  99           HD       ASP  99  14.891   9.263   2.842
  784    H    LYS 100           H        LYS 100  12.219   7.432   4.918
  785    HA   LYS 100           HA       LYS 100   9.791   7.503   6.389
  786   1HB   LYS 100          1HB       LYS 100  10.751   8.632   8.214
  787   2HB   LYS 100          2HB       LYS 100  11.581   7.247   7.569
  788   1HG   LYS 100          1HG       LYS 100  13.434   8.645   6.555
  789   2HG   LYS 100          2HG       LYS 100  12.690  10.119   6.936
  790   1HD   LYS 100          1HD       LYS 100  12.535   9.438   9.282
  791   2HD   LYS 100          2HD       LYS 100  13.577   8.052   8.957
  792   1HE   LYS 100          1HE       LYS 100  15.398   9.674   8.019
  793   2HE   LYS 100          2HE       LYS 100  14.329  11.011   8.607
  794   1HZ   LYS 100          1HZ       LYS 100  14.447  10.175  10.867
  795   2HZ   LYS 100          2HZ       LYS 100  15.514   9.048  10.452
  796    H    ASP 101           H        ASP 101  11.189  10.292   4.896
  797    HA   ASP 101           HA       ASP 101   8.956  12.137   5.837
  798   1HB   ASP 101          1HB       ASP 101   9.885  13.971   5.279
  799   2HB   ASP 101          2HB       ASP 101  11.096  12.922   6.159
  800    HD2  ASP 101           HD       ASP 101  12.085  14.128   2.465
  801    H    GLY 102           H        GLY 102  10.307  10.558   2.793
  802   1HA   GLY 102          1HA       GLY 102   8.909  11.615   0.532
  803   2HA   GLY 102          2HA       GLY 102   9.651  10.137   0.759
  804    H    LEU 103           H        LEU 103   8.182   8.533   2.251
  805    HA   LEU 103           HA       LEU 103   5.915   8.062   0.695
  806   1HB   LEU 103          1HB       LEU 103   7.177   6.420   1.904
  807   2HB   LEU 103          2HB       LEU 103   6.890   7.098   3.422
  808    HG   LEU 103           HG       LEU 103   4.530   6.500   3.457
  809   1HD1  LEU 103          1HD1      LEU 103   3.558   5.151   1.996
  810   2HD1  LEU 103          2HD1      LEU 103   4.050   6.357   0.800
  811   3HD1  LEU 103          3HD1      LEU 103   4.973   4.758   1.010
  812   1HD2  LEU 103          1HD2      LEU 103   6.076   5.128   4.492
  813   2HD2  LEU 103          2HD2      LEU 103   5.016   3.991   3.746
  814   3HD2  LEU 103          3HD2      LEU 103   6.716   4.209   3.069
  815    HA   PRO 104           HA       PRO 104   2.962  10.232   3.921
  816   1HB   PRO 104          1HB       PRO 104   5.007  12.247   5.056
  817   2HB   PRO 104          2HB       PRO 104   3.481  11.632   5.761
  818   1HG   PRO 104          1HG       PRO 104   5.905  10.529   6.531
  819   2HG   PRO 104          2HG       PRO 104   4.431   9.461   6.369
  820   1HD   PRO 104          1HD       PRO 104   6.759  10.065   4.392
  821   2HD   PRO 104          2HD       PRO 104   6.101   8.571   4.844
  822    H    THR 105           H        THR 105   5.601  12.059   2.279
  823    HA   THR 105           HA       THR 105   4.274  14.557   1.396
  824    HB   THR 105           HB       THR 105   6.846  13.035   0.377
  825    HG1  THR 105           1HG      THR 105   7.448  13.952   1.980
  826   1HG2  THR 105          1HG2      THR 105   7.293  14.939  -1.115
  827   2HG2  THR 105          2HG2      THR 105   5.853  14.267  -1.664
  828   3HG2  THR 105          3HG2      THR 105   5.653  15.730  -0.744
  829    H    LEU 106           H        LEU 106   4.723  11.520  -0.037
  830    HA   LEU 106           HA       LEU 106   3.193  11.934  -2.546
  831   1HB   LEU 106          1HB       LEU 106   5.082  10.631  -2.603
  832   2HB   LEU 106          2HB       LEU 106   4.488   9.634  -1.311
  833    HG   LEU 106           HG       LEU 106   2.725   8.697  -2.774
  834   1HD1  LEU 106          1HD1      LEU 106   2.747   8.958  -5.165
  835   2HD1  LEU 106          2HD1      LEU 106   2.706  10.654  -4.487
  836   3HD1  LEU 106          3HD1      LEU 106   4.302   9.928  -5.012
  837   1HD2  LEU 106          1HD2      LEU 106   4.122   7.347  -4.167
  838   2HD2  LEU 106          2HD2      LEU 106   5.619   8.282  -3.645
  839   3HD2  LEU 106          3HD2      LEU 106   4.661   7.413  -2.387
  840    H    VAL 107           H        VAL 107   2.353  10.250   0.379
  841    HA   VAL 107           HA       VAL 107  -0.428   9.686  -0.333
  842    HB   VAL 107           HB       VAL 107   0.947   9.535   2.379
  843   1HG1  VAL 107          1HG1      VAL 107  -1.153  10.495   3.113
  844   2HG1  VAL 107          2HG1      VAL 107  -2.082   9.432   1.979
  845   3HG1  VAL 107          3HG1      VAL 107  -1.235   8.654   3.352
  846   1HG2  VAL 107          1HG2      VAL 107   0.253   7.325   2.148
  847   2HG2  VAL 107          2HG2      VAL 107  -0.766   7.755   0.793
  848   3HG2  VAL 107          3HG2      VAL 107   1.101   7.664   0.561
  849    H    ALA 108           H        ALA 108   0.978  12.517   1.481
  850    HA   ALA 108           HA       ALA 108  -1.421  14.097   1.998
  851   1HB   ALA 108          1HB       ALA 108   0.242  15.981   1.900
  852   2HB   ALA 108          2HB       ALA 108   0.967  14.493   2.803
  853   3HB   ALA 108          3HB       ALA 108   1.506  14.993   1.223
  854    H    LYS 109           H        LYS 109   0.517  13.940  -0.714
  855    HA   LYS 109           HA       LYS 109  -0.587  15.983  -2.625
  856   1HB   LYS 109          1HB       LYS 109   1.469  13.787  -2.995
  857   2HB   LYS 109          2HB       LYS 109   0.880  14.843  -4.329
  858   1HG   LYS 109          1HG       LYS 109   1.494  16.872  -3.048
  859   2HG   LYS 109          2HG       LYS 109   2.074  15.998  -1.650
  860   1HD   LYS 109          1HD       LYS 109   3.943  14.989  -2.801
  861   2HD   LYS 109          2HD       LYS 109   3.234  15.308  -4.459
  862   1HE   LYS 109          1HE       LYS 109   3.572  17.719  -4.199
  863   2HE   LYS 109          2HE       LYS 109   4.007  17.707  -2.517
  864   1HZ   LYS 109          1HZ       LYS 109   6.163  16.777  -3.142
  865   2HZ   LYS 109          2HZ       LYS 109   5.622  16.354  -4.562
  866    H    HIS 110           H        HIS 110  -0.796  12.277  -2.397
  867    HA   HIS 110           HA       HIS 110  -2.881  12.068  -4.556
  868   1HB   HIS 110          1HB       HIS 110  -1.652  10.213  -2.442
  869   2HB   HIS 110          2HB       HIS 110  -3.101   9.700  -3.219
  870    HD1  HIS 110           1HD      HIS 110  -3.466   9.025  -5.806
  871    HD2  HIS 110           2HD      HIS 110   0.401   9.923  -4.251
  872    HE1  HIS 110           1HE      HIS 110  -1.593   8.437  -7.424
  873    H    ALA 111           H        ALA 111  -3.088  12.002  -1.034
  874    HA   ALA 111           HA       ALA 111  -6.037  11.916  -0.642
  875   1HB   ALA 111          1HB       ALA 111  -5.734  12.970   1.598
  876   2HB   ALA 111          2HB       ALA 111  -4.312  11.737   1.256
  877   3HB   ALA 111          3HB       ALA 111  -4.072  13.571   1.089
  878    H    THR 112           H        THR 112  -4.189  14.861  -1.356
  879    HA   THR 112           HA       THR 112  -6.506  16.689  -1.363
  880    HB   THR 112           HB       THR 112  -3.669  17.031  -2.640
  881    HG1  THR 112           1HG      THR 112  -3.246  17.058  -0.784
  882   1HG2  THR 112          1HG2      THR 112  -5.348  18.565  -3.635
  883   2HG2  THR 112          2HG2      THR 112  -6.017  19.005  -2.021
  884   3HG2  THR 112          3HG2      THR 112  -4.388  19.507  -2.434
  885    H    ALA 113           H        ALA 113  -4.587  15.878  -4.142
  886    HA   ALA 113           HA       ALA 113  -6.220  16.225  -6.267
  887   1HB   ALA 113          1HB       ALA 113  -4.448  13.793  -5.910
  888   2HB   ALA 113          2HB       ALA 113  -4.850  14.364  -7.482
  889   3HB   ALA 113          3HB       ALA 113  -3.753  15.306  -6.314
  890    HXT  ALA 113           HO       ALA 113  -9.074  14.392  -6.225
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1 -13.008  11.277  15.288
    2   2H    ALA   1          2H        ALA   1 -14.274  10.403  15.573
    3    HA   ALA   1           HA       ALA   1 -11.486   9.571  16.120
    4   1HB   ALA   1          1HB       ALA   1 -12.606   7.522  17.249
    5   2HB   ALA   1          2HB       ALA   1 -12.842   9.057  18.102
    6   3HB   ALA   1          3HB       ALA   1 -14.177   8.309  17.085
    7    H    GLU   2           H        GLU   2 -10.884   9.303  14.223
    8    HA   GLU   2           HA       GLU   2 -11.828   7.129  12.529
    9   1HB   GLU   2          1HB       GLU   2 -13.628   8.793  11.740
   10   2HB   GLU   2          2HB       GLU   2 -12.349   9.808  11.203
   11   1HG   GLU   2          1HG       GLU   2 -11.756   7.767   9.625
   12   2HG   GLU   2          2HG       GLU   2 -13.148   7.111  10.333
   13    HE2  GLU   2           HE       GLU   2 -15.327   8.840   8.396
   14    H    GLU   3           H        GLU   3 -10.234   6.516  11.110
   15    HA   GLU   3           HA       GLU   3  -8.004   8.075  10.232
   16   1HB   GLU   3          1HB       GLU   3  -6.146   7.335  11.554
   17   2HB   GLU   3          2HB       GLU   3  -7.100   8.379  12.468
   18   1HG   GLU   3          1HG       GLU   3  -8.196   6.554  13.793
   19   2HG   GLU   3          2HG       GLU   3  -7.414   5.400  12.756
   20    HE2  GLU   3           HE       GLU   3  -5.052   7.154  15.627
   21    H    GLY   4           H        GLY   4  -6.268   6.478   9.807
   22   1HA   GLY   4          1HA       GLY   4  -7.263   4.576   7.727
   23   2HA   GLY   4          2HA       GLY   4  -5.480   4.974   7.924
   24    H    GLN   5           H        GLN   5  -5.431   2.469   7.758
   25    HA   GLN   5           HA       GLN   5  -5.354   1.217  10.399
   26   1HB   GLN   5          1HB       GLN   5  -7.086  -0.429  10.058
   27   2HB   GLN   5          2HB       GLN   5  -7.730   1.171  10.122
   28   1HG   GLN   5          1HG       GLN   5  -7.910   1.030   7.415
   29   2HG   GLN   5          2HG       GLN   5  -7.726  -0.703   7.747
   30   1HE2  GLN   5          1HE2      GLN   5  -9.561   2.259   8.697
   31   2HE2  GLN   5          2HE2      GLN   5 -11.101   1.345   9.049
   32    H    VAL   6           H        VAL   6  -3.403   0.335   9.834
   33    HA   VAL   6           HA       VAL   6  -2.686  -0.773   7.250
   34    HB   VAL   6           HB       VAL   6  -1.061  -0.681   9.830
   35   1HG1  VAL   6          1HG1      VAL   6   0.861  -1.358   8.660
   36   2HG1  VAL   6          2HG1      VAL   6  -0.196  -2.682   8.518
   37   3HG1  VAL   6          3HG1      VAL   6  -0.054  -1.677   7.142
   38   1HG2  VAL   6          1HG2      VAL   6  -0.604   1.047   7.344
   39   2HG2  VAL   6          2HG2      VAL   6  -1.446   1.535   8.895
   40   3HG2  VAL   6          3HG2      VAL   6   0.326   1.109   8.861
   41    H    ILE   7           H        ILE   7  -3.069  -2.867   6.716
   42    HA   ILE   7           HA       ILE   7  -3.595  -4.953   8.737
   43    HB   ILE   7           HB       ILE   7  -5.642  -3.786   7.599
   44   1HG1  ILE   7          1HG1      ILE   7  -5.999  -5.771   8.985
   45   2HG1  ILE   7          2HG1      ILE   7  -7.018  -5.738   7.626
   46   1HG2  ILE   7          1HG2      ILE   7  -6.413  -4.979   5.344
   47   2HG2  ILE   7          2HG2      ILE   7  -5.248  -3.677   5.324
   48   3HG2  ILE   7          3HG2      ILE   7  -4.752  -5.447   5.186
   49   1HD1  ILE   7          1HD1      ILE   7  -5.302  -7.518   6.624
   50   2HD1  ILE   7          2HD1      ILE   7  -4.681  -7.662   8.310
   51   3HD1  ILE   7          3HD1      ILE   7  -6.394  -8.053   7.793
   52    H    ALA   8           H        ALA   8  -2.829  -6.835   8.467
   53    HA   ALA   8           HA       ALA   8  -0.478  -7.407   6.636
   54   1HB   ALA   8          1HB       ALA   8  -0.313  -9.391   7.835
   55   2HB   ALA   8          2HB       ALA   8  -0.636  -8.157   9.111
   56   3HB   ALA   8          3HB       ALA   8  -1.880  -9.259   8.616
   57    H    CYS   9           H        CYS   9  -0.595  -8.612   4.824
   58    HA   CYS   9           HA       CYS   9  -2.994 -10.092   3.736
   59   1HB   CYS   9          1HB       CYS   9  -1.134  -7.992   2.224
   60   2HB   CYS   9          2HB       CYS   9  -2.359  -8.952   1.483
   61    HG   CYS   9           HG       CYS   9  -4.405  -8.379   3.068
   62    H    HIS  10           H        HIS  10  -2.593 -11.607   3.014
   63    HA   HIS  10           HA       HIS  10   0.002 -12.948   2.289
   64   1HB   HIS  10          1HB       HIS  10  -2.212 -14.289   4.064
   65   2HB   HIS  10          2HB       HIS  10  -0.618 -15.038   3.637
   66    HD1  HIS  10           1HD      HIS  10  -2.349 -13.633   6.341
   67    HD2  HIS  10           2HD      HIS  10   1.435 -12.607   4.741
   68    HE1  HIS  10           1HE      HIS  10  -1.010 -12.322   7.978
   69    H    THR  11           H        THR  11  -3.259 -13.346   1.283
   70    HA   THR  11           HA       THR  11  -2.389 -15.420  -0.702
   71    HB   THR  11           HB       THR  11  -4.668 -16.660  -0.050
   72    HG1  THR  11           1HG      THR  11  -5.308 -16.304   1.981
   73   1HG2  THR  11          1HG2      THR  11  -3.418 -18.063   1.542
   74   2HG2  THR  11          2HG2      THR  11  -2.222 -17.437   0.432
   75   3HG2  THR  11          3HG2      THR  11  -2.296 -16.661   1.938
   76    H    VAL  12           H        VAL  12  -4.655 -16.158  -2.065
   77    HA   VAL  12           HA       VAL  12  -5.883 -13.872  -3.347
   78    HB   VAL  12           HB       VAL  12  -5.903 -16.343  -4.089
   79   1HG1  VAL  12          1HG1      VAL  12  -8.313 -16.642  -2.384
   80   2HG1  VAL  12          2HG1      VAL  12  -7.636 -18.017  -3.346
   81   3HG1  VAL  12          3HG1      VAL  12  -6.874 -17.485  -1.920
   82   1HG2  VAL  12          1HG2      VAL  12  -8.535 -14.913  -4.089
   83   2HG2  VAL  12          2HG2      VAL  12  -7.256 -14.635  -5.262
   84   3HG2  VAL  12          3HG2      VAL  12  -8.209 -16.189  -5.306
   85    H    ASP  13           H        ASP  13  -6.421 -14.545  -0.156
   86    HA   ASP  13           HA       ASP  13  -9.204 -13.416   0.225
   87   1HB   ASP  13          1HB       ASP  13  -6.954 -13.887   2.181
   88   2HB   ASP  13          2HB       ASP  13  -8.175 -12.693   2.567
   89    HD2  ASP  13           HD       ASP  13 -10.232 -13.333   2.887
   90    H    THR  14           H        THR  14  -5.879 -12.056   0.413
   91    HA   THR  14           HA       THR  14  -6.679  -9.300   0.378
   92    HB   THR  14           HB       THR  14  -4.291 -10.386   0.680
   93    HG1  THR  14           1HG      THR  14  -3.551  -8.129   0.301
   94   1HG2  THR  14          1HG2      THR  14  -3.845  -8.899  -1.998
   95   2HG2  THR  14          2HG2      THR  14  -2.640 -10.090  -1.073
   96   3HG2  THR  14          3HG2      THR  14  -4.156 -10.678  -1.960
   97    H    TRP  15           H        TRP  15  -6.672 -11.351  -2.411
   98    HA   TRP  15           HA       TRP  15  -7.240  -9.249  -4.523
   99   1HB   TRP  15          1HB       TRP  15  -7.355 -12.234  -4.395
  100   2HB   TRP  15          2HB       TRP  15  -8.440 -11.458  -5.554
  101    HD1  TRP  15           HD       TRP  15  -4.761 -12.066  -5.153
  102    HE1  TRP  15           1HE      TRP  15  -3.545 -11.567  -7.270
  103    HE3  TRP  15           3HE      TRP  15  -8.625  -9.546  -7.135
  104    HZ2  TRP  15           2HZ      TRP  15  -4.395  -9.968  -9.817
  105    HZ3  TRP  15           3HZ      TRP  15  -8.254  -8.260  -9.325
  106    HH2  TRP  15           HH       TRP  15  -6.195  -8.574 -10.608
  107    H    LYS  16           H        LYS  16  -9.374 -11.091  -2.312
  108    HA   LYS  16           HA       LYS  16 -11.850  -9.717  -2.890
  109   1HB   LYS  16          1HB       LYS  16 -11.034 -11.041  -0.304
  110   2HB   LYS  16          2HB       LYS  16 -12.670 -10.321  -0.689
  111   1HG   LYS  16          1HG       LYS  16 -12.649 -12.013  -2.618
  112   2HG   LYS  16          2HG       LYS  16 -11.271 -12.931  -1.809
  113   1HD   LYS  16          1HD       LYS  16 -14.039 -12.403  -0.544
  114   2HD   LYS  16          2HD       LYS  16 -13.440 -13.833  -1.158
  115   1HE   LYS  16          1HE       LYS  16 -11.677 -13.981   0.722
  116   2HE   LYS  16          2HE       LYS  16 -12.041 -12.262   1.151
  117   1HZ   LYS  16          1HZ       LYS  16 -13.318 -13.676   2.633
  118   2HZ   LYS  16          2HZ       LYS  16 -14.471 -13.231   1.478
  119    H    GLU  17           H        GLU  17  -9.381  -8.987  -0.448
  120    HA   GLU  17           HA       GLU  17 -10.723  -6.653   0.768
  121   1HB   GLU  17          1HB       GLU  17  -7.857  -7.453   0.992
  122   2HB   GLU  17          2HB       GLU  17  -8.637  -6.067   1.866
  123   1HG   GLU  17          1HG       GLU  17 -10.038  -7.598   3.161
  124   2HG   GLU  17          2HG       GLU  17  -9.429  -9.040   2.198
  125    HE2  GLU  17           HE       GLU  17  -7.242  -7.020   5.023
  126    H    HIS  18           H        HIS  18  -7.995  -6.722  -1.501
  127    HA   HIS  18           HA       HIS  18  -7.468  -3.819  -1.655
  128   1HB   HIS  18          1HB       HIS  18  -5.570  -5.575  -2.148
  129   2HB   HIS  18          2HB       HIS  18  -6.455  -6.308  -3.411
  130    HD1  HIS  18           1HD      HIS  18  -5.777  -5.266  -5.859
  131    HD2  HIS  18           2HD      HIS  18  -4.674  -2.905  -2.507
  132    HE1  HIS  18           1HE      HIS  18  -4.209  -3.301  -6.515
  133    H    PHE  19           H        PHE  19  -8.512  -5.963  -4.067
  134    HA   PHE  19           HA       PHE  19  -9.486  -3.867  -5.733
  135   1HB   PHE  19          1HB       PHE  19  -8.831  -6.248  -6.412
  136   2HB   PHE  19          2HB       PHE  19 -10.549  -6.607  -6.253
  137    HD1  PHE  19           1HD      PHE  19 -12.063  -5.744  -7.997
  138    HD2  PHE  19           2HD      PHE  19  -7.926  -4.557  -8.108
  139    HE1  PHE  19           1HE      PHE  19 -12.233  -4.983 -10.307
  140    HE2  PHE  19           2HE      PHE  19  -8.261  -3.630 -10.358
  141    HZ   PHE  19           HZ       PHE  19 -10.474  -3.920 -11.480
  142    H    GLU  20           H        GLU  20 -11.636  -5.949  -3.744
  143    HA   GLU  20           HA       GLU  20 -14.002  -4.525  -4.361
  144   1HB   GLU  20          1HB       GLU  20 -13.555  -5.950  -1.669
  145   2HB   GLU  20          2HB       GLU  20 -15.090  -5.282  -2.353
  146   1HG   GLU  20          1HG       GLU  20 -13.205  -7.395  -3.663
  147   2HG   GLU  20          2HG       GLU  20 -14.480  -7.858  -2.696
  148    HE2  GLU  20           HE       GLU  20 -17.072  -6.470  -4.778
  149    H    LYS  21           H        LYS  21 -12.068  -3.655  -1.327
  150    HA   LYS  21           HA       LYS  21 -13.398  -1.125  -0.824
  151   1HB   LYS  21          1HB       LYS  21 -10.471  -1.792  -0.429
  152   2HB   LYS  21          2HB       LYS  21 -11.115  -0.322   0.034
  153   1HG   LYS  21          1HG       LYS  21 -12.176  -2.927   1.060
  154   2HG   LYS  21          2HG       LYS  21 -10.848  -2.221   1.759
  155   1HD   LYS  21          1HD       LYS  21 -12.268  -0.043   2.030
  156   2HD   LYS  21          2HD       LYS  21 -13.708  -1.038   1.500
  157   1HE   LYS  21          1HE       LYS  21 -13.778  -1.169   3.884
  158   2HE   LYS  21          2HE       LYS  21 -13.284  -2.790   3.348
  159   1HZ   LYS  21          1HZ       LYS  21 -10.850  -1.927   3.818
  160   2HZ   LYS  21          2HZ       LYS  21 -11.520  -0.687   4.647
  161    H    GLY  22           H        GLY  22 -10.430  -1.631  -2.814
  162   1HA   GLY  22          1HA       GLY  22  -9.750   1.056  -3.671
  163   2HA   GLY  22          2HA       GLY  22  -9.479  -0.462  -4.590
  164    H    LYS  23           H        LYS  23 -11.090  -1.024  -6.065
  165    HA   LYS  23           HA       LYS  23 -13.109   0.872  -7.175
  166   1HB   LYS  23          1HB       LYS  23 -11.771  -0.594  -8.709
  167   2HB   LYS  23          2HB       LYS  23 -12.541  -2.052  -8.254
  168   1HG   LYS  23          1HG       LYS  23 -14.885  -0.592  -8.706
  169   2HG   LYS  23          2HG       LYS  23 -13.717   0.355  -9.618
  170   1HD   LYS  23          1HD       LYS  23 -14.086  -2.694  -9.768
  171   2HD   LYS  23          2HD       LYS  23 -14.937  -1.574 -10.885
  172   1HE   LYS  23          1HE       LYS  23 -11.906  -1.917 -10.820
  173   2HE   LYS  23          2HE       LYS  23 -12.895  -2.798 -11.820
  174   1HZ   LYS  23          1HZ       LYS  23 -13.777  -0.530 -12.424
  175   2HZ   LYS  23          2HZ       LYS  23 -12.574   0.179 -11.583
  176    H    GLY  24           H        GLY  24 -14.573   0.914  -6.047
  177   1HA   GLY  24          1HA       GLY  24 -16.783  -0.489  -5.848
  178   2HA   GLY  24          2HA       GLY  24 -16.047  -1.159  -4.332
  179    H    SER  25           H        SER  25 -14.779   1.305  -3.712
  180    HA   SER  25           HA       SER  25 -17.013   2.882  -2.448
  181   1HB   SER  25          1HB       SER  25 -14.397   1.632  -1.210
  182   2HB   SER  25          2HB       SER  25 -15.270   2.914  -0.280
  183    HG   SER  25           HG       SER  25 -16.337   0.557  -1.308
  184    H    GLN  26           H        GLN  26 -16.631   4.794  -2.326
  185    HA   GLN  26           HA       GLN  26 -14.722   6.505  -4.000
  186   1HB   GLN  26          1HB       GLN  26 -16.818   7.614  -2.282
  187   2HB   GLN  26          2HB       GLN  26 -15.717   8.489  -3.219
  188   1HG   GLN  26          1HG       GLN  26 -17.723   8.439  -4.390
  189   2HG   GLN  26          2HG       GLN  26 -16.625   7.417  -5.361
  190   1HE2  GLN  26          1HE2      GLN  26 -17.772   5.756  -6.276
  191   2HE2  GLN  26          2HE2      GLN  26 -19.408   5.357  -5.536
  192    H    LYS  27           H        LYS  27 -13.053   5.458  -2.753
  193    HA   LYS  27           HA       LYS  27 -11.769   7.452  -0.987
  194   1HB   LYS  27          1HB       LYS  27 -11.238   5.742   0.736
  195   2HB   LYS  27          2HB       LYS  27 -12.967   5.775   0.636
  196   1HG   LYS  27          1HG       LYS  27 -12.970   3.595  -0.692
  197   2HG   LYS  27          2HG       LYS  27 -11.113   3.611  -0.694
  198   1HD   LYS  27          1HD       LYS  27 -12.210   2.157   0.824
  199   2HD   LYS  27          2HD       LYS  27 -11.200   3.247   1.733
  200   1HE   LYS  27          1HE       LYS  27 -12.913   4.056   3.018
  201   2HE   LYS  27          2HE       LYS  27 -14.080   4.178   1.685
  202   1HZ   LYS  27          1HZ       LYS  27 -14.225   2.349   3.558
  203   2HZ   LYS  27          2HZ       LYS  27 -14.770   2.112   1.976
  204    H    LEU  28           H        LEU  28  -9.641   6.521  -0.303
  205    HA   LEU  28           HA       LEU  28  -7.959   5.550  -2.628
  206   1HB   LEU  28          1HB       LEU  28  -7.627   7.874  -2.188
  207   2HB   LEU  28          2HB       LEU  28  -7.522   7.590  -0.506
  208    HG   LEU  28           HG       LEU  28  -5.316   6.506  -0.754
  209   1HD1  LEU  28          1HD1      LEU  28  -4.024   7.001  -2.989
  210   2HD1  LEU  28          2HD1      LEU  28  -5.204   5.734  -3.026
  211   3HD1  LEU  28          3HD1      LEU  28  -5.657   7.301  -3.828
  212   1HD2  LEU  28          1HD2      LEU  28  -5.641   8.926  -0.295
  213   2HD2  LEU  28          2HD2      LEU  28  -4.115   8.698  -1.040
  214   3HD2  LEU  28          3HD2      LEU  28  -5.362   9.435  -1.960
  215    H    ILE  29           H        ILE  29  -6.420   3.961  -2.224
  216    HA   ILE  29           HA       ILE  29  -5.894   2.760   0.400
  217    HB   ILE  29           HB       ILE  29  -6.331   0.527  -0.127
  218   1HG1  ILE  29          1HG1      ILE  29  -7.501   0.707  -2.970
  219   2HG1  ILE  29          2HG1      ILE  29  -5.735   0.504  -2.515
  220   1HG2  ILE  29          1HG2      ILE  29  -8.822   0.360  -0.608
  221   2HG2  ILE  29          2HG2      ILE  29  -8.538   1.814   0.496
  222   3HG2  ILE  29          3HG2      ILE  29  -8.781   1.989  -1.304
  223   1HD1  ILE  29          1HD1      ILE  29  -6.825  -1.505  -3.106
  224   2HD1  ILE  29          2HD1      ILE  29  -6.283  -1.593  -1.385
  225   3HD1  ILE  29          3HD1      ILE  29  -8.074  -1.269  -1.675
  226    H    VAL  30           H        VAL  30  -4.211   2.151   0.615
  227    HA   VAL  30           HA       VAL  30  -2.101   2.493  -1.378
  228    HB   VAL  30           HB       VAL  30  -1.852   3.393   1.485
  229   1HG1  VAL  30          1HG1      VAL  30  -0.039   4.239  -0.619
  230   2HG1  VAL  30          2HG1      VAL  30   0.135   4.532   1.167
  231   3HG1  VAL  30          3HG1      VAL  30   0.485   2.993   0.542
  232   1HG2  VAL  30          1HG2      VAL  30  -1.967   5.850   0.532
  233   2HG2  VAL  30          2HG2      VAL  30  -2.246   5.171  -0.990
  234   3HG2  VAL  30          3HG2      VAL  30  -3.419   4.985   0.473
  235    H    VAL  31           H        VAL  31  -0.214   1.078  -1.219
  236    HA   VAL  31           HA       VAL  31  -0.391  -1.175   0.541
  237    HB   VAL  31           HB       VAL  31  -2.015  -1.889  -0.668
  238   1HG1  VAL  31          1HG1      VAL  31  -1.977  -0.907  -2.622
  239   2HG1  VAL  31          2HG1      VAL  31  -0.497  -1.710  -3.292
  240   3HG1  VAL  31          3HG1      VAL  31  -1.953  -2.712  -3.035
  241   1HG2  VAL  31          1HG2      VAL  31  -1.436  -4.185  -1.309
  242   2HG2  VAL  31          2HG2      VAL  31   0.417  -3.798  -1.392
  243   3HG2  VAL  31          3HG2      VAL  31  -0.450  -3.760   0.108
  244    H    ASP  32           H        ASP  32   1.376  -1.846   1.111
  245    HA   ASP  32           HA       ASP  32   3.893  -1.328  -0.210
  246   1HB   ASP  32          1HB       ASP  32   3.685  -0.862   2.104
  247   2HB   ASP  32          2HB       ASP  32   3.518  -2.552   2.557
  248    HD2  ASP  32           HD       ASP  32   7.118  -1.371   1.165
  249    H    PHE  33           H        PHE  33   4.925  -2.979  -1.543
  250    HA   PHE  33           HA       PHE  33   4.166  -5.807  -1.457
  251   1HB   PHE  33          1HB       PHE  33   5.004  -3.643  -3.621
  252   2HB   PHE  33          2HB       PHE  33   5.318  -5.390  -3.992
  253    HD1  PHE  33           1HD      PHE  33   3.580  -7.022  -3.645
  254    HD2  PHE  33           2HD      PHE  33   2.818  -2.921  -4.496
  255    HE1  PHE  33           1HE      PHE  33   1.148  -7.514  -3.909
  256    HE2  PHE  33           2HE      PHE  33   0.267  -3.574  -4.935
  257    HZ   PHE  33           HZ       PHE  33  -0.388  -5.755  -4.603
  258    H    THR  34           H        THR  34   5.804  -6.672  -0.389
  259    HA   THR  34           HA       THR  34   8.482  -5.727  -0.436
  260    HB   THR  34           HB       THR  34   7.493  -4.013   1.007
  261    HG1  THR  34           1HG      THR  34   9.750  -5.161   1.305
  262   1HG2  THR  34          1HG2      THR  34   5.842  -5.524   2.273
  263   2HG2  THR  34          2HG2      THR  34   7.289  -6.325   3.149
  264   3HG2  THR  34          3HG2      THR  34   6.844  -4.577   3.298
  265    H    ALA  35           H        ALA  35   9.746  -7.161   0.279
  266    HA   ALA  35           HA       ALA  35   8.977  -9.961   0.855
  267   1HB   ALA  35          1HB       ALA  35  10.586  -9.195  -0.968
  268   2HB   ALA  35          2HB       ALA  35  11.689  -8.787   0.402
  269   3HB   ALA  35          3HB       ALA  35  11.275 -10.397   0.208
  270    H    SER  36           H        SER  36   9.034 -10.784   2.769
  271    HA   SER  36           HA       SER  36   9.297  -9.483   5.252
  272   1HB   SER  36          1HB       SER  36   8.358 -11.715   4.792
  273   2HB   SER  36          2HB       SER  36   9.979 -12.448   4.577
  274    HG   SER  36           HG       SER  36  10.233 -11.289   6.801
  275    H    TRP  37           H        TRP  37  12.164 -11.260   3.664
  276    HA   TRP  37           HA       TRP  37  14.152 -10.183   5.418
  277   1HB   TRP  37          1HB       TRP  37  15.647 -11.048   3.617
  278   2HB   TRP  37          2HB       TRP  37  14.532 -12.257   4.246
  279    HD1  TRP  37           HD       TRP  37  12.676 -13.466   2.826
  280    HE1  TRP  37           1HE      TRP  37  11.950 -13.574   0.306
  281    HE3  TRP  37           3HE      TRP  37  16.150 -10.253   1.229
  282    HZ2  TRP  37           2HZ      TRP  37  12.958 -12.353  -2.023
  283    HZ3  TRP  37           3HZ      TRP  37  16.248  -9.676  -1.297
  284    HH2  TRP  37           HH       TRP  37  14.588 -10.559  -2.785
  285    H    CYS  38           H        CYS  38  13.643  -8.058   5.622
  286    HA   CYS  38           HA       CYS  38  14.975  -6.162   3.913
  287   1HB   CYS  38          1HB       CYS  38  12.885  -6.438   2.415
  288   2HB   CYS  38          2HB       CYS  38  11.880  -5.953   3.810
  289    HG   CYS  38           HG       CYS  38  13.463  -4.264   1.723
  290    HA   PRO  39           HA       PRO  39  14.684  -4.518   8.289
  291   1HB   PRO  39          1HB       PRO  39  17.387  -3.494   7.250
  292   2HB   PRO  39          2HB       PRO  39  17.098  -3.978   8.887
  293   1HG   PRO  39          1HG       PRO  39  18.419  -5.597   7.201
  294   2HG   PRO  39          2HG       PRO  39  17.303  -6.286   8.507
  295   1HD   PRO  39          1HD       PRO  39  16.971  -5.866   5.548
  296   2HD   PRO  39          2HD       PRO  39  16.303  -7.199   6.442
  297    HA   PRO  40           HA       PRO  40  14.686  -0.076   5.762
  298   1HB   PRO  40          1HB       PRO  40  14.093  -1.279   3.167
  299   2HB   PRO  40          2HB       PRO  40  14.900   0.277   3.540
  300   1HG   PRO  40          1HG       PRO  40  16.372  -1.936   2.672
  301   2HG   PRO  40          2HG       PRO  40  16.909  -0.781   3.982
  302   1HD   PRO  40          1HD       PRO  40  15.878  -3.616   4.318
  303   2HD   PRO  40          2HD       PRO  40  17.154  -2.694   5.209
  304    H    CYS  41           H        CYS  41  12.583  -2.621   4.432
  305    HA   CYS  41           HA       CYS  41  10.216  -1.022   5.093
  306   1HB   CYS  41          1HB       CYS  41  10.287  -3.773   3.947
  307   2HB   CYS  41          2HB       CYS  41   8.852  -2.955   4.243
  308    HG   CYS  41           HG       CYS  41  11.251  -1.653   2.421
  309    H    LYS  42           H        LYS  42  11.771  -3.617   6.845
  310    HA   LYS  42           HA       LYS  42   9.948  -3.971   8.889
  311   1HB   LYS  42          1HB       LYS  42  12.230  -5.074   8.629
  312   2HB   LYS  42          2HB       LYS  42  12.974  -3.659   9.211
  313   1HG   LYS  42          1HG       LYS  42  11.359  -4.025  11.424
  314   2HG   LYS  42          2HG       LYS  42  10.775  -5.428  10.614
  315   1HD   LYS  42          1HD       LYS  42  13.100  -6.473  10.493
  316   2HD   LYS  42          2HD       LYS  42  13.716  -4.929  11.223
  317   1HE   LYS  42          1HE       LYS  42  13.619  -6.671  12.795
  318   2HE   LYS  42          2HE       LYS  42  12.384  -5.622  13.433
  319   1HZ   LYS  42          1HZ       LYS  42  11.063  -7.400  11.617
  320   2HZ   LYS  42          2HZ       LYS  42  12.124  -8.367  12.513
  321    H    MET  43           H        MET  43  12.069  -1.190   8.534
  322    HA   MET  43           HA       MET  43  11.117   0.440  10.892
  323   1HB   MET  43          1HB       MET  43  12.525   2.207  10.302
  324   2HB   MET  43          2HB       MET  43  13.500   0.751  10.423
  325   1HG   MET  43          1HG       MET  43  13.793   0.764   7.969
  326   2HG   MET  43          2HG       MET  43  12.687   2.254   7.870
  327   1HE   MET  43          1HE       MET  43  15.312   2.242   6.396
  328   2HE   MET  43          2HE       MET  43  14.758   3.895   6.675
  329   3HE   MET  43          3HE       MET  43  16.426   3.366   7.086
  330    H    ILE  44           H        ILE  44  10.446   0.334   7.382
  331    HA   ILE  44           HA       ILE  44   8.611   2.517   7.366
  332    HB   ILE  44           HB       ILE  44   9.852   1.212   5.317
  333   1HG1  ILE  44          1HG1      ILE  44   8.613   2.426   3.722
  334   2HG1  ILE  44          2HG1      ILE  44   7.377   2.976   4.929
  335   1HG2  ILE  44          1HG2      ILE  44   6.973   0.383   4.756
  336   2HG2  ILE  44          2HG2      ILE  44   8.373  -0.141   3.882
  337   3HG2  ILE  44          3HG2      ILE  44   8.087  -0.702   5.489
  338   1HD1  ILE  44          1HD1      ILE  44  10.444   3.502   4.849
  339   2HD1  ILE  44          2HD1      ILE  44   9.250   4.642   4.271
  340   3HD1  ILE  44          3HD1      ILE  44   9.360   4.179   6.036
  341    H    ALA  45           H        ALA  45   7.878  -0.860   7.927
  342    HA   ALA  45           HA       ALA  45   5.171  -0.653   8.226
  343   1HB   ALA  45          1HB       ALA  45   6.959  -2.440   9.907
  344   2HB   ALA  45          2HB       ALA  45   5.161  -2.555   9.842
  345   3HB   ALA  45          3HB       ALA  45   6.136  -2.839   8.335
  346    HA   PRO  46           HA       PRO  46   5.266   1.837  12.479
  347   1HB   PRO  46          1HB       PRO  46   8.377   2.317  12.502
  348   2HB   PRO  46          2HB       PRO  46   7.311   2.474  13.857
  349   1HG   PRO  46          1HG       PRO  46   8.688   0.410  13.596
  350   2HG   PRO  46          2HG       PRO  46   6.926   0.169  13.940
  351   1HD   PRO  46          1HD       PRO  46   8.319  -0.179  11.225
  352   2HD   PRO  46          2HD       PRO  46   7.141  -1.197  11.933
  353    H    ILE  47           H        ILE  47   7.322   2.973   9.872
  354    HA   ILE  47           HA       ILE  47   6.238   5.659   9.929
  355    HB   ILE  47           HB       ILE  47   7.827   4.483   7.699
  356   1HG1  ILE  47          1HG1      ILE  47   9.226   4.727   9.668
  357   2HG1  ILE  47          2HG1      ILE  47   9.670   5.736   8.400
  358   1HG2  ILE  47          1HG2      ILE  47   6.300   6.258   6.975
  359   2HG2  ILE  47          2HG2      ILE  47   7.283   7.506   7.826
  360   3HG2  ILE  47          3HG2      ILE  47   7.914   6.458   6.467
  361   1HD1  ILE  47          1HD1      ILE  47   9.771   6.774  10.681
  362   2HD1  ILE  47          2HD1      ILE  47   8.559   7.751   9.690
  363   3HD1  ILE  47          3HD1      ILE  47   7.992   6.502  10.886
  364    H    PHE  48           H        PHE  48   5.200   3.029   7.910
  365    HA   PHE  48           HA       PHE  48   2.834   4.173   6.655
  366   1HB   PHE  48          1HB       PHE  48   4.146   2.077   6.106
  367   2HB   PHE  48          2HB       PHE  48   3.388   1.281   7.563
  368    HD1  PHE  48           1HD      PHE  48   2.101  -0.351   6.424
  369    HD2  PHE  48           2HD      PHE  48   2.313   3.485   4.529
  370    HE1  PHE  48           1HE      PHE  48   0.957  -1.324   4.465
  371    HE2  PHE  48           2HE      PHE  48   1.218   2.569   2.593
  372    HZ   PHE  48           HZ       PHE  48   0.628   0.084   2.617
  373    H    ALA  49           H        ALA  49   3.048   2.651   9.976
  374    HA   ALA  49           HA       ALA  49   0.246   2.939  10.679
  375   1HB   ALA  49          1HB       ALA  49   1.567   1.304  11.898
  376   2HB   ALA  49          2HB       ALA  49   2.613   2.552  12.569
  377   3HB   ALA  49          3HB       ALA  49   0.866   2.485  12.914
  378    H    GLU  50           H        GLU  50   3.079   5.171  11.310
  379    HA   GLU  50           HA       GLU  50   1.576   6.991  12.968
  380   1HB   GLU  50          1HB       GLU  50   4.188   6.743  12.660
  381   2HB   GLU  50          2HB       GLU  50   4.030   7.613  11.148
  382   1HG   GLU  50          1HG       GLU  50   2.900   9.484  12.513
  383   2HG   GLU  50          2HG       GLU  50   3.307   8.705  14.033
  384    HE2  GLU  50           HE       GLU  50   5.753  11.331  12.556
  385    H    LEU  51           H        LEU  51   2.392   6.917   9.552
  386    HA   LEU  51           HA       LEU  51   1.053   9.285   8.566
  387   1HB   LEU  51          1HB       LEU  51   2.724   8.561   7.330
  388   2HB   LEU  51          2HB       LEU  51   2.188   6.901   7.396
  389    HG   LEU  51           HG       LEU  51   2.388   8.306   5.242
  390   1HD1  LEU  51          1HD1      LEU  51   0.475   7.092   4.075
  391   2HD1  LEU  51          2HD1      LEU  51   1.535   6.126   5.130
  392   3HD1  LEU  51          3HD1      LEU  51  -0.096   6.457   5.614
  393   1HD2  LEU  51          1HD2      LEU  51   0.931  10.314   6.140
  394   2HD2  LEU  51          2HD2      LEU  51   0.345   9.690   4.594
  395   3HD2  LEU  51          3HD2      LEU  51  -0.524   9.205   6.071
  396    H    ALA  52           H        ALA  52  -0.105   5.942   8.922
  397    HA   ALA  52           HA       ALA  52  -2.801   6.049   7.863
  398   1HB   ALA  52          1HB       ALA  52  -1.692   3.865   8.238
  399   2HB   ALA  52          2HB       ALA  52  -1.686   4.184  10.070
  400   3HB   ALA  52          3HB       ALA  52  -3.173   3.982   9.160
  401    H    LYS  53           H        LYS  53  -1.399   6.835  10.951
  402    HA   LYS  53           HA       LYS  53  -3.873   7.549  12.275
  403   1HB   LYS  53          1HB       LYS  53  -1.051   8.247  13.084
  404   2HB   LYS  53          2HB       LYS  53  -2.427   8.777  14.105
  405   1HG   LYS  53          1HG       LYS  53  -3.111   6.401  14.353
  406   2HG   LYS  53          2HG       LYS  53  -1.821   5.828  13.377
  407   1HD   LYS  53          1HD       LYS  53  -0.135   6.668  14.939
  408   2HD   LYS  53          2HD       LYS  53  -1.378   7.207  16.151
  409   1HE   LYS  53          1HE       LYS  53  -2.321   4.917  16.483
  410   2HE   LYS  53          2HE       LYS  53  -1.258   4.262  15.300
  411   1HZ   LYS  53          1HZ       LYS  53  -0.151   3.911  17.338
  412   2HZ   LYS  53          2HZ       LYS  53   0.566   5.190  16.611
  413    H    LYS  54           H        LYS  54  -1.695   9.389  10.336
  414    HA   LYS  54           HA       LYS  54  -2.608  12.116  10.940
  415   1HB   LYS  54          1HB       LYS  54  -0.288  11.554  10.046
  416   2HB   LYS  54          2HB       LYS  54  -1.065  11.023   8.600
  417   1HG   LYS  54          1HG       LYS  54  -1.819  13.193   7.885
  418   2HG   LYS  54          2HG       LYS  54  -1.580  13.849   9.486
  419   1HD   LYS  54          1HD       LYS  54   0.664  12.681   7.759
  420   2HD   LYS  54          2HD       LYS  54   0.096  14.420   7.614
  421   1HE   LYS  54          1HE       LYS  54   0.937  14.675  10.060
  422   2HE   LYS  54          2HE       LYS  54   1.236  12.965  10.051
  423   1HZ   LYS  54          1HZ       LYS  54   2.892  14.752   9.637
  424   2HZ   LYS  54          2HZ       LYS  54   3.000  13.509   8.450
  425    H    PHE  55           H        PHE  55  -3.528   9.721   8.699
  426    HA   PHE  55           HA       PHE  55  -5.317  11.416   6.955
  427   1HB   PHE  55          1HB       PHE  55  -2.979   9.657   6.471
  428   2HB   PHE  55          2HB       PHE  55  -4.321   9.518   5.423
  429    HD1  PHE  55           1HD      PHE  55  -1.351  11.593   5.909
  430    HD2  PHE  55           2HD      PHE  55  -5.450  11.763   4.673
  431    HE1  PHE  55           1HE      PHE  55  -0.971  13.843   4.983
  432    HE2  PHE  55           2HE      PHE  55  -4.940  13.969   3.516
  433    HZ   PHE  55           HZ       PHE  55  -2.853  15.036   3.753
  434    HA   PRO  56           HA       PRO  56  -8.448   8.299   8.077
  435   1HB   PRO  56          1HB       PRO  56 -10.723   9.771   8.254
  436   2HB   PRO  56          2HB       PRO  56  -9.358   9.959   9.426
  437   1HG   PRO  56          1HG       PRO  56  -9.637  11.651   6.981
  438   2HG   PRO  56          2HG       PRO  56  -9.500  12.095   8.820
  439   1HD   PRO  56          1HD       PRO  56  -7.336  11.965   6.963
  440   2HD   PRO  56          2HD       PRO  56  -7.188  11.685   8.694
  441    H    ASN  57           H        ASN  57  -8.281   9.502   5.035
  442    HA   ASN  57           HA       ASN  57 -10.836   8.488   3.936
  443   1HB   ASN  57          1HB       ASN  57 -10.377   9.515   1.717
  444   2HB   ASN  57          2HB       ASN  57 -10.549  10.740   2.989
  445   1HD2  ASN  57          2HD2      ASN  57  -9.042  12.011   3.560
  446   2HD2  ASN  57          1HD2      ASN  57  -7.443  12.236   2.652
  447    H    VAL  58           H        VAL  58  -8.284   7.088   4.832
  448    HA   VAL  58           HA       VAL  58  -7.696   5.578   2.352
  449    HB   VAL  58           HB       VAL  58  -6.459   7.618   2.020
  450   1HG1  VAL  58          1HG1      VAL  58  -4.821   7.441   4.523
  451   2HG1  VAL  58          2HG1      VAL  58  -4.828   8.666   3.380
  452   3HG1  VAL  58          3HG1      VAL  58  -6.342   8.415   4.408
  453   1HG2  VAL  58          1HG2      VAL  58  -5.473   5.565   1.298
  454   2HG2  VAL  58          2HG2      VAL  58  -4.162   6.678   1.865
  455   3HG2  VAL  58          3HG2      VAL  58  -4.704   5.359   2.983
  456    H    THR  59           H        THR  59  -7.962   3.744   2.853
  457    HA   THR  59           HA       THR  59  -7.330   2.018   5.248
  458    HB   THR  59           HB       THR  59  -7.946   1.348   2.315
  459    HG1  THR  59           1HG      THR  59  -9.553   2.297   3.344
  460   1HG2  THR  59          1HG2      THR  59  -8.235  -0.522   4.522
  461   2HG2  THR  59          2HG2      THR  59  -8.421  -0.905   2.885
  462   3HG2  THR  59          3HG2      THR  59  -6.754  -0.703   3.623
  463    H    PHE  60           H        PHE  60  -5.558   0.733   5.236
  464    HA   PHE  60           HA       PHE  60  -3.261   0.988   3.296
  465   1HB   PHE  60          1HB       PHE  60  -2.917   1.324   6.317
  466   2HB   PHE  60          2HB       PHE  60  -1.645   1.011   5.156
  467    HD1  PHE  60           1HD      PHE  60  -1.084   2.877   3.355
  468    HD2  PHE  60           2HD      PHE  60  -4.136   3.558   6.403
  469    HE1  PHE  60           1HE      PHE  60  -0.904   5.253   3.130
  470    HE2  PHE  60           2HE      PHE  60  -4.098   5.886   5.902
  471    HZ   PHE  60           HZ       PHE  60  -2.507   6.704   4.005
  472    H    LEU  61           H        LEU  61  -2.427  -0.697   2.908
  473    HA   LEU  61           HA       LEU  61  -2.469  -3.155   4.556
  474   1HB   LEU  61          1HB       LEU  61  -3.986  -4.500   3.218
  475   2HB   LEU  61          2HB       LEU  61  -4.762  -2.932   3.197
  476    HG   LEU  61           HG       LEU  61  -3.230  -2.780   0.941
  477   1HD1  LEU  61          1HD1      LEU  61  -3.990  -5.775   1.103
  478   2HD1  LEU  61          2HD1      LEU  61  -3.324  -4.980  -0.313
  479   3HD1  LEU  61          3HD1      LEU  61  -2.339  -5.204   1.271
  480   1HD2  LEU  61          1HD2      LEU  61  -5.803  -2.504   1.108
  481   2HD2  LEU  61          2HD2      LEU  61  -5.237  -3.420  -0.274
  482   3HD2  LEU  61          3HD2      LEU  61  -6.068  -4.297   1.047
  483    H    LYS  62           H        LYS  62  -1.381  -5.088   3.637
  484    HA   LYS  62           HA       LYS  62   1.126  -4.293   2.152
  485   1HB   LYS  62          1HB       LYS  62   2.721  -4.660   3.925
  486   2HB   LYS  62          2HB       LYS  62   1.816  -3.196   3.997
  487   1HG   LYS  62          1HG       LYS  62   0.497  -4.077   5.983
  488   2HG   LYS  62          2HG       LYS  62   1.409  -5.604   5.843
  489   1HD   LYS  62          1HD       LYS  62   2.507  -2.676   6.371
  490   2HD   LYS  62          2HD       LYS  62   2.377  -3.716   7.597
  491   1HE   LYS  62          1HE       LYS  62   4.488  -3.894   5.443
  492   2HE   LYS  62          2HE       LYS  62   4.616  -3.540   7.116
  493   1HZ   LYS  62          1HZ       LYS  62   3.785  -6.149   6.008
  494   2HZ   LYS  62          2HZ       LYS  62   4.207  -5.767   7.604
  495    H    VAL  63           H        VAL  63   1.547  -5.755   1.007
  496    HA   VAL  63           HA       VAL  63   0.799  -8.710   1.188
  497    HB   VAL  63           HB       VAL  63   1.542  -6.973  -1.161
  498   1HG1  VAL  63          1HG1      VAL  63   1.695  -9.825  -0.869
  499   2HG1  VAL  63          2HG1      VAL  63   0.808  -9.315  -2.456
  500   3HG1  VAL  63          3HG1      VAL  63   2.516  -8.815  -1.989
  501   1HG2  VAL  63          1HG2      VAL  63  -1.015  -8.772  -0.561
  502   2HG2  VAL  63          2HG2      VAL  63  -0.968  -6.990  -0.295
  503   3HG2  VAL  63          3HG2      VAL  63  -0.715  -7.554  -1.940
  504    H    ASP  64           H        ASP  64   2.178 -10.015   2.022
  505    HA   ASP  64           HA       ASP  64   5.176  -9.804   1.844
  506   1HB   ASP  64          1HB       ASP  64   3.963 -10.897   3.652
  507   2HB   ASP  64          2HB       ASP  64   3.157 -12.104   2.769
  508    HD2  ASP  64           HD       ASP  64   5.516 -14.075   4.047
  509    H    VAL  65           H        VAL  65   5.872  -9.651  -0.123
  510    HA   VAL  65           HA       VAL  65   5.036 -10.702  -2.443
  511    HB   VAL  65           HB       VAL  65   6.847  -8.885  -2.044
  512   1HG1  VAL  65          1HG1      VAL  65   8.820 -10.793  -1.746
  513   2HG1  VAL  65          2HG1      VAL  65   8.629 -11.197  -3.352
  514   3HG1  VAL  65          3HG1      VAL  65   9.207  -9.521  -2.994
  515   1HG2  VAL  65          1HG2      VAL  65   7.024  -8.782  -4.572
  516   2HG2  VAL  65          2HG2      VAL  65   6.384 -10.515  -4.528
  517   3HG2  VAL  65          3HG2      VAL  65   5.473  -9.078  -3.842
  518    H    ASP  66           H        ASP  66   7.557 -12.441  -0.618
  519    HA   ASP  66           HA       ASP  66   7.845 -14.787  -2.181
  520   1HB   ASP  66          1HB       ASP  66   7.496 -14.893   0.855
  521   2HB   ASP  66          2HB       ASP  66   8.158 -16.118  -0.215
  522    HD2  ASP  66           HD       ASP  66  11.315 -15.005  -0.294
  523    H    GLU  67           H        GLU  67   4.985 -14.545  -0.056
  524    HA   GLU  67           HA       GLU  67   3.530 -16.686  -1.310
  525   1HB   GLU  67          1HB       GLU  67   2.478 -14.313   0.343
  526   2HB   GLU  67          2HB       GLU  67   1.534 -15.736  -0.005
  527   1HG   GLU  67          1HG       GLU  67   3.366 -17.191   1.043
  528   2HG   GLU  67          2HG       GLU  67   3.920 -15.694   1.660
  529    HE2  GLU  67           HE       GLU  67   0.683 -17.901   2.872
  530    H    LEU  68           H        LEU  68   3.852 -13.481  -2.834
  531    HA   LEU  68           HA       LEU  68   1.743 -13.906  -4.835
  532   1HB   LEU  68          1HB       LEU  68   1.440 -11.508  -2.834
  533   2HB   LEU  68          2HB       LEU  68   0.511 -11.736  -4.284
  534    HG   LEU  68           HG       LEU  68   0.455 -13.569  -1.837
  535   1HD1  LEU  68          1HD1      LEU  68  -1.513 -11.394  -2.869
  536   2HD1  LEU  68          2HD1      LEU  68  -1.746 -12.286  -1.347
  537   3HD1  LEU  68          3HD1      LEU  68  -0.495 -11.155  -1.507
  538   1HD2  LEU  68          1HD2      LEU  68  -1.130 -13.581  -4.327
  539   2HD2  LEU  68          2HD2      LEU  68  -0.266 -14.957  -3.650
  540   3HD2  LEU  68          3HD2      LEU  68  -1.826 -14.341  -2.930
  541    H    LYS  69           H        LYS  69   4.096 -13.730  -5.227
  542    HA   LYS  69           HA       LYS  69   5.057 -11.122  -6.292
  543   1HB   LYS  69          1HB       LYS  69   6.828 -12.162  -7.140
  544   2HB   LYS  69          2HB       LYS  69   6.893 -12.477  -5.614
  545   1HG   LYS  69          1HG       LYS  69   5.893 -14.957  -5.893
  546   2HG   LYS  69          2HG       LYS  69   5.973 -14.543  -7.594
  547   1HD   LYS  69          1HD       LYS  69   7.975 -15.594  -7.242
  548   2HD   LYS  69          2HD       LYS  69   8.547 -13.921  -7.148
  549   1HE   LYS  69          1HE       LYS  69   8.450 -13.970  -4.607
  550   2HE   LYS  69          2HE       LYS  69   8.145 -15.770  -4.701
  551   1HZ   LYS  69          1HZ       LYS  69  10.556 -15.188  -4.573
  552   2HZ   LYS  69          2HZ       LYS  69  10.157 -16.066  -5.945
  553    H    ALA  70           H        ALA  70   3.458 -13.958  -7.767
  554    HA   ALA  70           HA       ALA  70   3.518 -13.134 -10.535
  555   1HB   ALA  70          1HB       ALA  70   1.205 -14.316 -10.628
  556   2HB   ALA  70          2HB       ALA  70   2.604 -15.215  -9.966
  557   3HB   ALA  70          3HB       ALA  70   1.395 -14.661  -8.849
  558    H    VAL  71           H        VAL  71   0.767 -12.302  -8.491
  559    HA   VAL  71           HA       VAL  71  -0.095 -10.154 -10.082
  560    HB   VAL  71           HB       VAL  71  -1.550 -11.208  -8.310
  561   1HG1  VAL  71          1HG1      VAL  71  -1.518 -10.351  -5.984
  562   2HG1  VAL  71          2HG1      VAL  71   0.033 -11.366  -6.410
  563   3HG1  VAL  71          3HG1      VAL  71  -0.018  -9.567  -6.296
  564   1HG2  VAL  71          1HG2      VAL  71  -2.682  -9.086  -7.598
  565   2HG2  VAL  71          2HG2      VAL  71  -1.280  -8.128  -8.175
  566   3HG2  VAL  71          3HG2      VAL  71  -2.223  -9.058  -9.354
  567    H    ALA  72           H        ALA  72   2.073  -9.799  -7.083
  568    HA   ALA  72           HA       ALA  72   2.297  -7.011  -6.992
  569   1HB   ALA  72          1HB       ALA  72   4.986  -8.645  -6.818
  570   2HB   ALA  72          2HB       ALA  72   4.451  -7.291  -5.934
  571   3HB   ALA  72          3HB       ALA  72   3.660  -8.674  -5.513
  572    H    GLU  73           H        GLU  73   4.140  -9.023  -8.892
  573    HA   GLU  73           HA       GLU  73   5.788  -7.077 -10.469
  574   1HB   GLU  73          1HB       GLU  73   4.846  -9.996 -10.973
  575   2HB   GLU  73          2HB       GLU  73   5.510  -9.204 -12.335
  576   1HG   GLU  73          1HG       GLU  73   7.696  -8.762 -11.149
  577   2HG   GLU  73          2HG       GLU  73   7.006  -9.301  -9.650
  578    HE2  GLU  73           HE       GLU  73   5.638 -11.335 -10.657
  579    H    GLU  74           H        GLU  74   2.513  -8.643 -11.172
  580    HA   GLU  74           HA       GLU  74   2.040  -7.269 -13.685
  581   1HB   GLU  74          1HB       GLU  74   0.085  -8.342 -13.969
  582   2HB   GLU  74          2HB       GLU  74   0.741  -9.352 -12.827
  583   1HG   GLU  74          1HG       GLU  74  -0.800  -8.414 -11.029
  584   2HG   GLU  74          2HG       GLU  74  -1.362  -7.090 -12.132
  585    HE2  GLU  74           HE       GLU  74  -3.150  -7.663 -11.569
  586    H    TRP  75           H        TRP  75   1.117  -5.965 -10.612
  587    HA   TRP  75           HA       TRP  75  -0.058  -3.557 -11.761
  588   1HB   TRP  75          1HB       TRP  75   1.211  -3.556  -8.926
  589   2HB   TRP  75          2HB       TRP  75   0.005  -2.467  -9.538
  590    HD1  TRP  75           HD       TRP  75   0.435  -5.389  -7.409
  591    HE1  TRP  75           1HE      TRP  75  -1.656  -6.494  -6.647
  592    HE3  TRP  75           3HE      TRP  75  -2.285  -3.634 -11.356
  593    HZ2  TRP  75           2HZ      TRP  75  -4.148  -6.937  -8.088
  594    HZ3  TRP  75           3HZ      TRP  75  -4.374  -4.632 -11.799
  595    HH2  TRP  75           HH       TRP  75  -5.294  -6.276 -10.230
  596    H    ASN  76           H        ASN  76   3.066  -4.242 -10.390
  597    HA   ASN  76           HA       ASN  76   4.826  -3.694 -12.261
  598   1HB   ASN  76          1HB       ASN  76   3.937  -1.358 -12.816
  599   2HB   ASN  76          2HB       ASN  76   4.688  -0.801 -11.402
  600   1HD2  ASN  76          1HD2      ASN  76   5.202  -2.325 -14.547
  601   2HD2  ASN  76          2HD2      ASN  76   7.043  -1.845 -14.695
  602    H    VAL  77           H        VAL  77   5.665  -5.124 -10.513
  603    HA   VAL  77           HA       VAL  77   7.735  -3.819  -8.767
  604    HB   VAL  77           HB       VAL  77   5.888  -6.165  -7.744
  605   1HG1  VAL  77          1HG1      VAL  77   6.877  -5.723  -5.533
  606   2HG1  VAL  77          2HG1      VAL  77   8.188  -5.887  -6.685
  607   3HG1  VAL  77          3HG1      VAL  77   7.619  -4.284  -6.147
  608   1HG2  VAL  77          1HG2      VAL  77   5.567  -3.311  -7.176
  609   2HG2  VAL  77          2HG2      VAL  77   4.342  -4.250  -7.965
  610   3HG2  VAL  77          3HG2      VAL  77   4.683  -4.470  -6.227
  611    H    GLU  78           H        GLU  78   8.839  -4.366 -10.608
  612    HA   GLU  78           HA       GLU  78  10.025  -7.062 -10.635
  613   1HB   GLU  78          1HB       GLU  78  11.849  -5.819 -11.931
  614   2HB   GLU  78          2HB       GLU  78  10.390  -6.027 -12.653
  615   1HG   GLU  78          1HG       GLU  78  10.011  -3.593 -11.844
  616   2HG   GLU  78          2HG       GLU  78  11.798  -3.495 -11.687
  617    HE2  GLU  78           HE       GLU  78  12.966  -3.292 -13.408
  618    H    ALA  79           H        ALA  79  10.019  -4.494  -8.341
  619    HA   ALA  79           HA       ALA  79  12.812  -5.072  -7.501
  620   1HB   ALA  79          1HB       ALA  79  11.429  -2.396  -8.304
  621   2HB   ALA  79          2HB       ALA  79  12.920  -2.301  -7.168
  622   3HB   ALA  79          3HB       ALA  79  13.008  -2.938  -8.778
  623    H    MET  80           H        MET  80  13.046  -5.167  -5.151
  624    HA   MET  80           HA       MET  80  10.954  -4.517  -3.139
  625   1HB   MET  80          1HB       MET  80  13.618  -5.532  -2.861
  626   2HB   MET  80          2HB       MET  80  12.357  -5.484  -1.695
  627   1HG   MET  80          1HG       MET  80  11.874  -7.067  -4.297
  628   2HG   MET  80          2HG       MET  80  12.522  -7.749  -2.611
  629   1HE   MET  80          1HE       MET  80   9.679  -6.158  -4.586
  630   2HE   MET  80          2HE       MET  80   8.248  -6.656  -3.805
  631   3HE   MET  80          3HE       MET  80   8.947  -5.252  -3.282
  632    HA   PRO  81           HA       PRO  81   9.918  -2.905  -3.084
  633   1HB   PRO  81          1HB       PRO  81   9.541  -2.319  -0.246
  634   2HB   PRO  81          2HB       PRO  81  10.747  -3.465  -0.797
  635   1HG   PRO  81          1HG       PRO  81  11.188  -0.639   0.080
  636   2HG   PRO  81          2HG       PRO  81  12.331  -1.954   0.222
  637   1HD   PRO  81          1HD       PRO  81  12.233   0.081  -1.957
  638   2HD   PRO  81          2HD       PRO  81  13.445  -1.012  -1.561
  639    H    THR  82           H        THR  82   8.183  -2.379  -3.070
  640    HA   THR  82           HA       THR  82   7.707   0.371  -4.128
  641    HB   THR  82           HB       THR  82   6.519  -2.512  -4.945
  642    HG1  THR  82           1HG      THR  82   8.229  -2.749  -6.021
  643   1HG2  THR  82          1HG2      THR  82   6.798  -1.551  -7.234
  644   2HG2  THR  82          2HG2      THR  82   5.452  -1.147  -6.273
  645   3HG2  THR  82          3HG2      THR  82   6.619   0.142  -6.680
  646    H    PHE  83           H        PHE  83   5.766   1.255  -4.236
  647    HA   PHE  83           HA       PHE  83   3.622   0.586  -2.183
  648   1HB   PHE  83          1HB       PHE  83   5.030   3.297  -2.932
  649   2HB   PHE  83          2HB       PHE  83   3.614   3.179  -1.825
  650    HD1  PHE  83           1HD      PHE  83   7.078   3.743  -2.183
  651    HD2  PHE  83           2HD      PHE  83   4.434   1.427   0.262
  652    HE1  PHE  83           1HE      PHE  83   9.099   3.110  -0.638
  653    HE2  PHE  83           2HE      PHE  83   6.285   0.909   1.784
  654    HZ   PHE  83           HZ       PHE  83   8.550   1.880   1.446
  655    H    ILE  84           H        ILE  84   1.917   0.633  -3.110
  656    HA   ILE  84           HA       ILE  84   1.348   1.751  -5.821
  657    HB   ILE  84           HB       ILE  84   1.220  -1.101  -5.133
  658   1HG1  ILE  84          1HG1      ILE  84   1.450   0.265  -8.075
  659   2HG1  ILE  84          2HG1      ILE  84   2.866   0.430  -6.882
  660   1HG2  ILE  84          1HG2      ILE  84  -0.617   0.019  -7.229
  661   2HG2  ILE  84          2HG2      ILE  84  -0.320  -1.610  -7.007
  662   3HG2  ILE  84          3HG2      ILE  84  -1.259  -0.793  -5.716
  663   1HD1  ILE  84          1HD1      ILE  84   3.271  -1.780  -6.310
  664   2HD1  ILE  84          2HD1      ILE  84   1.959  -2.329  -7.235
  665   3HD1  ILE  84          3HD1      ILE  84   3.107  -1.432  -8.146
  666    H    PHE  85           H        PHE  85  -0.417   2.506  -6.336
  667    HA   PHE  85           HA       PHE  85  -2.292   3.345  -4.113
  668   1HB   PHE  85          1HB       PHE  85  -1.095   4.945  -6.378
  669   2HB   PHE  85          2HB       PHE  85  -2.301   5.590  -5.310
  670    HD1  PHE  85           1HD      PHE  85   1.106   4.152  -4.774
  671    HD2  PHE  85           2HD      PHE  85  -1.852   7.156  -3.647
  672    HE1  PHE  85           1HE      PHE  85   2.624   5.163  -2.848
  673    HE2  PHE  85           2HE      PHE  85  -0.496   7.844  -1.795
  674    HZ   PHE  85           HZ       PHE  85   1.671   6.971  -1.514
  675    H    LEU  86           H        LEU  86  -3.953   2.402  -4.694
  676    HA   LEU  86           HA       LEU  86  -5.356   2.338  -7.368
  677   1HB   LEU  86          1HB       LEU  86  -4.332   0.158  -6.202
  678   2HB   LEU  86          2HB       LEU  86  -5.584   0.286  -5.016
  679    HG   LEU  86           HG       LEU  86  -6.295  -1.444  -6.510
  680   1HD1  LEU  86          1HD1      LEU  86  -8.250  -0.663  -7.676
  681   2HD1  LEU  86          2HD1      LEU  86  -8.236   0.292  -6.100
  682   3HD1  LEU  86          3HD1      LEU  86  -7.835   0.962  -7.720
  683   1HD2  LEU  86          1HD2      LEU  86  -5.176   0.156  -8.805
  684   2HD2  LEU  86          2HD2      LEU  86  -4.797  -1.347  -8.189
  685   3HD2  LEU  86          3HD2      LEU  86  -6.393  -1.061  -8.910
  686    H    LYS  87           H        LYS  87  -7.034   3.369  -7.171
  687    HA   LYS  87           HA       LYS  87  -8.580   4.401  -4.750
  688   1HB   LYS  87          1HB       LYS  87  -7.064   6.081  -6.071
  689   2HB   LYS  87          2HB       LYS  87  -8.319   5.796  -7.349
  690   1HG   LYS  87          1HG       LYS  87  -9.818   7.024  -5.804
  691   2HG   LYS  87          2HG       LYS  87  -8.768   6.709  -4.433
  692   1HD   LYS  87          1HD       LYS  87  -7.135   8.393  -5.266
  693   2HD   LYS  87          2HD       LYS  87  -7.921   8.508  -6.778
  694   1HE   LYS  87          1HE       LYS  87  -9.127  10.370  -5.688
  695   2HE   LYS  87          2HE       LYS  87 -10.049   8.995  -5.241
  696   1HZ   LYS  87          1HZ       LYS  87  -8.878   8.903  -3.121
  697   2HZ   LYS  87          2HZ       LYS  87  -7.781   9.981  -3.674
  698    H    ASP  88           H        ASP  88 -10.919   4.846  -5.419
  699    HA   ASP  88           HA       ASP  88 -12.399   3.445  -7.235
  700   1HB   ASP  88          1HB       ASP  88 -14.193   5.026  -6.952
  701   2HB   ASP  88          2HB       ASP  88 -13.384   4.824  -5.479
  702    HD2  ASP  88           HD       ASP  88 -12.869   8.367  -5.243
  703    H    GLY  89           H        GLY  89 -10.265   3.834  -8.827
  704   1HA   GLY  89          1HA       GLY  89 -11.569   3.907 -11.371
  705   2HA   GLY  89          2HA       GLY  89 -10.690   5.434 -11.092
  706    H    LYS  90           H        LYS  90 -10.009   2.231 -10.146
  707    HA   LYS  90           HA       LYS  90  -8.128   0.852 -10.142
  708   1HB   LYS  90          1HB       LYS  90  -9.007   0.996 -12.856
  709   2HB   LYS  90          2HB       LYS  90  -7.292   1.325 -13.093
  710   1HG   LYS  90          1HG       LYS  90  -6.520  -0.683 -12.241
  711   2HG   LYS  90          2HG       LYS  90  -8.020  -1.301 -11.548
  712   1HD   LYS  90          1HD       LYS  90  -7.675  -0.637 -14.559
  713   2HD   LYS  90          2HD       LYS  90  -7.178  -2.162 -13.802
  714   1HE   LYS  90          1HE       LYS  90  -9.447  -2.776 -13.254
  715   2HE   LYS  90          2HE       LYS  90 -10.247  -1.231 -13.707
  716   1HZ   LYS  90          1HZ       LYS  90  -9.846  -1.606 -15.882
  717   2HZ   LYS  90          2HZ       LYS  90 -10.397  -3.040 -15.279
  718    H    LEU  91           H        LEU  91  -5.781   0.771 -11.406
  719    HA   LEU  91           HA       LEU  91  -3.996   1.786  -9.522
  720   1HB   LEU  91          1HB       LEU  91  -3.574  -0.046 -11.143
  721   2HB   LEU  91          2HB       LEU  91  -3.579   1.068 -12.474
  722    HG   LEU  91           HG       LEU  91  -1.563   2.221 -11.660
  723   1HD1  LEU  91          1HD1      LEU  91  -0.135   0.902  -9.821
  724   2HD1  LEU  91          2HD1      LEU  91  -1.612   1.690  -9.270
  725   3HD1  LEU  91          3HD1      LEU  91  -1.458  -0.010  -9.405
  726   1HD2  LEU  91          1HD2      LEU  91   0.069   0.334 -12.354
  727   2HD2  LEU  91          2HD2      LEU  91  -1.116  -0.846 -12.053
  728   3HD2  LEU  91          3HD2      LEU  91  -1.292   0.265 -13.495
  729    H    VAL  92           H        VAL  92  -4.632   3.885  -9.226
  730    HA   VAL  92           HA       VAL  92  -4.020   6.111 -10.910
  731    HB   VAL  92           HB       VAL  92  -4.146   7.686  -9.135
  732   1HG1  VAL  92          1HG1      VAL  92  -6.547   7.243  -8.518
  733   2HG1  VAL  92          2HG1      VAL  92  -6.425   6.640 -10.084
  734   3HG1  VAL  92          3HG1      VAL  92  -6.380   5.524  -8.891
  735   1HG2  VAL  92          1HG2      VAL  92  -4.605   5.587  -6.971
  736   2HG2  VAL  92          2HG2      VAL  92  -2.963   6.114  -7.137
  737   3HG2  VAL  92          3HG2      VAL  92  -4.211   7.331  -6.760
  738    H    ASP  93           H        ASP  93  -1.759   4.451  -8.915
  739    HA   ASP  93           HA       ASP  93   0.500   5.834  -9.978
  740   1HB   ASP  93          1HB       ASP  93  -0.420   7.756  -8.234
  741   2HB   ASP  93          2HB       ASP  93   0.267   6.773  -6.922
  742    HD2  ASP  93           HD       ASP  93   0.660   8.154 -10.026
  743    H    LYS  94           H        LYS  94   2.768   5.580  -8.889
  744    HA   LYS  94           HA       LYS  94   3.025   3.061  -7.295
  745   1HB   LYS  94          1HB       LYS  94   4.162   1.834  -8.930
  746   2HB   LYS  94          2HB       LYS  94   2.429   2.048  -9.249
  747   1HG   LYS  94          1HG       LYS  94   4.910   3.346 -10.873
  748   2HG   LYS  94          2HG       LYS  94   4.004   2.113 -11.401
  749   1HD   LYS  94          1HD       LYS  94   3.062   4.917 -11.088
  750   2HD   LYS  94          2HD       LYS  94   3.579   4.072 -12.485
  751   1HE   LYS  94          1HE       LYS  94   1.656   2.589 -12.394
  752   2HE   LYS  94          2HE       LYS  94   1.066   3.350 -10.908
  753   1HZ   LYS  94          1HZ       LYS  94   1.162   4.353 -13.633
  754   2HZ   LYS  94          2HZ       LYS  94  -0.071   4.466 -12.458
  755    H    THR  95           H        THR  95   5.376   2.869  -6.757
  756    HA   THR  95           HA       THR  95   7.271   4.856  -7.432
  757    HB   THR  95           HB       THR  95   5.749   5.226  -4.844
  758    HG1  THR  95           1HG      THR  95   5.130   6.342  -6.435
  759   1HG2  THR  95          1HG2      THR  95   8.228   5.581  -3.917
  760   2HG2  THR  95          2HG2      THR  95   8.723   6.253  -5.445
  761   3HG2  THR  95          3HG2      THR  95   7.683   6.989  -4.215
  762    H    VAL  96           H        VAL  96   9.104   4.093  -6.346
  763    HA   VAL  96           HA       VAL  96   9.126   1.548  -4.682
  764    HB   VAL  96           HB       VAL  96   9.032   0.790  -6.661
  765   1HG1  VAL  96          1HG1      VAL  96   9.805   2.444  -8.271
  766   2HG1  VAL  96          2HG1      VAL  96  11.337   2.297  -7.852
  767   3HG1  VAL  96          3HG1      VAL  96  10.657   0.886  -8.639
  768   1HG2  VAL  96          1HG2      VAL  96  10.597  -0.992  -6.397
  769   2HG2  VAL  96          2HG2      VAL  96  11.949   0.148  -6.453
  770   3HG2  VAL  96          3HG2      VAL  96  10.912  -0.108  -4.928
  771    H    GLY  97           H        GLY  97  10.198   2.261  -3.044
  772   1HA   GLY  97          1HA       GLY  97  12.620   2.090  -2.410
  773   2HA   GLY  97          2HA       GLY  97  12.795   3.852  -2.932
  774    H    ALA  98           H        ALA  98  12.699   1.942  -0.316
  775    HA   ALA  98           HA       ALA  98  10.555   2.916   1.522
  776   1HB   ALA  98          1HB       ALA  98  11.579   0.571   2.066
  777   2HB   ALA  98          2HB       ALA  98  13.184   1.353   2.294
  778   3HB   ALA  98          3HB       ALA  98  11.666   1.757   3.275
  779    H    ASP  99           H        ASP  99  10.575   4.850   2.734
  780    HA   ASP  99           HA       ASP  99  13.022   6.076   3.591
  781   1HB   ASP  99          1HB       ASP  99  12.904   6.759   1.155
  782   2HB   ASP  99          2HB       ASP  99  11.351   7.642   1.401
  783    HD2  ASP  99           HD       ASP  99  13.473  10.354   1.648
  784    H    LYS 100           H        LYS 100  12.526   6.948   5.474
  785    HA   LYS 100           HA       LYS 100   9.914   7.295   6.630
  786   1HB   LYS 100          1HB       LYS 100  10.813   8.411   8.493
  787   2HB   LYS 100          2HB       LYS 100  11.882   7.191   7.934
  788   1HG   LYS 100          1HG       LYS 100  13.042   9.237   6.527
  789   2HG   LYS 100          2HG       LYS 100  12.387  10.173   7.779
  790   1HD   LYS 100          1HD       LYS 100  13.617   8.730   9.634
  791   2HD   LYS 100          2HD       LYS 100  14.133   7.754   8.248
  792   1HE   LYS 100          1HE       LYS 100  15.404   9.525   7.162
  793   2HE   LYS 100          2HE       LYS 100  14.722  10.721   8.346
  794   1HZ   LYS 100          1HZ       LYS 100  15.856   9.162  10.103
  795   2HZ   LYS 100          2HZ       LYS 100  16.816   8.574   8.918
  796    H    ASP 101           H        ASP 101  11.568  10.178   5.459
  797    HA   ASP 101           HA       ASP 101   9.289  11.814   5.473
  798   1HB   ASP 101          1HB       ASP 101  10.639  13.554   4.544
  799   2HB   ASP 101          2HB       ASP 101  11.710  12.557   5.520
  800    HD2  ASP 101           HD       ASP 101  12.500  13.642   1.813
  801    H    GLY 102           H        GLY 102  10.491   9.834   2.913
  802   1HA   GLY 102          1HA       GLY 102   9.437  10.691   0.452
  803   2HA   GLY 102          2HA       GLY 102   9.641   8.991   0.874
  804    H    LEU 103           H        LEU 103   7.940   7.978   2.226
  805    HA   LEU 103           HA       LEU 103   5.558   7.876   0.748
  806   1HB   LEU 103          1HB       LEU 103   6.599   5.852   1.718
  807   2HB   LEU 103          2HB       LEU 103   6.745   6.516   3.088
  808    HG   LEU 103           HG       LEU 103   4.052   6.205   3.370
  809   1HD1  LEU 103          1HD1      LEU 103   3.185   4.422   1.760
  810   2HD1  LEU 103          2HD1      LEU 103   3.348   5.952   1.000
  811   3HD1  LEU 103          3HD1      LEU 103   4.517   4.749   0.675
  812   1HD2  LEU 103          1HD2      LEU 103   5.700   4.739   4.624
  813   2HD2  LEU 103          2HD2      LEU 103   4.404   3.631   3.857
  814   3HD2  LEU 103          3HD2      LEU 103   6.009   3.903   3.087
  815    HA   PRO 104           HA       PRO 104   3.101  10.227   4.537
  816   1HB   PRO 104          1HB       PRO 104   5.655  11.789   5.428
  817   2HB   PRO 104          2HB       PRO 104   4.222  11.196   6.353
  818   1HG   PRO 104          1HG       PRO 104   6.281   9.712   6.743
  819   2HG   PRO 104          2HG       PRO 104   4.863   8.945   6.429
  820   1HD   PRO 104          1HD       PRO 104   6.963   9.346   4.120
  821   2HD   PRO 104          2HD       PRO 104   6.275   7.952   4.753
  822    H    THR 105           H        THR 105   5.758  11.516   2.580
  823    HA   THR 105           HA       THR 105   4.430  14.131   1.924
  824    HB   THR 105           HB       THR 105   6.944  12.997   0.334
  825    HG1  THR 105           1HG      THR 105   7.438  12.953   2.434
  826   1HG2  THR 105          1HG2      THR 105   7.505  15.387  -0.038
  827   2HG2  THR 105          2HG2      THR 105   5.767  15.183  -0.585
  828   3HG2  THR 105          3HG2      THR 105   6.331  15.933   1.048
  829    H    LEU 106           H        LEU 106   5.088  11.201  -0.043
  830    HA   LEU 106           HA       LEU 106   3.584  11.858  -2.342
  831   1HB   LEU 106          1HB       LEU 106   5.272  10.291  -2.479
  832   2HB   LEU 106          2HB       LEU 106   4.461   9.193  -1.213
  833    HG   LEU 106           HG       LEU 106   2.619   8.765  -2.895
  834   1HD1  LEU 106          1HD1      LEU 106   2.729   9.046  -5.110
  835   2HD1  LEU 106          2HD1      LEU 106   2.590  10.589  -4.136
  836   3HD1  LEU 106          3HD1      LEU 106   4.215  10.146  -4.995
  837   1HD2  LEU 106          1HD2      LEU 106   4.183   6.920  -4.164
  838   2HD2  LEU 106          2HD2      LEU 106   5.389   8.192  -3.893
  839   3HD2  LEU 106          3HD2      LEU 106   4.605   7.112  -2.621
  840    H    VAL 107           H        VAL 107   2.511  10.255   0.603
  841    HA   VAL 107           HA       VAL 107  -0.315   9.715  -0.247
  842    HB   VAL 107           HB       VAL 107   1.069   9.481   2.530
  843   1HG1  VAL 107          1HG1      VAL 107  -1.590  10.195   2.700
  844   2HG1  VAL 107          2HG1      VAL 107  -1.911   8.696   1.761
  845   3HG1  VAL 107          3HG1      VAL 107  -1.151   8.665   3.380
  846   1HG2  VAL 107          1HG2      VAL 107   0.397   7.007   2.063
  847   2HG2  VAL 107          2HG2      VAL 107  -0.023   7.403   0.427
  848   3HG2  VAL 107          3HG2      VAL 107   1.578   7.533   0.902
  849    H    ALA 108           H        ALA 108   1.306  12.273   1.860
  850    HA   ALA 108           HA       ALA 108  -0.813  14.062   2.379
  851   1HB   ALA 108          1HB       ALA 108   0.727  15.860   2.359
  852   2HB   ALA 108          2HB       ALA 108   1.449  14.515   3.097
  853   3HB   ALA 108          3HB       ALA 108   1.968  14.970   1.448
  854    H    LYS 109           H        LYS 109   1.076  14.016  -0.530
  855    HA   LYS 109           HA       LYS 109  -0.607  15.855  -2.277
  856   1HB   LYS 109          1HB       LYS 109   1.416  13.638  -2.993
  857   2HB   LYS 109          2HB       LYS 109   0.622  14.673  -4.149
  858   1HG   LYS 109          1HG       LYS 109   1.503  16.793  -3.288
  859   2HG   LYS 109          2HG       LYS 109   2.196  16.026  -1.942
  860   1HD   LYS 109          1HD       LYS 109   3.833  14.616  -3.349
  861   2HD   LYS 109          2HD       LYS 109   3.230  15.558  -4.761
  862   1HE   LYS 109          1HE       LYS 109   4.221  17.628  -3.865
  863   2HE   LYS 109          2HE       LYS 109   4.582  16.909  -2.241
  864   1HZ   LYS 109          1HZ       LYS 109   6.455  16.847  -3.488
  865   2HZ   LYS 109          2HZ       LYS 109   5.971  15.306  -3.518
  866    H    HIS 110           H        HIS 110  -0.777  12.343  -1.961
  867    HA   HIS 110           HA       HIS 110  -2.927  12.103  -4.054
  868   1HB   HIS 110          1HB       HIS 110  -1.367  10.246  -2.241
  869   2HB   HIS 110          2HB       HIS 110  -2.873   9.699  -2.604
  870    HD1  HIS 110           1HD      HIS 110  -3.682   9.401  -5.271
  871    HD2  HIS 110           2HD      HIS 110   0.324  10.631  -4.503
  872    HE1  HIS 110           1HE      HIS 110  -2.305   9.059  -7.382
  873    H    ALA 111           H        ALA 111  -3.180  11.610  -0.592
  874    HA   ALA 111           HA       ALA 111  -6.170  11.584  -0.353
  875   1HB   ALA 111          1HB       ALA 111  -5.490  11.759   2.048
  876   2HB   ALA 111          2HB       ALA 111  -4.399  10.576   1.359
  877   3HB   ALA 111          3HB       ALA 111  -3.854  12.253   1.677
  878    H    THR 112           H        THR 112  -4.061  14.238   0.043
  879    HA   THR 112           HA       THR 112  -6.181  16.243   0.694
  880    HB   THR 112           HB       THR 112  -3.356  16.946  -0.218
  881    HG1  THR 112           1HG      THR 112  -3.920  15.888   1.859
  882   1HG2  THR 112          1HG2      THR 112  -5.022  18.862  -0.508
  883   2HG2  THR 112          2HG2      THR 112  -5.710  18.596   1.116
  884   3HG2  THR 112          3HG2      THR 112  -4.064  19.189   1.061
  885    H    ALA 113           H        ALA 113  -4.454  15.341  -2.377
  886    HA   ALA 113           HA       ALA 113  -6.335  16.665  -4.143
  887   1HB   ALA 113          1HB       ALA 113  -4.641  14.192  -4.802
  888   2HB   ALA 113          2HB       ALA 113  -5.550  15.264  -5.945
  889   3HB   ALA 113          3HB       ALA 113  -4.193  15.957  -5.042
  890    HXT  ALA 113           HO       ALA 113  -9.050  14.952  -4.703
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1 -10.838  11.278  17.149
    2   2H    ALA   1          2H        ALA   1 -11.946  10.261  17.809
    3    HA   ALA   1           HA       ALA   1  -9.251   9.641  16.849
    4   1HB   ALA   1          1HB       ALA   1  -9.724   7.182  17.713
    5   2HB   ALA   1          2HB       ALA   1  -9.391   8.343  18.913
    6   3HB   ALA   1          3HB       ALA   1 -11.097   7.899  18.556
    7    H    GLU   2           H        GLU   2  -9.250   9.260  14.926
    8    HA   GLU   2           HA       GLU   2 -11.277   7.781  13.350
    9   1HB   GLU   2          1HB       GLU   2 -12.432   9.997  13.567
   10   2HB   GLU   2          2HB       GLU   2 -11.032  10.863  12.742
   11   1HG   GLU   2          1HG       GLU   2 -11.671   9.254  10.821
   12   2HG   GLU   2          2HG       GLU   2 -13.153   8.853  11.702
   13    HE2  GLU   2           HE       GLU   2 -13.239  11.929   9.363
   14    H    GLU   3           H        GLU   3  -9.970   6.728  11.948
   15    HA   GLU   3           HA       GLU   3  -7.677   7.983  10.647
   16   1HB   GLU   3          1HB       GLU   3  -5.908   6.637  11.677
   17   2HB   GLU   3          2HB       GLU   3  -6.661   7.701  12.870
   18   1HG   GLU   3          1HG       GLU   3  -7.993   5.595  13.730
   19   2HG   GLU   3          2HG       GLU   3  -7.338   4.603  12.446
   20    HE2  GLU   3           HE       GLU   3  -4.463   3.738  14.011
   21    H    GLY   4           H        GLY   4  -6.259   6.368   9.793
   22   1HA   GLY   4          1HA       GLY   4  -7.617   4.439   7.846
   23   2HA   GLY   4          2HA       GLY   4  -5.988   4.964   7.711
   24    H    GLN   5           H        GLN   5  -6.303   2.435   7.391
   25    HA   GLN   5           HA       GLN   5  -5.562   1.058  10.032
   26   1HB   GLN   5          1HB       GLN   5  -7.384  -0.533   9.794
   27   2HB   GLN   5          2HB       GLN   5  -8.011   1.128   9.894
   28   1HG   GLN   5          1HG       GLN   5  -7.805   0.795   7.204
   29   2HG   GLN   5          2HG       GLN   5  -8.128  -0.914   7.742
   30   1HE2  GLN   5          1HE2      GLN   5  -9.863   0.231   6.043
   31   2HE2  GLN   5          2HE2      GLN   5 -11.408   0.672   6.839
   32    H    VAL   6           H        VAL   6  -3.845  -0.014   9.602
   33    HA   VAL   6           HA       VAL   6  -2.855  -1.081   6.996
   34    HB   VAL   6           HB       VAL   6  -1.336  -0.737   9.447
   35   1HG1  VAL   6          1HG1      VAL   6   0.655  -1.067   8.046
   36   2HG1  VAL   6          2HG1      VAL   6  -0.451  -2.478   8.163
   37   3HG1  VAL   6          3HG1      VAL   6  -0.320  -1.472   6.677
   38   1HG2  VAL   6          1HG2      VAL   6  -1.115   1.170   7.025
   39   2HG2  VAL   6          2HG2      VAL   6  -1.852   1.600   8.691
   40   3HG2  VAL   6          3HG2      VAL   6  -0.138   1.117   8.463
   41    H    ILE   7           H        ILE   7  -3.300  -3.028   6.636
   42    HA   ILE   7           HA       ILE   7  -3.456  -5.143   8.733
   43    HB   ILE   7           HB       ILE   7  -5.748  -4.174   7.907
   44   1HG1  ILE   7          1HG1      ILE   7  -5.493  -6.006   9.399
   45   2HG1  ILE   7          2HG1      ILE   7  -6.882  -6.201   8.286
   46   1HG2  ILE   7          1HG2      ILE   7  -6.745  -5.181   5.886
   47   2HG2  ILE   7          2HG2      ILE   7  -5.302  -4.294   5.395
   48   3HG2  ILE   7          3HG2      ILE   7  -5.262  -6.003   5.462
   49   1HD1  ILE   7          1HD1      ILE   7  -5.382  -7.953   7.053
   50   2HD1  ILE   7          2HD1      ILE   7  -4.199  -7.794   8.421
   51   3HD1  ILE   7          3HD1      ILE   7  -5.816  -8.394   8.702
   52    H    ALA   8           H        ALA   8  -2.367  -6.742   8.396
   53    HA   ALA   8           HA       ALA   8  -0.416  -7.334   6.226
   54   1HB   ALA   8          1HB       ALA   8   0.065  -9.300   7.690
   55   2HB   ALA   8          2HB       ALA   8   0.017  -7.886   8.650
   56   3HB   ALA   8          3HB       ALA   8  -1.450  -8.960   8.698
   57    H    CYS   9           H        CYS   9  -0.627  -8.467   4.590
   58    HA   CYS   9           HA       CYS   9  -2.965 -10.245   3.842
   59   1HB   CYS   9          1HB       CYS   9  -1.454  -8.082   2.252
   60   2HB   CYS   9          2HB       CYS   9  -2.534  -9.127   1.496
   61    HG   CYS   9           HG       CYS   9  -4.644  -8.658   3.142
   62    H    HIS  10           H        HIS  10  -2.564 -11.840   2.825
   63    HA   HIS  10           HA       HIS  10   0.202 -12.998   2.461
   64   1HB   HIS  10          1HB       HIS  10  -2.244 -14.213   4.014
   65   2HB   HIS  10          2HB       HIS  10  -0.722 -15.039   3.749
   66    HD1  HIS  10           1HD      HIS  10  -2.427 -12.976   6.327
   67    HD2  HIS  10           2HD      HIS  10   1.593 -13.251   4.669
   68    HE1  HIS  10           1HE      HIS  10  -0.766 -11.878   7.862
   69    H    THR  11           H        THR  11  -3.106 -13.499   1.207
   70    HA   THR  11           HA       THR  11  -1.999 -15.060  -1.115
   71    HB   THR  11           HB       THR  11  -3.688 -16.881  -0.609
   72    HG1  THR  11           1HG      THR  11  -4.851 -16.723   1.305
   73   1HG2  THR  11          1HG2      THR  11  -2.900 -17.937   1.341
   74   2HG2  THR  11          2HG2      THR  11  -1.438 -17.086   0.667
   75   3HG2  THR  11          3HG2      THR  11  -2.233 -16.354   2.076
   76    H    VAL  12           H        VAL  12  -4.415 -15.956  -2.133
   77    HA   VAL  12           HA       VAL  12  -5.776 -13.587  -3.385
   78    HB   VAL  12           HB       VAL  12  -5.639 -16.039  -4.294
   79   1HG1  VAL  12          1HG1      VAL  12  -7.819 -16.733  -2.289
   80   2HG1  VAL  12          2HG1      VAL  12  -7.093 -17.876  -3.515
   81   3HG1  VAL  12          3HG1      VAL  12  -6.103 -17.309  -2.251
   82   1HG2  VAL  12          1HG2      VAL  12  -8.629 -15.338  -4.110
   83   2HG2  VAL  12          2HG2      VAL  12  -7.551 -14.446  -5.245
   84   3HG2  VAL  12          3HG2      VAL  12  -7.741 -16.299  -5.305
   85    H    ASP  13           H        ASP  13  -6.133 -14.581  -0.284
   86    HA   ASP  13           HA       ASP  13  -8.814 -13.468   0.211
   87   1HB   ASP  13          1HB       ASP  13  -6.308 -13.904   2.021
   88   2HB   ASP  13          2HB       ASP  13  -7.395 -12.665   2.520
   89    HD2  ASP  13           HD       ASP  13  -9.118 -13.326   3.203
   90    H    THR  14           H        THR  14  -5.646 -12.090  -0.042
   91    HA   THR  14           HA       THR  14  -6.539  -9.248   0.312
   92    HB   THR  14           HB       THR  14  -4.195  -9.864   0.688
   93    HG1  THR  14           1HG      THR  14  -4.882  -7.549  -0.602
   94   1HG2  THR  14          1HG2      THR  14  -3.803  -9.246  -2.249
   95   2HG2  THR  14          2HG2      THR  14  -2.502  -9.560  -0.989
   96   3HG2  THR  14          3HG2      THR  14  -3.514 -10.864  -1.621
   97    H    TRP  15           H        TRP  15  -6.017 -11.056  -2.564
   98    HA   TRP  15           HA       TRP  15  -6.810  -9.238  -4.531
   99   1HB   TRP  15          1HB       TRP  15  -7.281 -12.167  -4.236
  100   2HB   TRP  15          2HB       TRP  15  -8.183 -11.465  -5.479
  101    HD1  TRP  15           HD       TRP  15  -4.721 -12.620  -4.984
  102    HE1  TRP  15           1HE      TRP  15  -3.341 -12.354  -7.129
  103    HE3  TRP  15           3HE      TRP  15  -7.974  -9.389  -7.273
  104    HZ2  TRP  15           2HZ      TRP  15  -4.082 -11.245  -9.747
  105    HZ3  TRP  15           3HZ      TRP  15  -7.615  -8.742  -9.630
  106    HH2  TRP  15           HH       TRP  15  -5.610  -9.454 -10.779
  107    H    LYS  16           H        LYS  16  -9.194 -11.137  -2.420
  108    HA   LYS  16           HA       LYS  16 -11.596  -9.669  -3.315
  109   1HB   LYS  16          1HB       LYS  16 -11.109 -10.997  -0.615
  110   2HB   LYS  16          2HB       LYS  16 -12.619 -10.456  -1.279
  111   1HG   LYS  16          1HG       LYS  16 -12.524 -12.012  -3.188
  112   2HG   LYS  16          2HG       LYS  16 -11.045 -12.705  -2.620
  113   1HD   LYS  16          1HD       LYS  16 -13.652 -12.600  -1.088
  114   2HD   LYS  16          2HD       LYS  16 -13.325 -13.867  -2.065
  115   1HE   LYS  16          1HE       LYS  16 -11.432 -14.626  -0.609
  116   2HE   LYS  16          2HE       LYS  16 -11.557 -13.086   0.338
  117   1HZ   LYS  16          1HZ       LYS  16 -13.743 -13.770   1.055
  118   2HZ   LYS  16          2HZ       LYS  16 -13.617 -15.235   0.307
  119    H    GLU  17           H        GLU  17  -9.171  -8.974  -0.525
  120    HA   GLU  17           HA       GLU  17 -10.642  -6.664   0.492
  121   1HB   GLU  17          1HB       GLU  17  -7.608  -7.429   0.684
  122   2HB   GLU  17          2HB       GLU  17  -8.517  -6.234   1.829
  123   1HG   GLU  17          1HG       GLU  17  -9.816  -8.105   2.827
  124   2HG   GLU  17          2HG       GLU  17  -9.123  -9.154   1.836
  125    HE2  GLU  17           HE       GLU  17  -6.659  -9.907   4.085
  126    H    HIS  18           H        HIS  18  -7.796  -6.727  -1.541
  127    HA   HIS  18           HA       HIS  18  -7.357  -3.761  -1.804
  128   1HB   HIS  18          1HB       HIS  18  -5.768  -5.857  -2.312
  129   2HB   HIS  18          2HB       HIS  18  -6.638  -6.079  -3.766
  130    HD1  HIS  18           1HD      HIS  18  -6.632  -3.300  -5.251
  131    HD2  HIS  18           2HD      HIS  18  -3.593  -5.574  -3.557
  132    HE1  HIS  18           1HE      HIS  18  -4.271  -2.609  -6.229
  133    H    PHE  19           H        PHE  19  -8.600  -6.060  -4.186
  134    HA   PHE  19           HA       PHE  19  -9.552  -4.215  -6.198
  135   1HB   PHE  19          1HB       PHE  19  -9.184  -6.692  -6.382
  136   2HB   PHE  19          2HB       PHE  19 -10.730  -7.018  -5.716
  137    HD1  PHE  19           1HD      PHE  19 -12.838  -6.623  -6.987
  138    HD2  PHE  19           2HD      PHE  19  -9.057  -5.707  -8.693
  139    HE1  PHE  19           1HE      PHE  19 -13.945  -6.506  -9.231
  140    HE2  PHE  19           2HE      PHE  19 -10.189  -5.575 -10.967
  141    HZ   PHE  19           HZ       PHE  19 -12.500  -6.086 -11.218
  142    H    GLU  20           H        GLU  20 -11.824  -5.847  -3.936
  143    HA   GLU  20           HA       GLU  20 -14.288  -4.314  -4.203
  144   1HB   GLU  20          1HB       GLU  20 -13.347  -5.654  -1.583
  145   2HB   GLU  20          2HB       GLU  20 -15.031  -5.279  -1.979
  146   1HG   GLU  20          1HG       GLU  20 -13.527  -7.363  -3.627
  147   2HG   GLU  20          2HG       GLU  20 -14.686  -7.639  -2.239
  148    HE2  GLU  20           HE       GLU  20 -17.528  -7.155  -3.962
  149    H    LYS  21           H        LYS  21 -11.763  -3.469  -1.977
  150    HA   LYS  21           HA       LYS  21 -13.110  -0.984  -1.130
  151   1HB   LYS  21          1HB       LYS  21 -10.074  -1.542  -0.974
  152   2HB   LYS  21          2HB       LYS  21 -10.754  -0.082  -0.211
  153   1HG   LYS  21          1HG       LYS  21 -11.494  -2.950   0.646
  154   2HG   LYS  21          2HG       LYS  21 -10.257  -1.912   1.384
  155   1HD   LYS  21          1HD       LYS  21 -12.151  -0.150   1.766
  156   2HD   LYS  21          2HD       LYS  21 -13.247  -1.282   1.131
  157   1HE   LYS  21          1HE       LYS  21 -13.475  -1.578   3.380
  158   2HE   LYS  21          2HE       LYS  21 -12.536  -3.026   2.914
  159   1HZ   LYS  21          1HZ       LYS  21 -11.509  -0.575   4.383
  160   2HZ   LYS  21          2HZ       LYS  21 -11.381  -2.199   4.769
  161    H    GLY  22           H        GLY  22 -10.172  -1.445  -3.271
  162   1HA   GLY  22          1HA       GLY  22  -9.871   1.031  -4.432
  163   2HA   GLY  22          2HA       GLY  22  -9.646  -0.494  -5.364
  164    H    LYS  23           H        LYS  23 -11.421  -1.120  -6.558
  165    HA   LYS  23           HA       LYS  23 -13.507   0.782  -7.669
  166   1HB   LYS  23          1HB       LYS  23 -12.439  -0.724  -9.343
  167   2HB   LYS  23          2HB       LYS  23 -13.113  -2.035  -8.545
  168   1HG   LYS  23          1HG       LYS  23 -15.477  -0.767  -8.737
  169   2HG   LYS  23          2HG       LYS  23 -14.544   0.247  -9.712
  170   1HD   LYS  23          1HD       LYS  23 -15.076  -2.669 -10.125
  171   2HD   LYS  23          2HD       LYS  23 -15.929  -1.572 -10.966
  172   1HE   LYS  23          1HE       LYS  23 -12.930  -2.176 -11.312
  173   2HE   LYS  23          2HE       LYS  23 -14.041  -2.628 -12.511
  174   1HZ   LYS  23          1HZ       LYS  23 -14.196  -0.302 -13.234
  175   2HZ   LYS  23          2HZ       LYS  23 -13.442   0.292 -11.819
  176    H    GLY  24           H        GLY  24 -14.505   1.009  -6.186
  177   1HA   GLY  24          1HA       GLY  24 -16.957  -0.331  -5.781
  178   2HA   GLY  24          2HA       GLY  24 -15.983  -1.132  -4.489
  179    H    SER  25           H        SER  25 -14.597   1.067  -3.754
  180    HA   SER  25           HA       SER  25 -16.486   2.470  -1.909
  181   1HB   SER  25          1HB       SER  25 -13.880   1.233  -0.874
  182   2HB   SER  25          2HB       SER  25 -15.067   2.242   0.007
  183    HG   SER  25           HG       SER  25 -16.438   0.419  -0.926
  184    H    GLN  26           H        GLN  26 -16.420   4.376  -2.053
  185    HA   GLN  26           HA       GLN  26 -14.553   6.034  -3.584
  186   1HB   GLN  26          1HB       GLN  26 -17.120   6.778  -1.902
  187   2HB   GLN  26          2HB       GLN  26 -16.080   8.041  -2.620
  188   1HG   GLN  26          1HG       GLN  26 -17.800   7.541  -4.019
  189   2HG   GLN  26          2HG       GLN  26 -16.372   6.979  -4.828
  190   1HE2  GLN  26          1HE2      GLN  26 -16.813   5.239  -6.138
  191   2HE2  GLN  26          2HE2      GLN  26 -17.840   3.840  -5.732
  192    H    LYS  27           H        LYS  27 -12.701   5.526  -2.592
  193    HA   LYS  27           HA       LYS  27 -11.547   7.493  -0.805
  194   1HB   LYS  27          1HB       LYS  27 -10.883   5.927   1.006
  195   2HB   LYS  27          2HB       LYS  27 -12.615   5.853   0.852
  196   1HG   LYS  27          1HG       LYS  27 -12.364   3.591  -0.408
  197   2HG   LYS  27          2HG       LYS  27 -10.604   3.796  -0.305
  198   1HD   LYS  27          1HD       LYS  27 -11.280   2.191   1.274
  199   2HD   LYS  27          2HD       LYS  27 -10.527   3.553   2.171
  200   1HE   LYS  27          1HE       LYS  27 -12.839   4.364   2.726
  201   2HE   LYS  27          2HE       LYS  27 -13.671   3.238   1.758
  202   1HZ   LYS  27          1HZ       LYS  27 -12.298   1.564   2.926
  203   2HZ   LYS  27          2HZ       LYS  27 -12.088   2.717   4.066
  204    H    LEU  28           H        LEU  28  -9.294   6.865  -0.317
  205    HA   LEU  28           HA       LEU  28  -7.785   5.955  -2.706
  206   1HB   LEU  28          1HB       LEU  28  -7.230   8.227  -1.910
  207   2HB   LEU  28          2HB       LEU  28  -6.783   7.531  -0.291
  208    HG   LEU  28           HG       LEU  28  -5.017   6.206  -1.515
  209   1HD1  LEU  28          1HD1      LEU  28  -4.204   7.254  -3.865
  210   2HD1  LEU  28          2HD1      LEU  28  -5.505   6.117  -3.846
  211   3HD1  LEU  28          3HD1      LEU  28  -5.876   7.811  -4.004
  212   1HD2  LEU  28          1HD2      LEU  28  -4.466   8.173  -0.057
  213   2HD2  LEU  28          2HD2      LEU  28  -3.448   8.251  -1.571
  214   3HD2  LEU  28          3HD2      LEU  28  -4.851   9.290  -1.383
  215    H    ILE  29           H        ILE  29  -6.023   4.224  -2.297
  216    HA   ILE  29           HA       ILE  29  -6.090   2.681   0.196
  217    HB   ILE  29           HB       ILE  29  -6.437   0.640  -0.497
  218   1HG1  ILE  29          1HG1      ILE  29  -7.367   1.065  -3.381
  219   2HG1  ILE  29          2HG1      ILE  29  -5.693   0.649  -3.024
  220   1HG2  ILE  29          1HG2      ILE  29  -8.704   0.459  -0.655
  221   2HG2  ILE  29          2HG2      ILE  29  -8.469   2.142   0.023
  222   3HG2  ILE  29          3HG2      ILE  29  -8.868   1.946  -1.582
  223   1HD1  ILE  29          1HD1      ILE  29  -6.839  -1.164  -3.627
  224   2HD1  ILE  29          2HD1      ILE  29  -6.518  -1.387  -2.002
  225   3HD1  ILE  29          3HD1      ILE  29  -8.140  -0.949  -2.444
  226    H    VAL  30           H        VAL  30  -3.993   1.732   0.222
  227    HA   VAL  30           HA       VAL  30  -1.895   2.452  -1.754
  228    HB   VAL  30           HB       VAL  30  -1.456   3.711   0.837
  229   1HG1  VAL  30          1HG1      VAL  30   0.183   3.926  -1.941
  230   2HG1  VAL  30          2HG1      VAL  30   0.463   4.859  -0.408
  231   3HG1  VAL  30          3HG1      VAL  30   0.873   3.164  -0.427
  232   1HG2  VAL  30          1HG2      VAL  30  -1.525   5.869  -0.369
  233   2HG2  VAL  30          2HG2      VAL  30  -2.175   5.072  -1.819
  234   3HG2  VAL  30          3HG2      VAL  30  -3.128   5.100  -0.371
  235    H    VAL  31           H        VAL  31  -0.681   0.939  -1.782
  236    HA   VAL  31           HA       VAL  31  -0.459  -1.265   0.292
  237    HB   VAL  31           HB       VAL  31  -2.140  -1.597  -1.100
  238   1HG1  VAL  31          1HG1      VAL  31  -1.959  -0.563  -3.179
  239   2HG1  VAL  31          2HG1      VAL  31  -0.478  -1.414  -3.580
  240   3HG1  VAL  31          3HG1      VAL  31  -2.115  -2.317  -3.482
  241   1HG2  VAL  31          1HG2      VAL  31  -1.431  -3.916  -1.969
  242   2HG2  VAL  31          2HG2      VAL  31   0.359  -3.502  -1.942
  243   3HG2  VAL  31          3HG2      VAL  31  -0.557  -3.589  -0.442
  244    H    ASP  32           H        ASP  32   1.488  -1.485   0.870
  245    HA   ASP  32           HA       ASP  32   3.981  -1.372  -0.569
  246   1HB   ASP  32          1HB       ASP  32   3.638  -1.078   1.909
  247   2HB   ASP  32          2HB       ASP  32   3.748  -2.800   2.118
  248    HD2  ASP  32           HD       ASP  32   7.196  -1.579   0.704
  249    H    PHE  33           H        PHE  33   5.363  -3.079  -1.309
  250    HA   PHE  33           HA       PHE  33   4.391  -5.857  -1.529
  251   1HB   PHE  33          1HB       PHE  33   5.508  -4.254  -3.874
  252   2HB   PHE  33          2HB       PHE  33   5.423  -5.911  -3.671
  253    HD1  PHE  33           1HD      PHE  33   3.459  -7.319  -3.826
  254    HD2  PHE  33           2HD      PHE  33   3.036  -3.014  -4.229
  255    HE1  PHE  33           1HE      PHE  33   0.990  -7.485  -4.097
  256    HE2  PHE  33           2HE      PHE  33   0.813  -3.268  -4.858
  257    HZ   PHE  33           HZ       PHE  33  -0.276  -5.469  -4.653
  258    H    THR  34           H        THR  34   6.100  -6.921  -0.336
  259    HA   THR  34           HA       THR  34   8.762  -5.758  -0.124
  260    HB   THR  34           HB       THR  34   7.919  -4.200   1.475
  261    HG1  THR  34           1HG      THR  34   9.347  -5.778   3.200
  262   1HG2  THR  34          1HG2      THR  34   6.084  -5.661   2.542
  263   2HG2  THR  34          2HG2      THR  34   7.271  -6.355   3.669
  264   3HG2  THR  34          3HG2      THR  34   6.981  -4.638   3.629
  265    H    ALA  35           H        ALA  35   9.801  -7.449   0.397
  266    HA   ALA  35           HA       ALA  35   8.871 -10.033   1.592
  267   1HB   ALA  35          1HB       ALA  35  10.806  -9.814  -0.175
  268   2HB   ALA  35          2HB       ALA  35  11.882  -9.365   1.100
  269   3HB   ALA  35          3HB       ALA  35  11.013 -10.882   1.105
  270    H    SER  36           H        SER  36   9.105 -10.863   3.719
  271    HA   SER  36           HA       SER  36   9.397  -9.247   6.064
  272   1HB   SER  36          1HB       SER  36   8.453 -11.675   5.822
  273   2HB   SER  36          2HB       SER  36  10.187 -12.211   5.721
  274    HG   SER  36           HG       SER  36   9.528 -12.181   7.879
  275    H    TRP  37           H        TRP  37  12.019 -11.066   4.392
  276    HA   TRP  37           HA       TRP  37  14.074 -10.036   6.074
  277   1HB   TRP  37          1HB       TRP  37  15.672 -11.033   4.487
  278   2HB   TRP  37          2HB       TRP  37  14.439 -12.067   5.052
  279    HD1  TRP  37           HD       TRP  37  12.541 -13.302   3.520
  280    HE1  TRP  37           1HE      TRP  37  12.332 -13.851   0.925
  281    HE3  TRP  37           3HE      TRP  37  15.971  -9.857   1.724
  282    HZ2  TRP  37           2HZ      TRP  37  13.453 -12.700  -1.415
  283    HZ3  TRP  37           3HZ      TRP  37  16.448  -9.800  -0.702
  284    HH2  TRP  37           HH       TRP  37  15.249 -11.215  -2.236
  285    H    CYS  38           H        CYS  38  13.218  -7.871   5.921
  286    HA   CYS  38           HA       CYS  38  14.977  -6.141   4.298
  287   1HB   CYS  38          1HB       CYS  38  12.788  -6.412   2.837
  288   2HB   CYS  38          2HB       CYS  38  11.936  -5.899   4.081
  289    HG   CYS  38           HG       CYS  38  13.527  -4.183   1.920
  290    HA   PRO  39           HA       PRO  39  14.743  -4.482   8.682
  291   1HB   PRO  39          1HB       PRO  39  17.429  -3.543   7.979
  292   2HB   PRO  39          2HB       PRO  39  16.697  -4.137   9.538
  293   1HG   PRO  39          1HG       PRO  39  18.162  -5.856   8.074
  294   2HG   PRO  39          2HG       PRO  39  16.718  -6.250   8.957
  295   1HD   PRO  39          1HD       PRO  39  17.077  -5.690   6.023
  296   2HD   PRO  39          2HD       PRO  39  16.108  -6.991   6.841
  297    HA   PRO  40           HA       PRO  40  14.778   0.059   6.496
  298   1HB   PRO  40          1HB       PRO  40  14.787  -0.990   3.660
  299   2HB   PRO  40          2HB       PRO  40  15.312   0.625   4.298
  300   1HG   PRO  40          1HG       PRO  40  16.950  -1.483   3.682
  301   2HG   PRO  40          2HG       PRO  40  17.248  -0.396   5.139
  302   1HD   PRO  40          1HD       PRO  40  16.231  -3.299   5.012
  303   2HD   PRO  40          2HD       PRO  40  17.163  -2.325   6.279
  304    H    CYS  41           H        CYS  41  12.738  -2.404   4.700
  305    HA   CYS  41           HA       CYS  41  10.280  -1.152   5.558
  306   1HB   CYS  41          1HB       CYS  41  10.281  -3.927   4.300
  307   2HB   CYS  41          2HB       CYS  41   8.957  -2.780   4.397
  308    HG   CYS  41           HG       CYS  41   9.212  -2.081   2.184
  309    H    LYS  42           H        LYS  42  12.139  -3.194   7.370
  310    HA   LYS  42           HA       LYS  42  10.118  -3.916   9.265
  311   1HB   LYS  42          1HB       LYS  42  12.410  -4.964   9.078
  312   2HB   LYS  42          2HB       LYS  42  13.050  -3.710  10.097
  313   1HG   LYS  42          1HG       LYS  42  11.565  -4.259  12.056
  314   2HG   LYS  42          2HG       LYS  42  10.667  -5.492  11.061
  315   1HD   LYS  42          1HD       LYS  42  12.992  -6.662  10.774
  316   2HD   LYS  42          2HD       LYS  42  13.740  -5.420  11.765
  317   1HE   LYS  42          1HE       LYS  42  13.324  -7.055  13.552
  318   2HE   LYS  42          2HE       LYS  42  11.685  -6.300  13.553
  319   1HZ   LYS  42          1HZ       LYS  42  10.850  -8.005  12.395
  320   2HZ   LYS  42          2HZ       LYS  42  12.099  -8.362  11.572
  321    H    MET  43           H        MET  43  12.250  -1.175   9.204
  322    HA   MET  43           HA       MET  43  10.705   0.448  11.185
  323   1HB   MET  43          1HB       MET  43  12.246   2.123  10.999
  324   2HB   MET  43          2HB       MET  43  13.154   0.715  10.926
  325   1HG   MET  43          1HG       MET  43  13.437   0.950   8.392
  326   2HG   MET  43          2HG       MET  43  12.676   2.518   8.535
  327   1HE   MET  43          1HE       MET  43  15.379   3.434   7.573
  328   2HE   MET  43          2HE       MET  43  16.880   3.032   8.504
  329   3HE   MET  43          3HE       MET  43  15.947   1.752   7.615
  330    H    ILE  44           H        ILE  44  10.516   0.367   7.634
  331    HA   ILE  44           HA       ILE  44   8.513   2.300   7.553
  332    HB   ILE  44           HB       ILE  44   9.857   1.158   5.549
  333   1HG1  ILE  44          1HG1      ILE  44   8.465   2.617   4.057
  334   2HG1  ILE  44          2HG1      ILE  44   7.474   3.014   5.368
  335   1HG2  ILE  44          1HG2      ILE  44   6.961   0.339   4.817
  336   2HG2  ILE  44          2HG2      ILE  44   8.482   0.178   3.953
  337   3HG2  ILE  44          3HG2      ILE  44   8.200  -0.903   5.360
  338   1HD1  ILE  44          1HD1      ILE  44  10.433   3.497   5.021
  339   2HD1  ILE  44          2HD1      ILE  44   9.225   4.716   4.972
  340   3HD1  ILE  44          3HD1      ILE  44   9.628   3.819   6.555
  341    H    ALA  45           H        ALA  45   7.910  -0.978   8.722
  342    HA   ALA  45           HA       ALA  45   4.995  -0.853   8.479
  343   1HB   ALA  45          1HB       ALA  45   6.900  -2.632  10.199
  344   2HB   ALA  45          2HB       ALA  45   5.221  -2.880  10.086
  345   3HB   ALA  45          3HB       ALA  45   6.290  -2.950   8.678
  346    HA   PRO  46           HA       PRO  46   4.669   1.507  12.615
  347   1HB   PRO  46          1HB       PRO  46   7.595   2.502  12.887
  348   2HB   PRO  46          2HB       PRO  46   6.423   2.197  14.189
  349   1HG   PRO  46          1HG       PRO  46   8.470   0.367  13.413
  350   2HG   PRO  46          2HG       PRO  46   6.987  -0.193  14.004
  351   1HD   PRO  46          1HD       PRO  46   8.024  -0.055  11.174
  352   2HD   PRO  46          2HD       PRO  46   6.868  -1.265  11.969
  353    H    ILE  47           H        ILE  47   6.898   2.774   9.975
  354    HA   ILE  47           HA       ILE  47   6.010   5.636  10.044
  355    HB   ILE  47           HB       ILE  47   7.524   4.041   7.888
  356   1HG1  ILE  47          1HG1      ILE  47   8.912   4.532   9.830
  357   2HG1  ILE  47          2HG1      ILE  47   9.359   5.530   8.414
  358   1HG2  ILE  47          1HG2      ILE  47   6.312   5.687   6.449
  359   2HG2  ILE  47          2HG2      ILE  47   6.550   6.938   7.713
  360   3HG2  ILE  47          3HG2      ILE  47   7.943   6.216   6.786
  361   1HD1  ILE  47          1HD1      ILE  47   9.738   6.722  10.474
  362   2HD1  ILE  47          2HD1      ILE  47   8.180   7.470   9.805
  363   3HD1  ILE  47          3HD1      ILE  47   8.021   6.289  11.034
  364    H    PHE  48           H        PHE  48   5.092   2.951   8.196
  365    HA   PHE  48           HA       PHE  48   2.956   4.236   6.610
  366   1HB   PHE  48          1HB       PHE  48   4.226   2.161   6.016
  367   2HB   PHE  48          2HB       PHE  48   3.367   1.195   7.288
  368    HD1  PHE  48           1HD      PHE  48   1.842  -0.332   6.119
  369    HD2  PHE  48           2HD      PHE  48   2.520   3.540   4.331
  370    HE1  PHE  48           1HE      PHE  48   0.574  -1.067   4.155
  371    HE2  PHE  48           2HE      PHE  48   1.349   2.638   2.253
  372    HZ   PHE  48           HZ       PHE  48   0.410   0.391   2.230
  373    H    ALA  49           H        ALA  49   2.894   2.674   9.803
  374    HA   ALA  49           HA       ALA  49  -0.083   2.973  10.196
  375   1HB   ALA  49          1HB       ALA  49   1.152   1.156  11.406
  376   2HB   ALA  49          2HB       ALA  49   2.118   2.336  12.307
  377   3HB   ALA  49          3HB       ALA  49   0.390   2.324  12.582
  378    H    GLU  50           H        GLU  50   2.911   4.916  11.153
  379    HA   GLU  50           HA       GLU  50   1.462   6.871  12.710
  380   1HB   GLU  50          1HB       GLU  50   4.095   6.534  12.637
  381   2HB   GLU  50          2HB       GLU  50   4.012   7.217  11.032
  382   1HG   GLU  50          1HG       GLU  50   3.015   9.369  12.133
  383   2HG   GLU  50          2HG       GLU  50   3.156   8.525  13.703
  384    HE2  GLU  50           HE       GLU  50   5.720  11.023  13.422
  385    H    LEU  51           H        LEU  51   2.285   7.106   9.343
  386    HA   LEU  51           HA       LEU  51   0.817   9.416   8.798
  387   1HB   LEU  51          1HB       LEU  51   2.616   8.737   7.398
  388   2HB   LEU  51          2HB       LEU  51   2.068   7.083   7.222
  389    HG   LEU  51           HG       LEU  51   2.104   8.547   5.149
  390   1HD1  LEU  51          1HD1      LEU  51   0.349   7.460   4.051
  391   2HD1  LEU  51          2HD1      LEU  51   0.303   6.505   5.591
  392   3HD1  LEU  51          3HD1      LEU  51  -0.822   7.695   5.370
  393   1HD2  LEU  51          1HD2      LEU  51   1.373  10.676   6.059
  394   2HD2  LEU  51          2HD2      LEU  51   0.304  10.148   4.754
  395   3HD2  LEU  51          3HD2      LEU  51  -0.223  10.095   6.427
  396    H    ALA  52           H        ALA  52  -0.338   6.020   8.874
  397    HA   ALA  52           HA       ALA  52  -3.146   6.483   7.865
  398   1HB   ALA  52          1HB       ALA  52  -2.067   4.181   8.074
  399   2HB   ALA  52          2HB       ALA  52  -2.180   4.432   9.874
  400   3HB   ALA  52          3HB       ALA  52  -3.651   4.255   8.779
  401    H    LYS  53           H        LYS  53  -1.695   6.869  10.857
  402    HA   LYS  53           HA       LYS  53  -4.068   7.545  12.495
  403   1HB   LYS  53          1HB       LYS  53  -1.218   8.190  13.386
  404   2HB   LYS  53          2HB       LYS  53  -2.728   8.389  14.256
  405   1HG   LYS  53          1HG       LYS  53  -3.201   6.114  14.314
  406   2HG   LYS  53          2HG       LYS  53  -1.900   5.701  13.311
  407   1HD   LYS  53          1HD       LYS  53  -0.229   6.631  14.984
  408   2HD   LYS  53          2HD       LYS  53  -1.668   6.824  16.056
  409   1HE   LYS  53          1HE       LYS  53  -2.195   4.461  16.059
  410   2HE   LYS  53          2HE       LYS  53  -0.980   4.115  14.746
  411   1HZ   LYS  53          1HZ       LYS  53  -0.430   5.187  17.493
  412   2HZ   LYS  53          2HZ       LYS  53  -0.081   3.667  17.007
  413    H    LYS  54           H        LYS  54  -1.916   9.353  10.482
  414    HA   LYS  54           HA       LYS  54  -2.487  12.141  11.293
  415   1HB   LYS  54          1HB       LYS  54  -0.198  11.212  10.381
  416   2HB   LYS  54          2HB       LYS  54  -1.087  11.099   8.781
  417   1HG   LYS  54          1HG       LYS  54  -1.505  13.609   9.026
  418   2HG   LYS  54          2HG       LYS  54  -0.579  13.581  10.575
  419   1HD   LYS  54          1HD       LYS  54   0.570  12.649   7.843
  420   2HD   LYS  54          2HD       LYS  54   0.852  14.289   8.467
  421   1HE   LYS  54          1HE       LYS  54   2.002  13.278  10.512
  422   2HE   LYS  54          2HE       LYS  54   1.937  11.664   9.782
  423   1HZ   LYS  54          1HZ       LYS  54   3.992  12.752   9.404
  424   2HZ   LYS  54          2HZ       LYS  54   3.126  12.414   8.004
  425    H    PHE  55           H        PHE  55  -3.404   9.844   8.939
  426    HA   PHE  55           HA       PHE  55  -5.180  11.766   7.528
  427   1HB   PHE  55          1HB       PHE  55  -2.873  10.060   6.682
  428   2HB   PHE  55          2HB       PHE  55  -4.216  10.137   5.520
  429    HD1  PHE  55           1HD      PHE  55  -1.261  11.855   6.724
  430    HD2  PHE  55           2HD      PHE  55  -4.995  12.470   4.724
  431    HE1  PHE  55           1HE      PHE  55  -0.500  14.084   5.963
  432    HE2  PHE  55           2HE      PHE  55  -4.123  14.703   3.869
  433    HZ   PHE  55           HZ       PHE  55  -1.968  15.403   4.325
  434    HA   PRO  56           HA       PRO  56  -8.173   8.235   8.307
  435   1HB   PRO  56          1HB       PRO  56 -10.562   9.582   8.085
  436   2HB   PRO  56          2HB       PRO  56  -9.478   9.577   9.574
  437   1HG   PRO  56          1HG       PRO  56  -9.556  11.733   7.447
  438   2HG   PRO  56          2HG       PRO  56  -9.500  11.834   9.199
  439   1HD   PRO  56          1HD       PRO  56  -7.298  12.115   7.571
  440   2HD   PRO  56          2HD       PRO  56  -7.141  11.616   9.270
  441    H    ASN  57           H        ASN  57  -7.876   9.692   5.208
  442    HA   ASN  57           HA       ASN  57 -10.533   9.112   3.984
  443   1HB   ASN  57          1HB       ASN  57  -9.844  10.469   1.964
  444   2HB   ASN  57          2HB       ASN  57  -9.833  11.320   3.483
  445   1HD2  ASN  57          2HD2      ASN  57  -7.776  12.201   4.270
  446   2HD2  ASN  57          1HD2      ASN  57  -6.430  12.358   3.051
  447    H    VAL  58           H        VAL  58  -7.897   7.424   4.734
  448    HA   VAL  58           HA       VAL  58  -7.538   6.005   2.112
  449    HB   VAL  58           HB       VAL  58  -6.182   7.780   2.087
  450   1HG1  VAL  58          1HG1      VAL  58  -5.165   7.247   4.850
  451   2HG1  VAL  58          2HG1      VAL  58  -4.193   8.283   3.800
  452   3HG1  VAL  58          3HG1      VAL  58  -5.806   8.774   4.361
  453   1HG2  VAL  58          1HG2      VAL  58  -5.301   5.820   1.195
  454   2HG2  VAL  58          2HG2      VAL  58  -3.975   6.988   1.863
  455   3HG2  VAL  58          3HG2      VAL  58  -4.471   5.471   2.711
  456    H    THR  59           H        THR  59  -7.878   3.992   2.301
  457    HA   THR  59           HA       THR  59  -7.088   2.266   4.665
  458    HB   THR  59           HB       THR  59  -8.329   1.503   1.984
  459    HG1  THR  59           1HG      THR  59 -10.117   1.487   2.988
  460   1HG2  THR  59          1HG2      THR  59  -7.792  -0.392   4.267
  461   2HG2  THR  59          2HG2      THR  59  -8.788  -0.823   2.716
  462   3HG2  THR  59          3HG2      THR  59  -7.038  -0.435   2.597
  463    H    PHE  60           H        PHE  60  -5.686   0.552   4.538
  464    HA   PHE  60           HA       PHE  60  -3.327   0.734   2.739
  465   1HB   PHE  60          1HB       PHE  60  -3.249   1.024   5.871
  466   2HB   PHE  60          2HB       PHE  60  -1.750   0.888   4.917
  467    HD1  PHE  60           1HD      PHE  60  -1.466   2.795   3.068
  468    HD2  PHE  60           2HD      PHE  60  -4.180   3.140   6.291
  469    HE1  PHE  60           1HE      PHE  60  -1.201   5.228   2.976
  470    HE2  PHE  60           2HE      PHE  60  -3.983   5.571   6.232
  471    HZ   PHE  60           HZ       PHE  60  -2.545   6.628   4.490
  472    H    LEU  61           H        LEU  61  -2.474  -1.090   2.314
  473    HA   LEU  61           HA       LEU  61  -2.466  -3.357   4.166
  474   1HB   LEU  61          1HB       LEU  61  -3.629  -4.784   2.702
  475   2HB   LEU  61          2HB       LEU  61  -4.592  -3.344   2.821
  476    HG   LEU  61           HG       LEU  61  -3.014  -2.967   0.426
  477   1HD1  LEU  61          1HD1      LEU  61  -3.745  -5.824   0.231
  478   2HD1  LEU  61          2HD1      LEU  61  -2.954  -4.839  -0.948
  479   3HD1  LEU  61          3HD1      LEU  61  -2.117  -5.218   0.489
  480   1HD2  LEU  61          1HD2      LEU  61  -5.342  -2.448   0.501
  481   2HD2  LEU  61          2HD2      LEU  61  -4.915  -3.372  -0.838
  482   3HD2  LEU  61          3HD2      LEU  61  -5.776  -4.186   0.567
  483    H    LYS  62           H        LYS  62  -1.279  -5.184   3.398
  484    HA   LYS  62           HA       LYS  62   1.160  -4.378   1.984
  485   1HB   LYS  62          1HB       LYS  62   2.732  -4.681   3.781
  486   2HB   LYS  62          2HB       LYS  62   1.485  -3.403   4.135
  487   1HG   LYS  62          1HG       LYS  62   0.430  -5.384   5.519
  488   2HG   LYS  62          2HG       LYS  62   1.955  -6.208   5.230
  489   1HD   LYS  62          1HD       LYS  62   1.613  -3.516   6.698
  490   2HD   LYS  62          2HD       LYS  62   1.767  -5.032   7.607
  491   1HE   LYS  62          1HE       LYS  62   4.137  -4.021   6.005
  492   2HE   LYS  62          2HE       LYS  62   3.810  -3.799   7.658
  493   1HZ   LYS  62          1HZ       LYS  62   4.935  -5.759   7.870
  494   2HZ   LYS  62          2HZ       LYS  62   4.746  -6.086   6.301
  495    H    VAL  63           H        VAL  63   1.359  -5.863   0.707
  496    HA   VAL  63           HA       VAL  63   0.777  -8.694   0.962
  497    HB   VAL  63           HB       VAL  63   1.767  -6.922  -1.339
  498   1HG1  VAL  63          1HG1      VAL  63   1.042  -9.964  -1.171
  499   2HG1  VAL  63          2HG1      VAL  63   1.133  -9.155  -2.659
  500   3HG1  VAL  63          3HG1      VAL  63   2.580  -9.348  -1.710
  501   1HG2  VAL  63          1HG2      VAL  63  -0.926  -8.192  -0.476
  502   2HG2  VAL  63          2HG2      VAL  63  -0.573  -6.485  -0.994
  503   3HG2  VAL  63          3HG2      VAL  63  -0.663  -7.727  -2.136
  504    H    ASP  64           H        ASP  64   2.205 -10.004   1.855
  505    HA   ASP  64           HA       ASP  64   5.093  -9.979   1.894
  506   1HB   ASP  64          1HB       ASP  64   3.850 -11.068   3.767
  507   2HB   ASP  64          2HB       ASP  64   3.100 -12.237   2.667
  508    HD2  ASP  64           HD       ASP  64   5.891 -14.354   2.669
  509    H    VAL  65           H        VAL  65   6.298 -10.141   0.157
  510    HA   VAL  65           HA       VAL  65   5.342 -10.809  -2.495
  511    HB   VAL  65           HB       VAL  65   7.021  -8.928  -1.603
  512   1HG1  VAL  65          1HG1      VAL  65   8.851 -10.727  -0.955
  513   2HG1  VAL  65          2HG1      VAL  65   9.055 -10.890  -2.676
  514   3HG1  VAL  65          3HG1      VAL  65   9.402  -9.391  -1.866
  515   1HG2  VAL  65          1HG2      VAL  65   7.775  -8.801  -4.174
  516   2HG2  VAL  65          2HG2      VAL  65   6.690 -10.036  -4.298
  517   3HG2  VAL  65          3HG2      VAL  65   6.111  -8.479  -3.596
  518    H    ASP  66           H        ASP  66   7.839 -12.459  -0.380
  519    HA   ASP  66           HA       ASP  66   8.342 -14.760  -1.696
  520   1HB   ASP  66          1HB       ASP  66   7.353 -14.658   1.197
  521   2HB   ASP  66          2HB       ASP  66   8.198 -16.124   0.580
  522    HD2  ASP  66           HD       ASP  66  10.370 -13.130   2.035
  523    H    GLU  67           H        GLU  67   5.434 -14.795   0.277
  524    HA   GLU  67           HA       GLU  67   3.992 -16.803  -1.294
  525   1HB   GLU  67          1HB       GLU  67   2.794 -14.611   0.324
  526   2HB   GLU  67          2HB       GLU  67   1.967 -16.099  -0.301
  527   1HG   GLU  67          1HG       GLU  67   3.528 -17.552   1.067
  528   2HG   GLU  67          2HG       GLU  67   4.216 -16.076   1.856
  529    HE2  GLU  67           HE       GLU  67   0.768 -17.567   3.090
  530    H    LEU  68           H        LEU  68   4.148 -13.511  -2.209
  531    HA   LEU  68           HA       LEU  68   2.201 -13.932  -4.490
  532   1HB   LEU  68          1HB       LEU  68   1.998 -11.687  -2.287
  533   2HB   LEU  68          2HB       LEU  68   1.068 -11.576  -3.781
  534    HG   LEU  68           HG       LEU  68   0.725 -13.718  -1.586
  535   1HD1  LEU  68          1HD1      LEU  68  -1.661 -12.433  -1.723
  536   2HD1  LEU  68          2HD1      LEU  68  -0.197 -11.651  -0.937
  537   3HD1  LEU  68          3HD1      LEU  68  -0.746 -11.200  -2.553
  538   1HD2  LEU  68          1HD2      LEU  68  -0.836 -13.447  -4.219
  539   2HD2  LEU  68          2HD2      LEU  68   0.250 -14.735  -3.668
  540   3HD2  LEU  68          3HD2      LEU  68  -1.273 -14.473  -2.837
  541    H    LYS  69           H        LYS  69   4.655 -13.820  -4.761
  542    HA   LYS  69           HA       LYS  69   5.706 -11.354  -6.011
  543   1HB   LYS  69          1HB       LYS  69   7.504 -12.442  -7.067
  544   2HB   LYS  69          2HB       LYS  69   7.451 -12.736  -5.402
  545   1HG   LYS  69          1HG       LYS  69   6.294 -14.969  -5.632
  546   2HG   LYS  69          2HG       LYS  69   6.383 -14.709  -7.338
  547   1HD   LYS  69          1HD       LYS  69   7.988 -16.295  -6.687
  548   2HD   LYS  69          2HD       LYS  69   8.920 -14.866  -7.092
  549   1HE   LYS  69          1HE       LYS  69   9.228 -14.292  -4.560
  550   2HE   LYS  69          2HE       LYS  69   8.071 -15.581  -4.098
  551   1HZ   LYS  69          1HZ       LYS  69  10.686 -16.019  -3.964
  552   2HZ   LYS  69          2HZ       LYS  69   9.578 -17.080  -4.281
  553    H    ALA  70           H        ALA  70   3.978 -13.900  -7.510
  554    HA   ALA  70           HA       ALA  70   4.443 -13.254 -10.474
  555   1HB   ALA  70          1HB       ALA  70   2.367 -14.701 -10.723
  556   2HB   ALA  70          2HB       ALA  70   3.686 -15.596  -9.744
  557   3HB   ALA  70          3HB       ALA  70   2.268 -15.019  -9.034
  558    H    VAL  71           H        VAL  71   1.917 -12.642  -8.168
  559    HA   VAL  71           HA       VAL  71   0.298 -10.830  -9.785
  560    HB   VAL  71           HB       VAL  71  -0.773 -12.318  -7.980
  561   1HG1  VAL  71          1HG1      VAL  71  -0.804 -11.845  -5.705
  562   2HG1  VAL  71          2HG1      VAL  71   0.944 -12.017  -6.258
  563   3HG1  VAL  71          3HG1      VAL  71   0.291 -10.366  -5.884
  564   1HG2  VAL  71          1HG2      VAL  71  -2.110 -10.175  -7.247
  565   2HG2  VAL  71          2HG2      VAL  71  -1.040  -9.241  -8.093
  566   3HG2  VAL  71          3HG2      VAL  71  -2.103 -10.226  -9.024
  567    H    ALA  72           H        ALA  72   2.476 -10.206  -6.877
  568    HA   ALA  72           HA       ALA  72   2.432  -7.374  -6.859
  569   1HB   ALA  72          1HB       ALA  72   4.968  -9.107  -6.872
  570   2HB   ALA  72          2HB       ALA  72   5.082  -7.410  -6.395
  571   3HB   ALA  72          3HB       ALA  72   4.054  -8.539  -5.367
  572    H    GLU  73           H        GLU  73   4.280  -9.378  -9.041
  573    HA   GLU  73           HA       GLU  73   5.298  -7.260 -10.789
  574   1HB   GLU  73          1HB       GLU  73   4.966 -10.159 -11.469
  575   2HB   GLU  73          2HB       GLU  73   5.856  -9.188 -12.438
  576   1HG   GLU  73          1HG       GLU  73   7.818  -8.873 -11.149
  577   2HG   GLU  73          2HG       GLU  73   6.882  -9.260  -9.644
  578    HE2  GLU  73           HE       GLU  73   9.032 -10.297 -10.797
  579    H    GLU  74           H        GLU  74   2.370  -8.973 -10.992
  580    HA   GLU  74           HA       GLU  74   1.312  -7.718 -13.492
  581   1HB   GLU  74          1HB       GLU  74  -0.360  -9.392 -13.571
  582   2HB   GLU  74          2HB       GLU  74   0.330 -10.055 -12.210
  583   1HG   GLU  74          1HG       GLU  74  -1.804  -9.920 -11.618
  584   2HG   GLU  74          2HG       GLU  74  -1.113  -8.671 -10.543
  585    HE2  GLU  74           HE       GLU  74  -3.372  -8.446 -10.480
  586    H    TRP  75           H        TRP  75   0.827  -6.830 -10.101
  587    HA   TRP  75           HA       TRP  75  -1.046  -4.716 -10.628
  588   1HB   TRP  75          1HB       TRP  75   1.167  -4.918  -8.346
  589   2HB   TRP  75          2HB       TRP  75  -0.133  -3.593  -8.369
  590    HD1  TRP  75           HD       TRP  75   0.465  -6.795  -6.890
  591    HE1  TRP  75           1HE      TRP  75  -1.727  -8.089  -6.105
  592    HE3  TRP  75           3HE      TRP  75  -3.160  -3.950  -9.583
  593    HZ2  TRP  75           2HZ      TRP  75  -4.220  -8.307  -7.265
  594    HZ3  TRP  75           3HZ      TRP  75  -5.194  -5.032  -9.841
  595    HH2  TRP  75           HH       TRP  75  -5.803  -7.208  -8.438
  596    H    ASN  76           H        ASN  76   2.483  -4.564  -9.956
  597    HA   ASN  76           HA       ASN  76   3.623  -4.096 -12.241
  598   1HB   ASN  76          1HB       ASN  76   2.387  -2.392 -12.914
  599   2HB   ASN  76          2HB       ASN  76   2.613  -1.247 -11.717
  600   1HD2  ASN  76          1HD2      ASN  76   4.089  -2.720 -14.559
  601   2HD2  ASN  76          2HD2      ASN  76   5.365  -1.366 -14.755
  602    H    VAL  77           H        VAL  77   4.929  -5.165 -10.576
  603    HA   VAL  77           HA       VAL  77   6.846  -3.629  -9.146
  604    HB   VAL  77           HB       VAL  77   5.618  -6.090  -8.296
  605   1HG1  VAL  77          1HG1      VAL  77   6.663  -5.170  -5.734
  606   2HG1  VAL  77          2HG1      VAL  77   7.458  -6.437  -6.811
  607   3HG1  VAL  77          3HG1      VAL  77   7.678  -4.561  -6.811
  608   1HG2  VAL  77          1HG2      VAL  77   5.138  -3.563  -6.685
  609   2HG2  VAL  77          2HG2      VAL  77   4.153  -4.059  -8.076
  610   3HG2  VAL  77          3HG2      VAL  77   4.195  -5.151  -6.538
  611    H    GLU  78           H        GLU  78   8.295  -3.795 -10.301
  612    HA   GLU  78           HA       GLU  78   9.719  -6.192 -11.357
  613   1HB   GLU  78          1HB       GLU  78  11.379  -4.938 -12.265
  614   2HB   GLU  78          2HB       GLU  78   9.580  -4.504 -12.685
  615   1HG   GLU  78          1HG       GLU  78  11.518  -3.299 -10.977
  616   2HG   GLU  78          2HG       GLU  78  11.354  -2.615 -12.461
  617    HE2  GLU  78           HE       GLU  78   9.275  -1.604 -12.881
  618    H    ALA  79           H        ALA  79   9.665  -4.532  -7.932
  619    HA   ALA  79           HA       ALA  79  12.242  -5.435  -7.168
  620   1HB   ALA  79          1HB       ALA  79  12.041  -2.350  -7.384
  621   2HB   ALA  79          2HB       ALA  79  13.343  -3.406  -7.028
  622   3HB   ALA  79          3HB       ALA  79  12.765  -3.328  -8.704
  623    H    MET  80           H        MET  80  12.649  -5.212  -5.168
  624    HA   MET  80           HA       MET  80  10.754  -4.398  -3.302
  625   1HB   MET  80          1HB       MET  80  13.790  -4.990  -2.992
  626   2HB   MET  80          2HB       MET  80  12.843  -4.794  -1.393
  627   1HG   MET  80          1HG       MET  80  12.514  -6.878  -3.660
  628   2HG   MET  80          2HG       MET  80  13.323  -6.899  -2.119
  629   1HE   MET  80          1HE       MET  80   8.961  -5.822  -2.618
  630   2HE   MET  80          2HE       MET  80   9.471  -7.219  -3.757
  631   3HE   MET  80          3HE       MET  80   8.351  -7.231  -2.334
  632    HA   PRO  81           HA       PRO  81   9.379  -3.113  -2.841
  633   1HB   PRO  81          1HB       PRO  81   8.925  -2.441  -0.448
  634   2HB   PRO  81          2HB       PRO  81  10.403  -3.507  -0.598
  635   1HG   PRO  81          1HG       PRO  81  10.678  -0.690   0.171
  636   2HG   PRO  81          2HG       PRO  81  11.769  -1.917   0.422
  637   1HD   PRO  81          1HD       PRO  81  11.388   0.217  -1.603
  638   2HD   PRO  81          2HD       PRO  81  12.734  -0.593  -1.631
  639    H    THR  82           H        THR  82   7.746  -2.375  -2.817
  640    HA   THR  82           HA       THR  82   7.454   0.237  -4.304
  641    HB   THR  82           HB       THR  82   6.402  -2.648  -5.161
  642    HG1  THR  82           1HG      THR  82   8.502  -2.557  -5.806
  643   1HG2  THR  82          1HG2      THR  82   4.887  -1.249  -6.380
  644   2HG2  THR  82          2HG2      THR  82   6.049  -0.125  -6.635
  645   3HG2  THR  82          3HG2      THR  82   6.264  -1.823  -7.378
  646    H    PHE  83           H        PHE  83   5.811   0.758  -4.445
  647    HA   PHE  83           HA       PHE  83   3.487   0.581  -2.455
  648   1HB   PHE  83          1HB       PHE  83   5.132   3.191  -2.895
  649   2HB   PHE  83          2HB       PHE  83   3.593   3.432  -2.243
  650    HD1  PHE  83           1HD      PHE  83   6.871   2.982  -1.684
  651    HD2  PHE  83           2HD      PHE  83   3.470   1.650   0.128
  652    HE1  PHE  83           1HE      PHE  83   8.256   2.139   0.292
  653    HE2  PHE  83           2HE      PHE  83   4.665   0.868   2.004
  654    HZ   PHE  83           HZ       PHE  83   7.016   1.093   2.170
  655    H    ILE  84           H        ILE  84   1.898   0.512  -3.754
  656    HA   ILE  84           HA       ILE  84   1.327   2.006  -6.111
  657    HB   ILE  84           HB       ILE  84   0.366  -0.983  -5.364
  658   1HG1  ILE  84          1HG1      ILE  84   1.744   0.080  -7.986
  659   2HG1  ILE  84          2HG1      ILE  84   2.826  -0.050  -6.609
  660   1HG2  ILE  84          1HG2      ILE  84  -1.581  -0.219  -6.475
  661   2HG2  ILE  84          2HG2      ILE  84  -0.500   0.615  -7.744
  662   3HG2  ILE  84          3HG2      ILE  84  -0.701  -1.190  -7.629
  663   1HD1  ILE  84          1HD1      ILE  84   1.349  -2.149  -7.962
  664   2HD1  ILE  84          2HD1      ILE  84   2.999  -1.953  -8.016
  665   3HD1  ILE  84          3HD1      ILE  84   2.338  -2.335  -6.419
  666    H    PHE  85           H        PHE  85  -0.309   2.882  -6.532
  667    HA   PHE  85           HA       PHE  85  -2.203   3.855  -4.344
  668   1HB   PHE  85          1HB       PHE  85  -0.744   5.429  -6.709
  669   2HB   PHE  85          2HB       PHE  85  -1.940   6.121  -5.870
  670    HD1  PHE  85           1HD      PHE  85   1.351   4.472  -5.717
  671    HD2  PHE  85           2HD      PHE  85  -1.302   7.301  -3.878
  672    HE1  PHE  85           1HE      PHE  85   3.043   4.921  -3.822
  673    HE2  PHE  85           2HE      PHE  85   0.469   7.978  -2.374
  674    HZ   PHE  85           HZ       PHE  85   2.575   6.599  -2.132
  675    H    LEU  86           H        LEU  86  -3.778   2.850  -4.717
  676    HA   LEU  86           HA       LEU  86  -5.349   2.698  -7.300
  677   1HB   LEU  86          1HB       LEU  86  -4.316   0.622  -6.341
  678   2HB   LEU  86          2HB       LEU  86  -5.475   0.482  -5.117
  679    HG   LEU  86           HG       LEU  86  -6.025  -0.950  -6.676
  680   1HD1  LEU  86          1HD1      LEU  86  -8.051   0.333  -6.566
  681   2HD1  LEU  86          2HD1      LEU  86  -7.516   1.246  -7.967
  682   3HD1  LEU  86          3HD1      LEU  86  -7.889  -0.517  -8.038
  683   1HD2  LEU  86          1HD2      LEU  86  -4.486  -1.045  -8.464
  684   2HD2  LEU  86          2HD2      LEU  86  -5.806  -0.494  -9.345
  685   3HD2  LEU  86          3HD2      LEU  86  -4.697   0.695  -8.787
  686    H    LYS  87           H        LYS  87  -7.060   3.751  -7.124
  687    HA   LYS  87           HA       LYS  87  -8.542   4.507  -4.679
  688   1HB   LYS  87          1HB       LYS  87  -7.024   6.038  -6.117
  689   2HB   LYS  87          2HB       LYS  87  -8.050   5.713  -7.485
  690   1HG   LYS  87          1HG       LYS  87  -9.959   6.867  -6.486
  691   2HG   LYS  87          2HG       LYS  87  -9.212   7.094  -4.933
  692   1HD   LYS  87          1HD       LYS  87  -7.303   8.443  -6.373
  693   2HD   LYS  87          2HD       LYS  87  -8.590   8.308  -7.663
  694   1HE   LYS  87          1HE       LYS  87 -10.037   9.532  -5.521
  695   2HE   LYS  87          2HE       LYS  87  -8.468   9.725  -4.822
  696   1HZ   LYS  87          1HZ       LYS  87  -9.258  11.651  -6.324
  697   2HZ   LYS  87          2HZ       LYS  87  -7.709  11.118  -6.445
  698    H    ASP  88           H        ASP  88 -10.991   4.843  -5.094
  699    HA   ASP  88           HA       ASP  88 -12.478   3.616  -7.031
  700   1HB   ASP  88          1HB       ASP  88 -14.194   5.309  -6.691
  701   2HB   ASP  88          2HB       ASP  88 -13.468   4.702  -5.221
  702    HD2  ASP  88           HD       ASP  88 -12.097   7.849  -4.493
  703    H    GLY  89           H        GLY  89 -10.330   4.299  -8.707
  704   1HA   GLY  89          1HA       GLY  89 -11.612   5.242 -11.127
  705   2HA   GLY  89          2HA       GLY  89 -10.522   6.481 -10.552
  706    H    LYS  90           H        LYS  90 -10.070   2.936 -10.176
  707    HA   LYS  90           HA       LYS  90  -8.767   1.367 -11.039
  708   1HB   LYS  90          1HB       LYS  90  -8.695   3.223 -13.599
  709   2HB   LYS  90          2HB       LYS  90  -7.699   1.798 -13.441
  710   1HG   LYS  90          1HG       LYS  90  -9.626   0.315 -12.929
  711   2HG   LYS  90          2HG       LYS  90 -10.800   1.626 -13.025
  712   1HD   LYS  90          1HD       LYS  90  -8.837   1.161 -15.463
  713   2HD   LYS  90          2HD       LYS  90 -10.105   0.016 -15.087
  714   1HE   LYS  90          1HE       LYS  90 -11.948   1.815 -15.257
  715   2HE   LYS  90          2HE       LYS  90 -10.619   2.989 -15.390
  716   1HZ   LYS  90          1HZ       LYS  90 -11.377   1.064 -17.380
  717   2HZ   LYS  90          2HZ       LYS  90  -9.968   1.825 -17.391
  718    H    LEU  91           H        LEU  91  -6.269   1.666 -12.346
  719    HA   LEU  91           HA       LEU  91  -4.524   2.411 -10.090
  720   1HB   LEU  91          1HB       LEU  91  -3.893   0.359 -11.414
  721   2HB   LEU  91          2HB       LEU  91  -4.032   1.329 -12.915
  722    HG   LEU  91           HG       LEU  91  -1.891   2.533 -12.142
  723   1HD1  LEU  91          1HD1      LEU  91  -0.479   1.439 -10.206
  724   2HD1  LEU  91          2HD1      LEU  91  -1.834   2.605  -9.794
  725   3HD1  LEU  91          3HD1      LEU  91  -2.085   0.904  -9.650
  726   1HD2  LEU  91          1HD2      LEU  91  -0.489   0.509 -12.622
  727   2HD2  LEU  91          2HD2      LEU  91  -1.757  -0.618 -12.066
  728   3HD2  LEU  91          3HD2      LEU  91  -2.014   0.386 -13.546
  729    H    VAL  92           H        VAL  92  -4.917   4.450  -9.760
  730    HA   VAL  92           HA       VAL  92  -4.234   6.594 -11.503
  731    HB   VAL  92           HB       VAL  92  -4.399   7.901  -9.319
  732   1HG1  VAL  92          1HG1      VAL  92  -6.720   7.767  -9.048
  733   2HG1  VAL  92          2HG1      VAL  92  -6.309   7.582 -10.631
  734   3HG1  VAL  92          3HG1      VAL  92  -6.877   6.098  -9.712
  735   1HG2  VAL  92          1HG2      VAL  92  -5.065   7.238  -7.286
  736   2HG2  VAL  92          2HG2      VAL  92  -5.059   5.499  -7.581
  737   3HG2  VAL  92          3HG2      VAL  92  -3.517   6.350  -7.633
  738    H    ASP  93           H        ASP  93  -1.969   5.261  -8.991
  739    HA   ASP  93           HA       ASP  93   0.349   6.117 -10.654
  740   1HB   ASP  93          1HB       ASP  93  -0.795   8.112  -9.316
  741   2HB   ASP  93          2HB       ASP  93  -0.066   7.456  -7.930
  742    HD2  ASP  93           HD       ASP  93   1.879   7.950  -7.418
  743    H    LYS  94           H        LYS  94   2.610   6.014  -9.322
  744    HA   LYS  94           HA       LYS  94   2.797   3.717  -7.552
  745   1HB   LYS  94          1HB       LYS  94   3.977   2.184  -8.895
  746   2HB   LYS  94          2HB       LYS  94   2.319   2.376  -9.379
  747   1HG   LYS  94          1HG       LYS  94   4.868   3.518 -10.863
  748   2HG   LYS  94          2HG       LYS  94   4.141   2.222 -11.322
  749   1HD   LYS  94          1HD       LYS  94   3.003   4.846 -11.689
  750   2HD   LYS  94          2HD       LYS  94   3.616   3.873 -12.917
  751   1HE   LYS  94          1HE       LYS  94   1.606   2.326 -12.674
  752   2HE   LYS  94          2HE       LYS  94   0.849   3.331 -11.375
  753   1HZ   LYS  94          1HZ       LYS  94   0.104   3.628 -13.764
  754   2HZ   LYS  94          2HZ       LYS  94   0.520   4.955 -12.974
  755    H    THR  95           H        THR  95   4.996   3.292  -6.859
  756    HA   THR  95           HA       THR  95   7.214   4.817  -7.613
  757    HB   THR  95           HB       THR  95   6.041   5.819  -5.104
  758    HG1  THR  95           1HG      THR  95   5.465   6.547  -7.111
  759   1HG2  THR  95          1HG2      THR  95   8.729   5.734  -4.773
  760   2HG2  THR  95          2HG2      THR  95   8.756   7.017  -5.956
  761   3HG2  THR  95          3HG2      THR  95   7.817   7.268  -4.413
  762    H    VAL  96           H        VAL  96   8.911   4.333  -5.689
  763    HA   VAL  96           HA       VAL  96   8.792   1.767  -4.439
  764    HB   VAL  96           HB       VAL  96   8.722   0.726  -6.399
  765   1HG1  VAL  96          1HG1      VAL  96  10.271   3.006  -7.798
  766   2HG1  VAL  96          2HG1      VAL  96  11.065   1.345  -8.160
  767   3HG1  VAL  96          3HG1      VAL  96   9.248   1.548  -8.362
  768   1HG2  VAL  96          1HG2      VAL  96  11.617   0.160  -5.584
  769   2HG2  VAL  96          2HG2      VAL  96  10.266  -0.082  -4.878
  770   3HG2  VAL  96          3HG2      VAL  96  10.534  -0.851  -6.479
  771    H    GLY  97           H        GLY  97   9.295   2.647  -2.717
  772   1HA   GLY  97          1HA       GLY  97  11.996   2.727  -2.135
  773   2HA   GLY  97          2HA       GLY  97  11.771   4.539  -2.411
  774    H    ALA  98           H        ALA  98  11.842   1.991  -0.291
  775    HA   ALA  98           HA       ALA  98  10.205   2.675   2.046
  776   1HB   ALA  98          1HB       ALA  98  11.072   0.603   1.868
  777   2HB   ALA  98          2HB       ALA  98  12.822   1.245   1.633
  778   3HB   ALA  98          3HB       ALA  98  12.023   1.394   3.265
  779    H    ASP  99           H        ASP  99  10.350   5.136   2.305
  780    HA   ASP  99           HA       ASP  99  12.851   6.211   3.454
  781   1HB   ASP  99          1HB       ASP  99  12.264   6.415   0.939
  782   2HB   ASP  99          2HB       ASP  99  10.903   7.417   1.276
  783    HD2  ASP  99           HD       ASP  99  13.098  10.219   2.206
  784    H    LYS 100           H        LYS 100  12.135   6.693   5.322
  785    HA   LYS 100           HA       LYS 100   9.966   7.012   6.780
  786   1HB   LYS 100          1HB       LYS 100  10.842   8.061   8.670
  787   2HB   LYS 100          2HB       LYS 100  12.042   6.966   8.050
  788   1HG   LYS 100          1HG       LYS 100  12.158  10.013   7.874
  789   2HG   LYS 100          2HG       LYS 100  12.930   9.047   8.935
  790   1HD   LYS 100          1HD       LYS 100  14.107   7.910   7.011
  791   2HD   LYS 100          2HD       LYS 100  13.347   9.022   5.973
  792   1HE   LYS 100          1HE       LYS 100  14.595  10.958   7.105
  793   2HE   LYS 100          2HE       LYS 100  15.514   9.655   8.006
  794   1HZ   LYS 100          1HZ       LYS 100  16.591  10.405   5.954
  795   2HZ   LYS 100          2HZ       LYS 100  16.325   8.754   5.959
  796    H    ASP 101           H        ASP 101  11.233  10.171   5.789
  797    HA   ASP 101           HA       ASP 101   8.568  11.543   5.908
  798   1HB   ASP 101          1HB       ASP 101   9.774  13.560   5.085
  799   2HB   ASP 101          2HB       ASP 101  10.579  12.828   6.402
  800    HD2  ASP 101           HD       ASP 101  12.430  13.549   2.902
  801    H    GLY 102           H        GLY 102  10.464  10.139   3.098
  802   1HA   GLY 102          1HA       GLY 102   9.148  11.066   0.855
  803   2HA   GLY 102          2HA       GLY 102   9.739   9.392   1.128
  804    H    LEU 103           H        LEU 103   8.045   8.116   2.462
  805    HA   LEU 103           HA       LEU 103   5.704   7.524   0.796
  806   1HB   LEU 103          1HB       LEU 103   7.088   5.915   2.038
  807   2HB   LEU 103          2HB       LEU 103   6.755   6.634   3.568
  808    HG   LEU 103           HG       LEU 103   4.321   6.058   3.279
  809   1HD1  LEU 103          1HD1      LEU 103   3.733   4.231   1.322
  810   2HD1  LEU 103          2HD1      LEU 103   4.029   5.940   0.838
  811   3HD1  LEU 103          3HD1      LEU 103   5.388   4.710   0.716
  812   1HD2  LEU 103          1HD2      LEU 103   4.630   3.381   3.379
  813   2HD2  LEU 103          2HD2      LEU 103   6.406   3.730   3.220
  814   3HD2  LEU 103          3HD2      LEU 103   5.478   4.437   4.580
  815    HA   PRO 104           HA       PRO 104   2.987  10.174   4.344
  816   1HB   PRO 104          1HB       PRO 104   5.239  11.941   5.108
  817   2HB   PRO 104          2HB       PRO 104   3.785  11.471   5.997
  818   1HG   PRO 104          1HG       PRO 104   6.321  10.290   6.479
  819   2HG   PRO 104          2HG       PRO 104   4.832   9.305   6.596
  820   1HD   PRO 104          1HD       PRO 104   6.845   9.366   4.345
  821   2HD   PRO 104          2HD       PRO 104   5.915   8.026   5.025
  822    H    THR 105           H        THR 105   5.667  11.678   2.694
  823    HA   THR 105           HA       THR 105   4.323  14.187   1.825
  824    HB   THR 105           HB       THR 105   6.917  12.542   1.077
  825    HG1  THR 105           1HG      THR 105   6.506  14.956   2.335
  826   1HG2  THR 105          1HG2      THR 105   7.912  14.569   0.210
  827   2HG2  THR 105          2HG2      THR 105   6.783  13.853  -0.914
  828   3HG2  THR 105          3HG2      THR 105   6.369  15.317   0.011
  829    H    LEU 106           H        LEU 106   4.980  11.296   0.038
  830    HA   LEU 106           HA       LEU 106   3.606  12.039  -2.425
  831   1HB   LEU 106          1HB       LEU 106   5.418  10.594  -2.399
  832   2HB   LEU 106          2HB       LEU 106   4.644   9.377  -1.362
  833    HG   LEU 106           HG       LEU 106   3.082   8.720  -3.032
  834   1HD1  LEU 106          1HD1      LEU 106   3.283   9.282  -5.539
  835   2HD1  LEU 106          2HD1      LEU 106   2.738  10.648  -4.576
  836   3HD1  LEU 106          3HD1      LEU 106   4.311  10.613  -5.180
  837   1HD2  LEU 106          1HD2      LEU 106   4.579   7.461  -4.430
  838   2HD2  LEU 106          2HD2      LEU 106   5.858   8.539  -4.164
  839   3HD2  LEU 106          3HD2      LEU 106   5.194   7.531  -2.823
  840    H    VAL 107           H        VAL 107   2.552   9.927   0.264
  841    HA   VAL 107           HA       VAL 107  -0.180   9.601  -0.670
  842    HB   VAL 107           HB       VAL 107   0.974   9.263   2.109
  843   1HG1  VAL 107          1HG1      VAL 107  -1.189   9.960   2.839
  844   2HG1  VAL 107          2HG1      VAL 107  -2.035   9.168   1.518
  845   3HG1  VAL 107          3HG1      VAL 107  -1.251   8.170   2.916
  846   1HG2  VAL 107          1HG2      VAL 107   0.496   6.813   1.458
  847   2HG2  VAL 107          2HG2      VAL 107  -0.210   7.382   0.014
  848   3HG2  VAL 107          3HG2      VAL 107   1.489   7.619   0.277
  849    H    ALA 108           H        ALA 108   1.052  12.041   1.807
  850    HA   ALA 108           HA       ALA 108  -1.287  13.471   2.091
  851   1HB   ALA 108          1HB       ALA 108   0.398  15.457   2.551
  852   2HB   ALA 108          2HB       ALA 108   0.660  13.915   3.407
  853   3HB   ALA 108          3HB       ALA 108   1.586  14.403   1.952
  854    H    LYS 109           H        LYS 109   0.897  13.819  -0.565
  855    HA   LYS 109           HA       LYS 109  -0.419  16.056  -2.033
  856   1HB   LYS 109          1HB       LYS 109   1.538  13.756  -2.881
  857   2HB   LYS 109          2HB       LYS 109   0.842  14.955  -4.105
  858   1HG   LYS 109          1HG       LYS 109   1.882  16.722  -3.009
  859   2HG   LYS 109          2HG       LYS 109   2.340  15.853  -1.566
  860   1HD   LYS 109          1HD       LYS 109   3.871  14.383  -2.897
  861   2HD   LYS 109          2HD       LYS 109   3.502  15.326  -4.357
  862   1HE   LYS 109          1HE       LYS 109   4.227  17.436  -3.284
  863   2HE   LYS 109          2HE       LYS 109   4.766  16.567  -1.823
  864   1HZ   LYS 109          1HZ       LYS 109   5.672  15.826  -4.396
  865   2HZ   LYS 109          2HZ       LYS 109   6.259  17.173  -3.880
  866    H    HIS 110           H        HIS 110  -1.043  12.333  -2.057
  867    HA   HIS 110           HA       HIS 110  -3.087  12.435  -4.214
  868   1HB   HIS 110          1HB       HIS 110  -2.021  10.177  -2.339
  869   2HB   HIS 110          2HB       HIS 110  -3.529  10.150  -3.205
  870    HD1  HIS 110           1HD      HIS 110  -3.631   9.801  -5.638
  871    HD2  HIS 110           2HD      HIS 110   0.141  10.719  -4.301
  872    HE1  HIS 110           1HE      HIS 110  -1.826   8.802  -7.419
  873    H    ALA 111           H        ALA 111  -3.192  11.923  -0.783
  874    HA   ALA 111           HA       ALA 111  -5.932  11.975  -0.159
  875   1HB   ALA 111          1HB       ALA 111  -5.092  12.874   2.135
  876   2HB   ALA 111          2HB       ALA 111  -4.043  11.646   1.470
  877   3HB   ALA 111          3HB       ALA 111  -3.481  13.251   1.349
  878    H    THR 112           H        THR 112  -3.952  14.981  -0.470
  879    HA   THR 112           HA       THR 112  -6.047  16.996   0.052
  880    HB   THR 112           HB       THR 112  -3.457  17.211  -1.610
  881    HG1  THR 112           1HG      THR 112  -2.538  17.925   0.334
  882   1HG2  THR 112          1HG2      THR 112  -4.527  19.338  -2.120
  883   2HG2  THR 112          2HG2      THR 112  -4.944  19.662  -0.352
  884   3HG2  THR 112          3HG2      THR 112  -3.303  19.629  -0.890
  885    H    ALA 113           H        ALA 113  -4.740  15.743  -3.108
  886    HA   ALA 113           HA       ALA 113  -6.899  16.681  -4.815
  887   1HB   ALA 113          1HB       ALA 113  -5.022  14.237  -5.190
  888   2HB   ALA 113          2HB       ALA 113  -6.058  15.076  -6.454
  889   3HB   ALA 113          3HB       ALA 113  -4.696  15.892  -5.687
  890    HXT  ALA 113           HO       ALA 113  -9.553  14.793  -3.834
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1 -13.630   9.910  16.255
    2   2H    ALA   1          2H        ALA   1 -14.179   8.536  17.019
    3    HA   ALA   1           HA       ALA   1 -11.308   9.208  16.733
    4   1HB   ALA   1          1HB       ALA   1 -10.969   6.766  17.121
    5   2HB   ALA   1          2HB       ALA   1 -11.690   7.520  18.566
    6   3HB   ALA   1          3HB       ALA   1 -12.683   6.529  17.404
    7    H    GLU   2           H        GLU   2 -10.717   9.090  14.402
    8    HA   GLU   2           HA       GLU   2 -12.096   7.242  12.464
    9   1HB   GLU   2          1HB       GLU   2 -13.663   9.139  12.773
   10   2HB   GLU   2          2HB       GLU   2 -12.413  10.252  12.194
   11   1HG   GLU   2          1HG       GLU   2 -12.402   8.965   9.981
   12   2HG   GLU   2          2HG       GLU   2 -13.572   7.850  10.645
   13    HE2  GLU   2           HE       GLU   2 -14.701  11.347   9.090
   14    H    GLU   3           H        GLU   3 -10.465   6.470  11.523
   15    HA   GLU   3           HA       GLU   3  -8.041   8.044  10.443
   16   1HB   GLU   3          1HB       GLU   3  -6.389   6.896  11.670
   17   2HB   GLU   3          2HB       GLU   3  -7.455   7.756  12.713
   18   1HG   GLU   3          1HG       GLU   3  -8.688   5.656  13.440
   19   2HG   GLU   3          2HG       GLU   3  -7.806   4.764  12.286
   20    HE2  GLU   3           HE       GLU   3  -4.766   4.520  13.680
   21    H    GLY   4           H        GLY   4  -6.463   6.562   9.612
   22   1HA   GLY   4          1HA       GLY   4  -7.310   4.465   7.568
   23   2HA   GLY   4          2HA       GLY   4  -5.739   5.254   7.777
   24    H    GLN   5           H        GLN   5  -5.880   2.361   7.580
   25    HA   GLN   5           HA       GLN   5  -4.886   1.468  10.233
   26   1HB   GLN   5          1HB       GLN   5  -6.488  -0.341  10.491
   27   2HB   GLN   5          2HB       GLN   5  -7.254   1.177  10.333
   28   1HG   GLN   5          1HG       GLN   5  -7.704   0.682   7.848
   29   2HG   GLN   5          2HG       GLN   5  -7.032  -0.898   8.209
   30   1HE2  GLN   5          1HE2      GLN   5  -8.585  -2.330   8.287
   31   2HE2  GLN   5          2HE2      GLN   5 -10.331  -2.030   8.862
   32    H    VAL   6           H        VAL   6  -3.331   0.022   9.953
   33    HA   VAL   6           HA       VAL   6  -2.441  -0.987   7.400
   34    HB   VAL   6           HB       VAL   6  -1.184  -0.936  10.177
   35   1HG1  VAL   6          1HG1      VAL   6   0.952  -1.385   8.905
   36   2HG1  VAL   6          2HG1      VAL   6  -0.225  -2.745   8.852
   37   3HG1  VAL   6          3HG1      VAL   6   0.038  -1.792   7.447
   38   1HG2  VAL   6          1HG2      VAL   6  -1.108   1.013   7.770
   39   2HG2  VAL   6          2HG2      VAL   6  -1.197   1.430   9.488
   40   3HG2  VAL   6          3HG2      VAL   6   0.354   0.870   8.872
   41    H    ILE   7           H        ILE   7  -3.212  -2.753   6.862
   42    HA   ILE   7           HA       ILE   7  -3.756  -5.131   8.647
   43    HB   ILE   7           HB       ILE   7  -5.744  -3.868   7.384
   44   1HG1  ILE   7          1HG1      ILE   7  -5.887  -5.996   8.690
   45   2HG1  ILE   7          2HG1      ILE   7  -7.068  -5.822   7.371
   46   1HG2  ILE   7          1HG2      ILE   7  -6.555  -4.784   5.187
   47   2HG2  ILE   7          2HG2      ILE   7  -5.172  -3.901   4.955
   48   3HG2  ILE   7          3HG2      ILE   7  -4.952  -5.625   5.012
   49   1HD1  ILE   7          1HD1      ILE   7  -5.484  -7.600   6.108
   50   2HD1  ILE   7          2HD1      ILE   7  -4.448  -7.609   7.629
   51   3HD1  ILE   7          3HD1      ILE   7  -6.036  -8.190   7.751
   52    H    ALA   8           H        ALA   8  -2.058  -6.285   8.400
   53    HA   ALA   8           HA       ALA   8  -0.492  -7.025   6.109
   54   1HB   ALA   8          1HB       ALA   8   0.223  -8.885   7.420
   55   2HB   ALA   8          2HB       ALA   8  -0.193  -7.623   8.664
   56   3HB   ALA   8          3HB       ALA   8  -1.274  -8.931   8.352
   57    H    CYS   9           H        CYS   9  -0.513  -8.271   4.519
   58    HA   CYS   9           HA       CYS   9  -2.874  -9.918   3.687
   59   1HB   CYS   9          1HB       CYS   9  -1.128  -8.010   2.041
   60   2HB   CYS   9          2HB       CYS   9  -2.302  -9.114   1.383
   61    HG   CYS   9           HG       CYS   9  -4.257  -8.050   2.940
   62    H    HIS  10           H        HIS  10  -2.594 -11.606   2.449
   63    HA   HIS  10           HA       HIS  10  -0.105 -12.969   2.821
   64   1HB   HIS  10          1HB       HIS  10  -2.821 -13.763   3.972
   65   2HB   HIS  10          2HB       HIS  10  -1.470 -14.873   3.850
   66    HD1  HIS  10           1HD      HIS  10  -2.139 -11.701   6.037
   67    HD2  HIS  10           2HD      HIS  10   0.228 -15.323   5.633
   68    HE1  HIS  10           1HE      HIS  10  -0.474 -11.976   7.941
   69    H    THR  11           H        THR  11  -3.348 -13.443   1.314
   70    HA   THR  11           HA       THR  11  -2.351 -15.313  -0.623
   71    HB   THR  11           HB       THR  11  -4.053 -17.058  -0.016
   72    HG1  THR  11           1HG      THR  11  -5.107 -16.797   2.177
   73   1HG2  THR  11          1HG2      THR  11  -3.187 -17.921   2.082
   74   2HG2  THR  11          2HG2      THR  11  -2.016 -17.627   0.867
   75   3HG2  THR  11          3HG2      THR  11  -2.093 -16.491   2.232
   76    H    VAL  12           H        VAL  12  -4.673 -16.091  -1.878
   77    HA   VAL  12           HA       VAL  12  -5.744 -14.032  -3.286
   78    HB   VAL  12           HB       VAL  12  -5.819 -16.443  -3.701
   79   1HG1  VAL  12          1HG1      VAL  12  -8.264 -16.368  -1.803
   80   2HG1  VAL  12          2HG1      VAL  12  -7.924 -17.834  -2.761
   81   3HG1  VAL  12          3HG1      VAL  12  -6.682 -17.345  -1.554
   82   1HG2  VAL  12          1HG2      VAL  12  -8.630 -15.315  -4.036
   83   2HG2  VAL  12          2HG2      VAL  12  -7.197 -14.690  -4.962
   84   3HG2  VAL  12          3HG2      VAL  12  -7.649 -16.315  -5.210
   85    H    ASP  13           H        ASP  13  -6.554 -14.330  -0.205
   86    HA   ASP  13           HA       ASP  13  -9.274 -13.037  -0.013
   87   1HB   ASP  13          1HB       ASP  13  -7.044 -13.616   2.228
   88   2HB   ASP  13          2HB       ASP  13  -8.490 -12.758   2.525
   89    HD2  ASP  13           HD       ASP  13  -7.254 -15.672   1.778
   90    H    THR  14           H        THR  14  -5.811 -11.953   0.208
   91    HA   THR  14           HA       THR  14  -6.509  -9.106   0.518
   92    HB   THR  14           HB       THR  14  -4.256  -9.859   0.846
   93    HG1  THR  14           1HG      THR  14  -4.668  -7.803  -1.011
   94   1HG2  THR  14          1HG2      THR  14  -3.798  -9.511  -2.298
   95   2HG2  THR  14          2HG2      THR  14  -2.556  -9.903  -1.012
   96   3HG2  THR  14          3HG2      THR  14  -3.868 -11.057  -1.471
   97    H    TRP  15           H        TRP  15  -6.558 -11.224  -2.256
   98    HA   TRP  15           HA       TRP  15  -6.902  -9.228  -4.370
   99   1HB   TRP  15          1HB       TRP  15  -7.629 -12.173  -4.529
  100   2HB   TRP  15          2HB       TRP  15  -8.369 -11.209  -5.635
  101    HD1  TRP  15           HD       TRP  15  -4.667 -12.387  -4.758
  102    HE1  TRP  15           1HE      TRP  15  -3.230 -12.082  -6.970
  103    HE3  TRP  15           3HE      TRP  15  -8.283  -9.966  -7.779
  104    HZ2  TRP  15           2HZ      TRP  15  -3.911 -11.294  -9.648
  105    HZ3  TRP  15           3HZ      TRP  15  -7.700  -9.453 -10.136
  106    HH2  TRP  15           HH       TRP  15  -5.642 -10.156 -10.975
  107    H    LYS  16           H        LYS  16  -9.435 -11.053  -2.564
  108    HA   LYS  16           HA       LYS  16 -11.698  -9.388  -3.249
  109   1HB   LYS  16          1HB       LYS  16 -11.265 -10.777  -0.584
  110   2HB   LYS  16          2HB       LYS  16 -12.786  -9.986  -1.124
  111   1HG   LYS  16          1HG       LYS  16 -12.627 -11.673  -3.032
  112   2HG   LYS  16          2HG       LYS  16 -11.330 -12.489  -2.323
  113   1HD   LYS  16          1HD       LYS  16 -14.200 -12.171  -1.049
  114   2HD   LYS  16          2HD       LYS  16 -13.444 -13.621  -1.841
  115   1HE   LYS  16          1HE       LYS  16 -11.854 -13.965  -0.116
  116   2HE   LYS  16          2HE       LYS  16 -12.299 -12.525   0.767
  117   1HZ   LYS  16          1HZ       LYS  16 -13.809 -14.996   0.390
  118   2HZ   LYS  16          2HZ       LYS  16 -13.290 -14.358   1.792
  119    H    GLU  17           H        GLU  17  -9.149  -8.697  -0.789
  120    HA   GLU  17           HA       GLU  17 -10.609  -6.358   0.351
  121   1HB   GLU  17          1HB       GLU  17  -7.906  -7.365   1.016
  122   2HB   GLU  17          2HB       GLU  17  -8.615  -5.885   1.657
  123   1HG   GLU  17          1HG       GLU  17 -10.646  -7.407   2.509
  124   2HG   GLU  17          2HG       GLU  17  -9.713  -8.722   2.061
  125    HE2  GLU  17           HE       GLU  17  -8.834  -6.284   5.237
  126    H    HIS  18           H        HIS  18  -7.594  -6.572  -1.540
  127    HA   HIS  18           HA       HIS  18  -7.189  -3.775  -1.881
  128   1HB   HIS  18          1HB       HIS  18  -5.370  -5.415  -2.210
  129   2HB   HIS  18          2HB       HIS  18  -6.295  -6.235  -3.595
  130    HD1  HIS  18           1HD      HIS  18  -5.780  -5.356  -6.043
  131    HD2  HIS  18           2HD      HIS  18  -4.411  -2.910  -2.885
  132    HE1  HIS  18           1HE      HIS  18  -4.278  -3.608  -7.009
  133    H    PHE  19           H        PHE  19  -8.720  -5.988  -4.108
  134    HA   PHE  19           HA       PHE  19  -9.500  -4.153  -6.080
  135   1HB   PHE  19          1HB       PHE  19  -9.381  -6.439  -6.806
  136   2HB   PHE  19          2HB       PHE  19 -10.616  -6.945  -5.732
  137    HD1  PHE  19           1HD      PHE  19 -13.024  -6.532  -6.443
  138    HD2  PHE  19           2HD      PHE  19  -9.760  -5.083  -8.843
  139    HE1  PHE  19           1HE      PHE  19 -14.608  -6.121  -8.400
  140    HE2  PHE  19           2HE      PHE  19 -11.362  -4.824 -10.731
  141    HZ   PHE  19           HZ       PHE  19 -13.718  -5.356 -10.512
  142    H    GLU  20           H        GLU  20 -11.573  -5.678  -3.604
  143    HA   GLU  20           HA       GLU  20 -14.053  -4.250  -4.277
  144   1HB   GLU  20          1HB       GLU  20 -13.405  -5.762  -1.628
  145   2HB   GLU  20          2HB       GLU  20 -14.936  -5.046  -1.988
  146   1HG   GLU  20          1HG       GLU  20 -13.693  -7.286  -3.650
  147   2HG   GLU  20          2HG       GLU  20 -14.986  -7.463  -2.436
  148    HE2  GLU  20           HE       GLU  20 -17.478  -6.211  -4.707
  149    H    LYS  21           H        LYS  21 -11.887  -3.558  -1.715
  150    HA   LYS  21           HA       LYS  21 -13.086  -0.984  -0.857
  151   1HB   LYS  21          1HB       LYS  21 -10.131  -1.655  -0.392
  152   2HB   LYS  21          2HB       LYS  21 -11.092  -0.341   0.300
  153   1HG   LYS  21          1HG       LYS  21 -11.665  -3.401   0.662
  154   2HG   LYS  21          2HG       LYS  21 -10.700  -2.631   1.749
  155   1HD   LYS  21          1HD       LYS  21 -12.670  -1.066   2.285
  156   2HD   LYS  21          2HD       LYS  21 -13.638  -2.089   1.284
  157   1HE   LYS  21          1HE       LYS  21 -14.048  -2.557   3.569
  158   2HE   LYS  21          2HE       LYS  21 -13.311  -4.027   2.961
  159   1HZ   LYS  21          1HZ       LYS  21 -11.958  -1.812   4.444
  160   2HZ   LYS  21          2HZ       LYS  21 -12.319  -3.370   4.996
  161    H    GLY  22           H        GLY  22 -10.189  -1.494  -2.792
  162   1HA   GLY  22          1HA       GLY  22  -9.751   1.177  -3.762
  163   2HA   GLY  22          2HA       GLY  22  -9.390  -0.231  -4.824
  164    H    LYS  23           H        LYS  23 -11.037  -1.005  -6.170
  165    HA   LYS  23           HA       LYS  23 -12.977   0.852  -7.312
  166   1HB   LYS  23          1HB       LYS  23 -11.412  -0.486  -8.685
  167   2HB   LYS  23          2HB       LYS  23 -12.412  -1.902  -8.194
  168   1HG   LYS  23          1HG       LYS  23 -14.350  -0.275  -8.935
  169   2HG   LYS  23          2HG       LYS  23 -13.110   0.352 -10.087
  170   1HD   LYS  23          1HD       LYS  23 -13.676  -2.658  -9.791
  171   2HD   LYS  23          2HD       LYS  23 -14.887  -1.572 -10.559
  172   1HE   LYS  23          1HE       LYS  23 -12.001  -1.762 -11.319
  173   2HE   LYS  23          2HE       LYS  23 -13.132  -2.882 -12.017
  174   1HZ   LYS  23          1HZ       LYS  23 -12.720  -1.076 -13.594
  175   2HZ   LYS  23          2HZ       LYS  23 -14.258  -0.790 -13.096
  176    H    GLY  24           H        GLY  24 -14.377   0.967  -5.595
  177   1HA   GLY  24          1HA       GLY  24 -16.576  -0.540  -5.811
  178   2HA   GLY  24          2HA       GLY  24 -15.838  -1.354  -4.432
  179    H    SER  25           H        SER  25 -14.513   1.061  -3.465
  180    HA   SER  25           HA       SER  25 -16.777   2.505  -2.107
  181   1HB   SER  25          1HB       SER  25 -14.273   1.302  -0.744
  182   2HB   SER  25          2HB       SER  25 -15.320   2.474   0.033
  183    HG   SER  25           HG       SER  25 -15.460   0.053   0.261
  184    H    GLN  26           H        GLN  26 -16.569   4.463  -2.156
  185    HA   GLN  26           HA       GLN  26 -14.518   6.153  -3.450
  186   1HB   GLN  26          1HB       GLN  26 -16.990   6.841  -1.799
  187   2HB   GLN  26          2HB       GLN  26 -15.815   8.056  -2.356
  188   1HG   GLN  26          1HG       GLN  26 -17.609   7.932  -4.041
  189   2HG   GLN  26          2HG       GLN  26 -16.000   7.633  -4.633
  190   1HE2  GLN  26          1HE2      GLN  26 -15.512   5.597  -5.395
  191   2HE2  GLN  26          2HE2      GLN  26 -16.813   4.601  -6.213
  192    H    LYS  27           H        LYS  27 -12.690   5.448  -2.533
  193    HA   LYS  27           HA       LYS  27 -11.577   7.005  -0.318
  194   1HB   LYS  27          1HB       LYS  27 -10.653   4.958   0.930
  195   2HB   LYS  27          2HB       LYS  27 -12.422   5.217   1.257
  196   1HG   LYS  27          1HG       LYS  27 -12.813   3.286  -0.481
  197   2HG   LYS  27          2HG       LYS  27 -11.082   3.133  -0.592
  198   1HD   LYS  27          1HD       LYS  27 -11.826   1.584   1.062
  199   2HD   LYS  27          2HD       LYS  27 -10.713   2.788   1.757
  200   1HE   LYS  27          1HE       LYS  27 -12.682   3.892   2.845
  201   2HE   LYS  27          2HE       LYS  27 -13.801   2.627   2.371
  202   1HZ   LYS  27          1HZ       LYS  27 -13.273   1.965   4.367
  203   2HZ   LYS  27          2HZ       LYS  27 -11.945   1.304   3.565
  204    H    LEU  28           H        LEU  28  -9.479   6.762  -0.245
  205    HA   LEU  28           HA       LEU  28  -7.987   5.671  -2.489
  206   1HB   LEU  28          1HB       LEU  28  -7.421   8.082  -1.849
  207   2HB   LEU  28          2HB       LEU  28  -6.926   7.444  -0.326
  208    HG   LEU  28           HG       LEU  28  -5.049   6.189  -1.416
  209   1HD1  LEU  28          1HD1      LEU  28  -4.228   6.840  -3.766
  210   2HD1  LEU  28          2HD1      LEU  28  -5.755   5.937  -3.746
  211   3HD1  LEU  28          3HD1      LEU  28  -5.856   7.665  -4.043
  212   1HD2  LEU  28          1HD2      LEU  28  -4.931   8.597  -0.368
  213   2HD2  LEU  28          2HD2      LEU  28  -3.593   7.856  -1.195
  214   3HD2  LEU  28          3HD2      LEU  28  -4.558   9.105  -2.081
  215    H    ILE  29           H        ILE  29  -6.492   4.149  -2.180
  216    HA   ILE  29           HA       ILE  29  -6.041   2.629   0.402
  217    HB   ILE  29           HB       ILE  29  -6.244   0.631  -0.539
  218   1HG1  ILE  29          1HG1      ILE  29  -7.310   1.432  -3.111
  219   2HG1  ILE  29          2HG1      ILE  29  -5.527   0.947  -2.954
  220   1HG2  ILE  29          1HG2      ILE  29  -8.797   0.529  -0.817
  221   2HG2  ILE  29          2HG2      ILE  29  -8.310   2.012   0.174
  222   3HG2  ILE  29          3HG2      ILE  29  -8.847   2.101  -1.451
  223   1HD1  ILE  29          1HD1      ILE  29  -7.020  -0.887  -3.811
  224   2HD1  ILE  29          2HD1      ILE  29  -6.514  -1.385  -2.266
  225   3HD1  ILE  29          3HD1      ILE  29  -8.030  -0.666  -2.341
  226    H    VAL  30           H        VAL  30  -3.899   2.026   0.619
  227    HA   VAL  30           HA       VAL  30  -1.871   2.464  -1.591
  228    HB   VAL  30           HB       VAL  30  -1.755   3.707   1.081
  229   1HG1  VAL  30          1HG1      VAL  30   0.404   3.603  -1.151
  230   2HG1  VAL  30          2HG1      VAL  30   0.495   4.695   0.282
  231   3HG1  VAL  30          3HG1      VAL  30   0.619   3.032   0.381
  232   1HG2  VAL  30          1HG2      VAL  30  -1.932   5.962   0.140
  233   2HG2  VAL  30          2HG2      VAL  30  -2.146   5.272  -1.445
  234   3HG2  VAL  30          3HG2      VAL  30  -3.360   5.009  -0.299
  235    H    VAL  31           H        VAL  31  -0.924   0.921  -1.691
  236    HA   VAL  31           HA       VAL  31  -0.214  -1.160   0.335
  237    HB   VAL  31           HB       VAL  31  -2.314  -1.509  -0.971
  238   1HG1  VAL  31          1HG1      VAL  31  -2.113  -0.336  -2.865
  239   2HG1  VAL  31          2HG1      VAL  31  -0.609  -1.184  -3.419
  240   3HG1  VAL  31          3HG1      VAL  31  -2.148  -2.032  -3.436
  241   1HG2  VAL  31          1HG2      VAL  31  -2.083  -3.726  -1.574
  242   2HG2  VAL  31          2HG2      VAL  31  -0.474  -3.637  -2.183
  243   3HG2  VAL  31          3HG2      VAL  31  -0.755  -3.778  -0.386
  244    H    ASP  32           H        ASP  32   1.540  -1.648   0.887
  245    HA   ASP  32           HA       ASP  32   3.998  -1.504  -0.604
  246   1HB   ASP  32          1HB       ASP  32   3.475  -1.331   2.043
  247   2HB   ASP  32          2HB       ASP  32   3.616  -2.946   2.160
  248    HD2  ASP  32           HD       ASP  32   7.051  -1.820   0.777
  249    H    PHE  33           H        PHE  33   4.787  -3.003  -1.851
  250    HA   PHE  33           HA       PHE  33   4.314  -5.976  -1.504
  251   1HB   PHE  33          1HB       PHE  33   5.191  -4.324  -3.895
  252   2HB   PHE  33          2HB       PHE  33   5.057  -6.132  -4.009
  253    HD1  PHE  33           1HD      PHE  33   2.826  -7.204  -3.780
  254    HD2  PHE  33           2HD      PHE  33   3.108  -2.994  -4.106
  255    HE1  PHE  33           1HE      PHE  33   0.361  -6.993  -4.561
  256    HE2  PHE  33           2HE      PHE  33   0.825  -2.844  -4.421
  257    HZ   PHE  33           HZ       PHE  33  -0.626  -4.879  -4.768
  258    H    THR  34           H        THR  34   5.695  -6.699  -0.370
  259    HA   THR  34           HA       THR  34   8.521  -5.736  -0.049
  260    HB   THR  34           HB       THR  34   7.691  -4.107   1.466
  261    HG1  THR  34           1HG      THR  34   9.113  -6.248   2.515
  262   1HG2  THR  34          1HG2      THR  34   5.824  -5.794   2.383
  263   2HG2  THR  34          2HG2      THR  34   7.218  -6.307   3.430
  264   3HG2  THR  34          3HG2      THR  34   6.673  -4.666   3.607
  265    H    ALA  35           H        ALA  35   9.512  -7.688   0.093
  266    HA   ALA  35           HA       ALA  35   8.723 -10.073   1.585
  267   1HB   ALA  35          1HB       ALA  35  10.087  -9.877  -0.325
  268   2HB   ALA  35          2HB       ALA  35  11.361  -8.701   0.612
  269   3HB   ALA  35          3HB       ALA  35  11.122 -10.443   0.916
  270    H    SER  36           H        SER  36   9.113 -10.798   3.340
  271    HA   SER  36           HA       SER  36   9.877  -9.390   5.746
  272   1HB   SER  36          1HB       SER  36   8.890 -11.760   5.650
  273   2HB   SER  36          2HB       SER  36  10.433 -12.311   5.381
  274    HG   SER  36           HG       SER  36  11.051 -11.219   7.286
  275    H    TRP  37           H        TRP  37  12.124 -10.458   3.465
  276    HA   TRP  37           HA       TRP  37  14.718 -10.263   4.905
  277   1HB   TRP  37          1HB       TRP  37  15.831 -10.603   2.710
  278   2HB   TRP  37          2HB       TRP  37  15.125 -11.990   3.483
  279    HD1  TRP  37           HD       TRP  37  12.793 -12.907   2.333
  280    HE1  TRP  37           1HE      TRP  37  11.974 -13.210   0.173
  281    HE3  TRP  37           3HE      TRP  37  16.178  -9.563   0.578
  282    HZ2  TRP  37           2HZ      TRP  37  12.668 -11.604  -2.534
  283    HZ3  TRP  37           3HZ      TRP  37  16.098  -9.118  -1.799
  284    HH2  TRP  37           HH       TRP  37  14.296 -10.042  -3.340
  285    H    CYS  38           H        CYS  38  13.615  -7.924   5.423
  286    HA   CYS  38           HA       CYS  38  15.016  -5.877   3.710
  287   1HB   CYS  38          1HB       CYS  38  12.719  -6.329   2.616
  288   2HB   CYS  38          2HB       CYS  38  11.958  -5.845   4.032
  289    HG   CYS  38           HG       CYS  38  11.889  -3.663   2.560
  290    HA   PRO  39           HA       PRO  39  14.970  -4.173   8.277
  291   1HB   PRO  39          1HB       PRO  39  17.345  -2.799   7.550
  292   2HB   PRO  39          2HB       PRO  39  17.009  -3.853   8.904
  293   1HG   PRO  39          1HG       PRO  39  18.570  -4.575   6.641
  294   2HG   PRO  39          2HG       PRO  39  17.786  -5.767   7.733
  295   1HD   PRO  39          1HD       PRO  39  17.005  -4.600   5.129
  296   2HD   PRO  39          2HD       PRO  39  16.798  -6.305   5.622
  297    HA   PRO  40           HA       PRO  40  14.378   0.277   6.046
  298   1HB   PRO  40          1HB       PRO  40  14.038  -0.588   3.188
  299   2HB   PRO  40          2HB       PRO  40  14.619   0.973   3.963
  300   1HG   PRO  40          1HG       PRO  40  16.294  -1.045   3.045
  301   2HG   PRO  40          2HG       PRO  40  16.804   0.034   4.298
  302   1HD   PRO  40          1HD       PRO  40  15.500  -2.891   4.284
  303   2HD   PRO  40          2HD       PRO  40  16.810  -2.377   5.476
  304    H    CYS  41           H        CYS  41  12.429  -2.179   4.377
  305    HA   CYS  41           HA       CYS  41   9.987  -1.045   5.360
  306   1HB   CYS  41          1HB       CYS  41  10.032  -3.751   4.186
  307   2HB   CYS  41          2HB       CYS  41   8.645  -2.719   4.589
  308    HG   CYS  41           HG       CYS  41   8.347  -2.036   2.360
  309    H    LYS  42           H        LYS  42  12.004  -3.148   6.915
  310    HA   LYS  42           HA       LYS  42  10.272  -3.837   9.236
  311   1HB   LYS  42          1HB       LYS  42  12.730  -4.743   8.801
  312   2HB   LYS  42          2HB       LYS  42  13.323  -3.247   9.602
  313   1HG   LYS  42          1HG       LYS  42  11.964  -3.900  11.653
  314   2HG   LYS  42          2HG       LYS  42  11.287  -5.187  10.908
  315   1HD   LYS  42          1HD       LYS  42  13.761  -6.139  10.867
  316   2HD   LYS  42          2HD       LYS  42  14.262  -4.801  11.827
  317   1HE   LYS  42          1HE       LYS  42  12.312  -5.518  13.463
  318   2HE   LYS  42          2HE       LYS  42  12.132  -6.951  12.437
  319   1HZ   LYS  42          1HZ       LYS  42  13.950  -7.886  13.244
  320   2HZ   LYS  42          2HZ       LYS  42  14.835  -6.582  13.386
  321    H    MET  43           H        MET  43  12.360  -1.071   8.997
  322    HA   MET  43           HA       MET  43  10.835   0.510  11.008
  323   1HB   MET  43          1HB       MET  43  12.444   2.322  10.720
  324   2HB   MET  43          2HB       MET  43  13.161   0.761  10.683
  325   1HG   MET  43          1HG       MET  43  13.312   0.737   8.186
  326   2HG   MET  43          2HG       MET  43  12.579   2.327   8.043
  327   1HE   MET  43          1HE       MET  43  15.008   4.663   7.947
  328   2HE   MET  43          2HE       MET  43  13.352   4.254   8.596
  329   3HE   MET  43          3HE       MET  43  14.739   4.636   9.700
  330    H    ILE  44           H        ILE  44  10.548   0.453   7.457
  331    HA   ILE  44           HA       ILE  44   8.674   2.628   7.307
  332    HB   ILE  44           HB       ILE  44   9.831   1.278   5.374
  333   1HG1  ILE  44          1HG1      ILE  44   8.270   2.743   3.708
  334   2HG1  ILE  44          2HG1      ILE  44   7.484   3.143   5.270
  335   1HG2  ILE  44          1HG2      ILE  44   6.876   0.620   4.921
  336   2HG2  ILE  44          2HG2      ILE  44   8.207   0.058   3.825
  337   3HG2  ILE  44          3HG2      ILE  44   7.869  -0.705   5.403
  338   1HD1  ILE  44          1HD1      ILE  44  10.464   3.562   4.807
  339   2HD1  ILE  44          2HD1      ILE  44   9.205   4.793   4.655
  340   3HD1  ILE  44          3HD1      ILE  44   9.634   4.109   6.207
  341    H    ALA  45           H        ALA  45   8.028  -0.551   8.400
  342    HA   ALA  45           HA       ALA  45   5.097  -0.598   8.190
  343   1HB   ALA  45          1HB       ALA  45   6.889  -2.277   9.930
  344   2HB   ALA  45          2HB       ALA  45   5.128  -2.059  10.219
  345   3HB   ALA  45          3HB       ALA  45   5.644  -2.752   8.697
  346    HA   PRO  46           HA       PRO  46   5.217   1.753  12.548
  347   1HB   PRO  46          1HB       PRO  46   8.243   2.489  12.404
  348   2HB   PRO  46          2HB       PRO  46   7.167   2.558  13.828
  349   1HG   PRO  46          1HG       PRO  46   8.646   0.494  13.454
  350   2HG   PRO  46          2HG       PRO  46   6.939   0.044  13.764
  351   1HD   PRO  46          1HD       PRO  46   8.191  -0.183  11.098
  352   2HD   PRO  46          2HD       PRO  46   6.885  -1.110  11.894
  353    H    ILE  47           H        ILE  47   7.195   3.010   9.836
  354    HA   ILE  47           HA       ILE  47   6.129   5.816  10.183
  355    HB   ILE  47           HB       ILE  47   7.567   4.536   7.733
  356   1HG1  ILE  47          1HG1      ILE  47   9.085   4.696   9.599
  357   2HG1  ILE  47          2HG1      ILE  47   9.709   5.933   8.484
  358   1HG2  ILE  47          1HG2      ILE  47   6.172   6.617   7.100
  359   2HG2  ILE  47          2HG2      ILE  47   7.308   7.561   8.026
  360   3HG2  ILE  47          3HG2      ILE  47   7.944   6.627   6.729
  361   1HD1  ILE  47          1HD1      ILE  47   9.840   6.915  10.468
  362   2HD1  ILE  47          2HD1      ILE  47   8.340   7.665   9.872
  363   3HD1  ILE  47          3HD1      ILE  47   8.292   6.466  11.169
  364    H    PHE  48           H        PHE  48   5.218   3.107   7.983
  365    HA   PHE  48           HA       PHE  48   2.992   4.137   6.640
  366   1HB   PHE  48          1HB       PHE  48   4.174   1.974   6.298
  367   2HB   PHE  48          2HB       PHE  48   3.496   1.218   7.597
  368    HD1  PHE  48           1HD      PHE  48   1.997  -0.365   6.943
  369    HD2  PHE  48           2HD      PHE  48   2.247   3.182   4.587
  370    HE1  PHE  48           1HE      PHE  48   0.633  -1.464   5.267
  371    HE2  PHE  48           2HE      PHE  48   0.962   1.985   2.725
  372    HZ   PHE  48           HZ       PHE  48   0.166  -0.251   3.053
  373    H    ALA  49           H        ALA  49   3.160   2.812   9.873
  374    HA   ALA  49           HA       ALA  49   0.345   2.922  10.504
  375   1HB   ALA  49          1HB       ALA  49   1.986   1.211  11.424
  376   2HB   ALA  49          2HB       ALA  49   2.735   2.529  12.522
  377   3HB   ALA  49          3HB       ALA  49   1.042   2.033  12.760
  378    H    GLU  50           H        GLU  50   3.170   5.125  11.556
  379    HA   GLU  50           HA       GLU  50   1.416   6.978  13.042
  380   1HB   GLU  50          1HB       GLU  50   3.992   6.756  13.155
  381   2HB   GLU  50          2HB       GLU  50   4.110   7.415  11.566
  382   1HG   GLU  50          1HG       GLU  50   3.260   9.606  12.474
  383   2HG   GLU  50          2HG       GLU  50   2.780   8.840  14.064
  384    HE2  GLU  50           HE       GLU  50   6.131  10.751  13.971
  385    H    LEU  51           H        LEU  51   2.592   7.003   9.589
  386    HA   LEU  51           HA       LEU  51   0.940   9.121   8.594
  387   1HB   LEU  51          1HB       LEU  51   2.895   8.172   7.401
  388   2HB   LEU  51          2HB       LEU  51   2.124   6.731   7.304
  389    HG   LEU  51           HG       LEU  51   2.382   8.254   5.246
  390   1HD1  LEU  51          1HD1      LEU  51   0.376   7.171   4.221
  391   2HD1  LEU  51          2HD1      LEU  51   1.294   6.044   5.226
  392   3HD1  LEU  51          3HD1      LEU  51  -0.238   6.770   5.759
  393   1HD2  LEU  51          1HD2      LEU  51   1.173  10.299   6.264
  394   2HD2  LEU  51          2HD2      LEU  51   0.424   9.801   4.760
  395   3HD2  LEU  51          3HD2      LEU  51  -0.355   9.307   6.230
  396    H    ALA  52           H        ALA  52  -0.032   5.833   9.141
  397    HA   ALA  52           HA       ALA  52  -2.776   5.875   8.029
  398   1HB   ALA  52          1HB       ALA  52  -1.580   3.736   8.460
  399   2HB   ALA  52          2HB       ALA  52  -1.750   4.037  10.196
  400   3HB   ALA  52          3HB       ALA  52  -3.176   3.896   9.306
  401    H    LYS  53           H        LYS  53  -1.548   6.818  11.159
  402    HA   LYS  53           HA       LYS  53  -4.118   7.442  12.461
  403   1HB   LYS  53          1HB       LYS  53  -1.335   7.800  13.218
  404   2HB   LYS  53          2HB       LYS  53  -2.640   8.366  14.294
  405   1HG   LYS  53          1HG       LYS  53  -3.472   6.243  14.777
  406   2HG   LYS  53          2HG       LYS  53  -2.727   5.505  13.373
  407   1HD   LYS  53          1HD       LYS  53  -0.391   6.060  14.708
  408   2HD   LYS  53          2HD       LYS  53  -1.581   6.282  16.044
  409   1HE   LYS  53          1HE       LYS  53  -2.300   3.811  15.909
  410   2HE   LYS  53          2HE       LYS  53  -1.395   3.568  14.452
  411   1HZ   LYS  53          1HZ       LYS  53  -0.212   4.168  17.082
  412   2HZ   LYS  53          2HZ       LYS  53  -0.333   2.649  16.462
  413    H    LYS  54           H        LYS  54  -1.739   9.217  10.569
  414    HA   LYS  54           HA       LYS  54  -2.589  11.898  11.314
  415   1HB   LYS  54          1HB       LYS  54  -0.173  11.244  10.789
  416   2HB   LYS  54          2HB       LYS  54  -0.733  10.864   9.094
  417   1HG   LYS  54          1HG       LYS  54  -1.540  13.301   8.856
  418   2HG   LYS  54          2HG       LYS  54  -0.870  13.647  10.441
  419   1HD   LYS  54          1HD       LYS  54   0.803  12.532   8.058
  420   2HD   LYS  54          2HD       LYS  54   0.713  14.293   8.588
  421   1HE   LYS  54          1HE       LYS  54   1.784  13.719  10.746
  422   2HE   LYS  54          2HE       LYS  54   1.971  11.985  10.248
  423   1HZ   LYS  54          1HZ       LYS  54   3.970  12.779   9.722
  424   2HZ   LYS  54          2HZ       LYS  54   3.232  13.060   8.312
  425    H    PHE  55           H        PHE  55  -3.375   9.633   9.040
  426    HA   PHE  55           HA       PHE  55  -4.981  11.473   7.260
  427   1HB   PHE  55          1HB       PHE  55  -2.695   9.579   6.678
  428   2HB   PHE  55          2HB       PHE  55  -3.953   9.660   5.581
  429    HD1  PHE  55           1HD      PHE  55  -1.246  11.879   6.914
  430    HD2  PHE  55           2HD      PHE  55  -4.892  11.906   4.642
  431    HE1  PHE  55           1HE      PHE  55  -0.637  14.068   5.914
  432    HE2  PHE  55           2HE      PHE  55  -4.343  14.003   3.685
  433    HZ   PHE  55           HZ       PHE  55  -2.303  15.164   4.422
  434    HA   PRO  56           HA       PRO  56  -8.456   8.430   8.384
  435   1HB   PRO  56          1HB       PRO  56 -10.376  10.056   8.297
  436   2HB   PRO  56          2HB       PRO  56  -9.090  10.163   9.476
  437   1HG   PRO  56          1HG       PRO  56  -9.209  11.569   6.772
  438   2HG   PRO  56          2HG       PRO  56  -9.149  12.359   8.390
  439   1HD   PRO  56          1HD       PRO  56  -6.930  11.911   6.890
  440   2HD   PRO  56          2HD       PRO  56  -6.811  11.813   8.617
  441    H    ASN  57           H        ASN  57  -8.120   9.593   5.218
  442    HA   ASN  57           HA       ASN  57 -10.677   8.656   4.210
  443   1HB   ASN  57          1HB       ASN  57 -10.323   9.928   2.176
  444   2HB   ASN  57          2HB       ASN  57 -10.414  10.876   3.621
  445   1HD2  ASN  57          2HD2      ASN  57  -8.729  12.055   4.194
  446   2HD2  ASN  57          1HD2      ASN  57  -7.163  12.342   3.114
  447    H    VAL  58           H        VAL  58  -8.035   7.129   4.880
  448    HA   VAL  58           HA       VAL  58  -7.475   5.907   2.243
  449    HB   VAL  58           HB       VAL  58  -6.354   7.952   2.073
  450   1HG1  VAL  58          1HG1      VAL  58  -4.980   7.766   4.786
  451   2HG1  VAL  58          2HG1      VAL  58  -4.569   8.858   3.387
  452   3HG1  VAL  58          3HG1      VAL  58  -6.237   8.875   4.256
  453   1HG2  VAL  58          1HG2      VAL  58  -5.223   6.157   1.166
  454   2HG2  VAL  58          2HG2      VAL  58  -3.932   7.322   1.807
  455   3HG2  VAL  58          3HG2      VAL  58  -4.433   5.759   2.675
  456    H    THR  59           H        THR  59  -7.653   3.938   2.547
  457    HA   THR  59           HA       THR  59  -6.998   2.344   4.884
  458    HB   THR  59           HB       THR  59  -7.718   1.435   2.086
  459    HG1  THR  59           1HG      THR  59  -9.513   2.255   2.971
  460   1HG2  THR  59          1HG2      THR  59  -7.523  -0.320   4.606
  461   2HG2  THR  59          2HG2      THR  59  -8.426  -0.752   3.156
  462   3HG2  THR  59          3HG2      THR  59  -6.727  -0.508   3.039
  463    H    PHE  60           H        PHE  60  -5.479   0.742   4.945
  464    HA   PHE  60           HA       PHE  60  -3.046   0.870   3.180
  465   1HB   PHE  60          1HB       PHE  60  -2.726   1.335   6.214
  466   2HB   PHE  60          2HB       PHE  60  -1.474   1.204   5.131
  467    HD1  PHE  60           1HD      PHE  60  -1.390   2.880   3.261
  468    HD2  PHE  60           2HD      PHE  60  -3.994   3.530   6.596
  469    HE1  PHE  60           1HE      PHE  60  -1.305   5.356   2.909
  470    HE2  PHE  60           2HE      PHE  60  -4.034   5.907   6.118
  471    HZ   PHE  60           HZ       PHE  60  -2.596   7.000   4.442
  472    H    LEU  61           H        LEU  61  -2.277  -0.880   2.697
  473    HA   LEU  61           HA       LEU  61  -2.493  -3.305   4.319
  474   1HB   LEU  61          1HB       LEU  61  -3.766  -4.570   3.017
  475   2HB   LEU  61          2HB       LEU  61  -4.581  -2.982   2.873
  476    HG   LEU  61           HG       LEU  61  -2.974  -3.154   0.523
  477   1HD1  LEU  61          1HD1      LEU  61  -4.094  -5.946   0.806
  478   2HD1  LEU  61          2HD1      LEU  61  -3.251  -5.399  -0.598
  479   3HD1  LEU  61          3HD1      LEU  61  -2.394  -5.643   1.010
  480   1HD2  LEU  61          1HD2      LEU  61  -5.481  -2.607   0.490
  481   2HD2  LEU  61          2HD2      LEU  61  -5.079  -3.784  -0.726
  482   3HD2  LEU  61          3HD2      LEU  61  -5.717  -4.247   0.993
  483    H    LYS  62           H        LYS  62  -1.287  -5.024   3.568
  484    HA   LYS  62           HA       LYS  62   1.201  -4.219   2.089
  485   1HB   LYS  62          1HB       LYS  62   2.647  -4.573   4.122
  486   2HB   LYS  62          2HB       LYS  62   1.686  -3.187   4.161
  487   1HG   LYS  62          1HG       LYS  62   0.179  -4.356   5.861
  488   2HG   LYS  62          2HG       LYS  62   1.121  -5.849   5.801
  489   1HD   LYS  62          1HD       LYS  62   2.123  -3.127   6.873
  490   2HD   LYS  62          2HD       LYS  62   1.348  -4.472   7.805
  491   1HE   LYS  62          1HE       LYS  62   4.086  -4.532   6.346
  492   2HE   LYS  62          2HE       LYS  62   3.887  -4.558   8.014
  493   1HZ   LYS  62          1HZ       LYS  62   4.334  -6.873   7.577
  494   2HZ   LYS  62          2HZ       LYS  62   3.021  -7.021   6.546
  495    H    VAL  63           H        VAL  63   1.326  -5.729   0.830
  496    HA   VAL  63           HA       VAL  63   0.721  -8.481   1.308
  497    HB   VAL  63           HB       VAL  63   1.765  -7.170  -1.210
  498   1HG1  VAL  63          1HG1      VAL  63   0.542 -10.013  -0.652
  499   2HG1  VAL  63          2HG1      VAL  63   0.921  -9.487  -2.227
  500   3HG1  VAL  63          3HG1      VAL  63   2.241  -9.782  -1.021
  501   1HG2  VAL  63          1HG2      VAL  63  -1.094  -7.872  -0.464
  502   2HG2  VAL  63          2HG2      VAL  63  -0.402  -6.328  -0.835
  503   3HG2  VAL  63          3HG2      VAL  63  -0.549  -7.554  -2.057
  504    H    ASP  64           H        ASP  64   2.066 -10.008   2.180
  505    HA   ASP  64           HA       ASP  64   5.033 -10.046   2.038
  506   1HB   ASP  64          1HB       ASP  64   3.457 -11.293   3.727
  507   2HB   ASP  64          2HB       ASP  64   2.750 -12.169   2.469
  508    HD2  ASP  64           HD       ASP  64   6.120 -13.302   4.230
  509    H    VAL  65           H        VAL  65   5.569  -9.657   0.135
  510    HA   VAL  65           HA       VAL  65   4.670 -10.757  -2.477
  511    HB   VAL  65           HB       VAL  65   5.939  -8.693  -1.953
  512   1HG1  VAL  65          1HG1      VAL  65   8.052  -9.866  -0.920
  513   2HG1  VAL  65          2HG1      VAL  65   8.422 -10.410  -2.575
  514   3HG1  VAL  65          3HG1      VAL  65   8.501  -8.627  -1.960
  515   1HG2  VAL  65          1HG2      VAL  65   6.636  -8.316  -4.151
  516   2HG2  VAL  65          2HG2      VAL  65   6.998 -10.103  -4.490
  517   3HG2  VAL  65          3HG2      VAL  65   5.317  -9.611  -4.347
  518    H    ASP  66           H        ASP  66   6.645 -12.251  -0.269
  519    HA   ASP  66           HA       ASP  66   7.698 -14.332  -2.187
  520   1HB   ASP  66          1HB       ASP  66   7.692 -14.768   0.799
  521   2HB   ASP  66          2HB       ASP  66   8.372 -16.013  -0.259
  522    HD2  ASP  66           HD       ASP  66  10.472 -12.925   0.972
  523    H    GLU  67           H        GLU  67   4.951 -14.264  -0.046
  524    HA   GLU  67           HA       GLU  67   3.730 -16.782  -0.850
  525   1HB   GLU  67          1HB       GLU  67   2.959 -14.250   0.710
  526   2HB   GLU  67          2HB       GLU  67   1.713 -15.223   0.002
  527   1HG   GLU  67          1HG       GLU  67   2.640 -17.305   1.268
  528   2HG   GLU  67          2HG       GLU  67   3.596 -16.115   2.150
  529    HE2  GLU  67           HE       GLU  67  -0.021 -16.612   3.306
  530    H    LEU  68           H        LEU  68   4.034 -13.787  -2.520
  531    HA   LEU  68           HA       LEU  68   1.991 -14.410  -4.647
  532   1HB   LEU  68          1HB       LEU  68   1.698 -12.048  -2.414
  533   2HB   LEU  68          2HB       LEU  68   0.805 -11.934  -3.879
  534    HG   LEU  68           HG       LEU  68   0.250 -14.271  -2.012
  535   1HD1  LEU  68          1HD1      LEU  68  -1.922 -12.821  -1.331
  536   2HD1  LEU  68          2HD1      LEU  68  -0.426 -12.222  -0.681
  537   3HD1  LEU  68          3HD1      LEU  68  -1.045 -11.509  -2.161
  538   1HD2  LEU  68          1HD2      LEU  68  -1.746 -14.626  -3.239
  539   2HD2  LEU  68          2HD2      LEU  68  -1.436 -13.087  -4.184
  540   3HD2  LEU  68          3HD2      LEU  68  -0.340 -14.403  -4.324
  541    H    LYS  69           H        LYS  69   4.272 -14.197  -4.983
  542    HA   LYS  69           HA       LYS  69   5.475 -11.696  -6.174
  543   1HB   LYS  69          1HB       LYS  69   7.303 -12.935  -7.152
  544   2HB   LYS  69          2HB       LYS  69   7.065 -13.233  -5.488
  545   1HG   LYS  69          1HG       LYS  69   5.858 -15.456  -6.118
  546   2HG   LYS  69          2HG       LYS  69   6.313 -15.093  -7.800
  547   1HD   LYS  69          1HD       LYS  69   7.912 -16.538  -7.063
  548   2HD   LYS  69          2HD       LYS  69   8.813 -15.029  -7.003
  549   1HE   LYS  69          1HE       LYS  69   8.443 -15.042  -4.482
  550   2HE   LYS  69          2HE       LYS  69   7.469 -16.555  -4.647
  551   1HZ   LYS  69          1HZ       LYS  69   9.589 -17.283  -4.068
  552   2HZ   LYS  69          2HZ       LYS  69   9.211 -17.797  -5.558
  553    H    ALA  70           H        ALA  70   3.578 -14.117  -7.698
  554    HA   ALA  70           HA       ALA  70   3.957 -13.559 -10.536
  555   1HB   ALA  70          1HB       ALA  70   1.761 -14.922 -10.740
  556   2HB   ALA  70          2HB       ALA  70   3.147 -15.698 -10.098
  557   3HB   ALA  70          3HB       ALA  70   1.856 -15.155  -8.990
  558    H    VAL  71           H        VAL  71   1.128 -12.812  -8.532
  559    HA   VAL  71           HA       VAL  71   0.050 -10.713 -10.357
  560    HB   VAL  71           HB       VAL  71  -1.552 -11.885  -8.672
  561   1HG1  VAL  71          1HG1      VAL  71  -1.408 -11.415  -6.143
  562   2HG1  VAL  71          2HG1      VAL  71  -0.091 -12.220  -6.932
  563   3HG1  VAL  71          3HG1      VAL  71   0.126 -10.489  -6.515
  564   1HG2  VAL  71          1HG2      VAL  71  -2.373  -9.612  -9.425
  565   2HG2  VAL  71          2HG2      VAL  71  -2.680  -9.871  -7.800
  566   3HG2  VAL  71          3HG2      VAL  71  -1.204  -8.933  -8.144
  567    H    ALA  72           H        ALA  72   2.013 -10.262  -7.206
  568    HA   ALA  72           HA       ALA  72   2.403  -7.408  -7.293
  569   1HB   ALA  72          1HB       ALA  72   4.551  -9.572  -7.062
  570   2HB   ALA  72          2HB       ALA  72   4.885  -8.046  -6.335
  571   3HB   ALA  72          3HB       ALA  72   3.536  -8.998  -5.691
  572    H    GLU  73           H        GLU  73   3.951  -9.621  -9.209
  573    HA   GLU  73           HA       GLU  73   5.766  -7.845 -10.799
  574   1HB   GLU  73          1HB       GLU  73   6.244 -10.212 -10.393
  575   2HB   GLU  73          2HB       GLU  73   4.791 -10.657 -11.251
  576   1HG   GLU  73          1HG       GLU  73   5.443  -9.585 -13.314
  577   2HG   GLU  73          2HG       GLU  73   6.894  -9.010 -12.627
  578    HE2  GLU  73           HE       GLU  73   8.342  -9.914 -13.678
  579    H    GLU  74           H        GLU  74   2.603  -9.204 -11.251
  580    HA   GLU  74           HA       GLU  74   1.962  -8.061 -13.985
  581   1HB   GLU  74          1HB       GLU  74   0.180  -9.330 -13.820
  582   2HB   GLU  74          2HB       GLU  74   0.636  -9.865 -12.223
  583   1HG   GLU  74          1HG       GLU  74  -1.675  -9.285 -12.031
  584   2HG   GLU  74          2HG       GLU  74  -1.087  -7.883 -11.387
  585    HE2  GLU  74           HE       GLU  74  -3.480  -7.757 -11.981
  586    H    TRP  75           H        TRP  75   1.055  -6.693 -10.532
  587    HA   TRP  75           HA       TRP  75   0.125  -4.155 -11.472
  588   1HB   TRP  75          1HB       TRP  75   1.462  -4.301  -8.828
  589   2HB   TRP  75          2HB       TRP  75   0.317  -3.176  -9.381
  590    HD1  TRP  75           HD       TRP  75   0.646  -6.209  -7.317
  591    HE1  TRP  75           1HE      TRP  75  -1.651  -7.416  -6.668
  592    HE3  TRP  75           3HE      TRP  75  -2.180  -4.106 -10.862
  593    HZ2  TRP  75           2HZ      TRP  75  -3.815  -7.761  -7.914
  594    HZ3  TRP  75           3HZ      TRP  75  -4.500  -4.878 -11.204
  595    HH2  TRP  75           HH       TRP  75  -5.275  -6.928 -10.033
  596    H    ASN  76           H        ASN  76   3.407  -5.022 -10.502
  597    HA   ASN  76           HA       ASN  76   4.793  -4.539 -12.535
  598   1HB   ASN  76          1HB       ASN  76   3.686  -2.275 -13.199
  599   2HB   ASN  76          2HB       ASN  76   4.390  -1.562 -11.813
  600   1HD2  ASN  76          1HD2      ASN  76   5.129  -3.735 -14.475
  601   2HD2  ASN  76          2HD2      ASN  76   6.438  -2.750 -15.185
  602    H    VAL  77           H        VAL  77   5.749  -5.981 -10.823
  603    HA   VAL  77           HA       VAL  77   7.800  -4.492  -9.298
  604    HB   VAL  77           HB       VAL  77   5.979  -6.615  -7.740
  605   1HG1  VAL  77          1HG1      VAL  77   6.744  -5.296  -5.834
  606   2HG1  VAL  77          2HG1      VAL  77   7.912  -6.405  -6.607
  607   3HG1  VAL  77          3HG1      VAL  77   8.204  -4.974  -6.784
  608   1HG2  VAL  77          1HG2      VAL  77   5.555  -3.521  -7.391
  609   2HG2  VAL  77          2HG2      VAL  77   4.344  -4.559  -8.240
  610   3HG2  VAL  77          3HG2      VAL  77   4.737  -4.875  -6.591
  611    H    GLU  78           H        GLU  78   9.064  -5.461 -10.416
  612    HA   GLU  78           HA       GLU  78  10.286  -7.844  -9.070
  613   1HB   GLU  78          1HB       GLU  78  11.912  -8.130 -10.722
  614   2HB   GLU  78          2HB       GLU  78  10.257  -8.481 -11.186
  615   1HG   GLU  78          1HG       GLU  78  10.166  -6.875 -12.800
  616   2HG   GLU  78          2HG       GLU  78  11.547  -5.930 -12.317
  617    HE2  GLU  78           HE       GLU  78  12.270  -5.821 -14.448
  618    H    ALA  79           H        ALA  79   9.983  -5.222  -7.798
  619    HA   ALA  79           HA       ALA  79  12.791  -4.582  -7.254
  620   1HB   ALA  79          1HB       ALA  79  10.705  -2.542  -8.231
  621   2HB   ALA  79          2HB       ALA  79  12.544  -2.173  -7.842
  622   3HB   ALA  79          3HB       ALA  79  12.235  -3.144  -9.026
  623    H    MET  80           H        MET  80  13.104  -4.593  -5.409
  624    HA   MET  80           HA       MET  80  11.030  -4.410  -3.194
  625   1HB   MET  80          1HB       MET  80  13.840  -5.427  -2.774
  626   2HB   MET  80          2HB       MET  80  12.809  -5.199  -1.407
  627   1HG   MET  80          1HG       MET  80  11.722  -7.084  -3.571
  628   2HG   MET  80          2HG       MET  80  12.496  -7.468  -2.225
  629   1HE   MET  80          1HE       MET  80   9.599  -6.756  -4.191
  630   2HE   MET  80          2HE       MET  80   8.205  -6.757  -3.227
  631   3HE   MET  80          3HE       MET  80   8.965  -5.287  -3.613
  632    HA   PRO  81           HA       PRO  81   9.806  -2.869  -3.153
  633   1HB   PRO  81          1HB       PRO  81   9.026  -2.543  -0.554
  634   2HB   PRO  81          2HB       PRO  81  10.281  -3.648  -0.850
  635   1HG   PRO  81          1HG       PRO  81  10.338  -0.733   0.264
  636   2HG   PRO  81          2HG       PRO  81  11.552  -1.991   0.640
  637   1HD   PRO  81          1HD       PRO  81  11.848   0.162  -1.388
  638   2HD   PRO  81          2HD       PRO  81  12.953  -1.161  -0.963
  639    H    THR  82           H        THR  82   7.984  -2.455  -2.865
  640    HA   THR  82           HA       THR  82   7.519  -0.007  -4.453
  641    HB   THR  82           HB       THR  82   5.917  -2.520  -4.890
  642    HG1  THR  82           1HG      THR  82   7.888  -3.229  -5.760
  643   1HG2  THR  82          1HG2      THR  82   6.032  -1.601  -7.451
  644   2HG2  THR  82          2HG2      THR  82   5.051  -0.601  -6.028
  645   3HG2  THR  82          3HG2      THR  82   6.630  -0.019  -6.716
  646    H    PHE  83           H        PHE  83   5.986   1.008  -3.911
  647    HA   PHE  83           HA       PHE  83   3.301   0.562  -2.520
  648   1HB   PHE  83          1HB       PHE  83   4.647   3.322  -2.748
  649   2HB   PHE  83          2HB       PHE  83   3.258   3.004  -1.961
  650    HD1  PHE  83           1HD      PHE  83   6.746   2.959  -1.373
  651    HD2  PHE  83           2HD      PHE  83   2.883   1.755   0.229
  652    HE1  PHE  83           1HE      PHE  83   7.759   2.968   0.749
  653    HE2  PHE  83           2HE      PHE  83   3.892   1.589   2.462
  654    HZ   PHE  83           HZ       PHE  83   6.580   1.988   2.636
  655    H    ILE  84           H        ILE  84   1.796   0.544  -3.667
  656    HA   ILE  84           HA       ILE  84   1.450   2.039  -6.073
  657    HB   ILE  84           HB       ILE  84   1.213  -0.840  -5.331
  658   1HG1  ILE  84          1HG1      ILE  84   2.012   0.095  -7.957
  659   2HG1  ILE  84          2HG1      ILE  84   3.041   0.334  -6.612
  660   1HG2  ILE  84          1HG2      ILE  84  -1.116  -0.743  -5.902
  661   2HG2  ILE  84          2HG2      ILE  84  -1.012   0.166  -7.089
  662   3HG2  ILE  84          3HG2      ILE  84  -0.244  -1.375  -7.388
  663   1HD1  ILE  84          1HD1      ILE  84   3.664  -1.630  -7.915
  664   2HD1  ILE  84          2HD1      ILE  84   3.096  -2.138  -6.235
  665   3HD1  ILE  84          3HD1      ILE  84   2.042  -2.401  -7.706
  666    H    PHE  85           H        PHE  85   0.101   3.202  -6.227
  667    HA   PHE  85           HA       PHE  85  -2.139   3.680  -4.255
  668   1HB   PHE  85          1HB       PHE  85  -0.974   5.492  -6.532
  669   2HB   PHE  85          2HB       PHE  85  -2.188   6.032  -5.524
  670    HD1  PHE  85           1HD      PHE  85   1.410   4.913  -4.894
  671    HD2  PHE  85           2HD      PHE  85  -2.012   7.290  -3.641
  672    HE1  PHE  85           1HE      PHE  85   2.600   5.790  -2.942
  673    HE2  PHE  85           2HE      PHE  85  -0.806   8.020  -1.658
  674    HZ   PHE  85           HZ       PHE  85   1.533   7.310  -1.294
  675    H    LEU  86           H        LEU  86  -3.788   2.829  -4.723
  676    HA   LEU  86           HA       LEU  86  -5.244   2.592  -7.404
  677   1HB   LEU  86          1HB       LEU  86  -3.847   0.406  -6.072
  678   2HB   LEU  86          2HB       LEU  86  -5.148   0.698  -4.998
  679    HG   LEU  86           HG       LEU  86  -5.928  -1.012  -6.172
  680   1HD1  LEU  86          1HD1      LEU  86  -7.690   0.702  -6.297
  681   2HD1  LEU  86          2HD1      LEU  86  -7.384   1.106  -8.010
  682   3HD1  LEU  86          3HD1      LEU  86  -7.847  -0.552  -7.501
  683   1HD2  LEU  86          1HD2      LEU  86  -4.180  -1.256  -7.919
  684   2HD2  LEU  86          2HD2      LEU  86  -5.744  -1.372  -8.726
  685   3HD2  LEU  86          3HD2      LEU  86  -4.759   0.190  -8.664
  686    H    LYS  87           H        LYS  87  -6.685   3.894  -7.038
  687    HA   LYS  87           HA       LYS  87  -8.415   4.281  -4.627
  688   1HB   LYS  87          1HB       LYS  87  -6.948   6.044  -5.961
  689   2HB   LYS  87          2HB       LYS  87  -8.058   5.967  -7.206
  690   1HG   LYS  87          1HG       LYS  87  -9.747   6.798  -5.445
  691   2HG   LYS  87          2HG       LYS  87  -8.529   6.938  -4.289
  692   1HD   LYS  87          1HD       LYS  87  -7.302   8.695  -5.366
  693   2HD   LYS  87          2HD       LYS  87  -8.133   8.494  -6.906
  694   1HE   LYS  87          1HE       LYS  87 -10.391   9.311  -5.841
  695   2HE   LYS  87          2HE       LYS  87  -9.467   9.643  -4.422
  696   1HZ   LYS  87          1HZ       LYS  87  -9.652  11.521  -5.688
  697   2HZ   LYS  87          2HZ       LYS  87  -8.128  11.156  -5.634
  698    H    ASP  88           H        ASP  88 -10.747   4.612  -5.072
  699    HA   ASP  88           HA       ASP  88 -12.207   3.451  -7.203
  700   1HB   ASP  88          1HB       ASP  88 -13.955   5.032  -6.793
  701   2HB   ASP  88          2HB       ASP  88 -13.135   4.727  -5.205
  702    HD2  ASP  88           HD       ASP  88 -12.339   7.850  -4.339
  703    H    GLY  89           H        GLY  89 -10.071   4.000  -8.885
  704   1HA   GLY  89          1HA       GLY  89 -11.441   4.533 -11.269
  705   2HA   GLY  89          2HA       GLY  89 -10.459   5.915 -11.038
  706    H    LYS  90           H        LYS  90  -9.942   2.473 -10.118
  707    HA   LYS  90           HA       LYS  90  -8.246   0.961 -10.358
  708   1HB   LYS  90          1HB       LYS  90  -7.737   2.196 -13.142
  709   2HB   LYS  90          2HB       LYS  90  -7.178   0.550 -12.560
  710   1HG   LYS  90          1HG       LYS  90  -9.474  -0.172 -12.447
  711   2HG   LYS  90          2HG       LYS  90 -10.147   1.336 -13.024
  712   1HD   LYS  90          1HD       LYS  90  -8.087  -0.249 -14.630
  713   2HD   LYS  90          2HD       LYS  90  -9.779  -0.686 -14.775
  714   1HE   LYS  90          1HE       LYS  90 -10.013   1.955 -15.329
  715   2HE   LYS  90          2HE       LYS  90  -8.271   2.124 -15.356
  716   1HZ   LYS  90          1HZ       LYS  90  -8.883  -0.059 -16.983
  717   2HZ   LYS  90          2HZ       LYS  90  -8.050   1.344 -17.186
  718    H    LEU  91           H        LEU  91  -5.706   1.129 -11.514
  719    HA   LEU  91           HA       LEU  91  -4.076   2.341  -9.314
  720   1HB   LEU  91          1HB       LEU  91  -3.315   0.252 -10.828
  721   2HB   LEU  91          2HB       LEU  91  -3.406   1.097 -12.256
  722    HG   LEU  91           HG       LEU  91  -1.438   2.415 -11.693
  723   1HD1  LEU  91          1HD1      LEU  91   0.176   1.816  -9.828
  724   2HD1  LEU  91          2HD1      LEU  91  -1.408   2.414  -9.156
  725   3HD1  LEU  91          3HD1      LEU  91  -1.049   0.648  -9.238
  726   1HD2  LEU  91          1HD2      LEU  91   0.090   0.603 -12.468
  727   2HD2  LEU  91          2HD2      LEU  91  -0.661  -0.468 -11.246
  728   3HD2  LEU  91          3HD2      LEU  91  -1.410  -0.314 -12.602
  729    H    VAL  92           H        VAL  92  -4.157   4.379  -8.994
  730    HA   VAL  92           HA       VAL  92  -3.953   6.440 -11.131
  731    HB   VAL  92           HB       VAL  92  -4.189   8.134  -9.376
  732   1HG1  VAL  92          1HG1      VAL  92  -6.561   7.748  -8.863
  733   2HG1  VAL  92          2HG1      VAL  92  -6.117   7.347 -10.380
  734   3HG1  VAL  92          3HG1      VAL  92  -6.484   6.035  -9.292
  735   1HG2  VAL  92          1HG2      VAL  92  -4.489   7.700  -7.028
  736   2HG2  VAL  92          2HG2      VAL  92  -4.847   5.948  -7.274
  737   3HG2  VAL  92          3HG2      VAL  92  -3.266   6.533  -7.489
  738    H    ASP  93           H        ASP  93  -1.678   4.886  -9.168
  739    HA   ASP  93           HA       ASP  93   0.462   6.261 -10.555
  740   1HB   ASP  93          1HB       ASP  93  -0.682   8.150  -8.890
  741   2HB   ASP  93          2HB       ASP  93  -0.051   7.163  -7.638
  742    HD2  ASP  93           HD       ASP  93   1.933   7.425  -7.089
  743    H    LYS  94           H        LYS  94   2.780   6.249  -9.256
  744    HA   LYS  94           HA       LYS  94   3.125   3.874  -7.618
  745   1HB   LYS  94          1HB       LYS  94   4.473   2.689  -9.209
  746   2HB   LYS  94          2HB       LYS  94   2.847   2.809  -9.697
  747   1HG   LYS  94          1HG       LYS  94   5.251   4.347 -10.854
  748   2HG   LYS  94          2HG       LYS  94   4.634   2.858 -11.379
  749   1HD   LYS  94          1HD       LYS  94   3.040   5.383 -11.783
  750   2HD   LYS  94          2HD       LYS  94   3.850   4.235 -12.884
  751   1HE   LYS  94          1HE       LYS  94   2.281   2.420 -12.338
  752   2HE   LYS  94          2HE       LYS  94   1.333   3.758 -11.384
  753   1HZ   LYS  94          1HZ       LYS  94   1.297   3.135 -14.078
  754   2HZ   LYS  94          2HZ       LYS  94   0.312   4.183 -13.070
  755    H    THR  95           H        THR  95   4.915   3.563  -6.464
  756    HA   THR  95           HA       THR  95   7.376   5.375  -6.592
  757    HB   THR  95           HB       THR  95   5.360   5.675  -4.418
  758    HG1  THR  95           1HG      THR  95   5.226   7.558  -5.106
  759   1HG2  THR  95          1HG2      THR  95   7.611   5.362  -3.321
  760   2HG2  THR  95          2HG2      THR  95   8.259   6.549  -4.312
  761   3HG2  THR  95          3HG2      THR  95   7.000   7.038  -3.226
  762    H    VAL  96           H        VAL  96   8.893   4.096  -6.234
  763    HA   VAL  96           HA       VAL  96   8.934   1.917  -4.230
  764    HB   VAL  96           HB       VAL  96   8.564   1.018  -6.336
  765   1HG1  VAL  96          1HG1      VAL  96  10.201   1.251  -8.485
  766   2HG1  VAL  96          2HG1      VAL  96   8.980   2.322  -8.132
  767   3HG1  VAL  96          3HG1      VAL  96  10.725   2.759  -7.629
  768   1HG2  VAL  96          1HG2      VAL  96  10.084  -0.123  -4.967
  769   2HG2  VAL  96          2HG2      VAL  96  10.400  -0.669  -6.549
  770   3HG2  VAL  96          3HG2      VAL  96  11.502   0.513  -5.673
  771    H    GLY  97           H        GLY  97  10.078   2.231  -2.955
  772   1HA   GLY  97          1HA       GLY  97  12.550   2.453  -2.381
  773   2HA   GLY  97          2HA       GLY  97  12.344   4.182  -2.614
  774    H    ALA  98           H        ALA  98  11.608   1.659  -0.227
  775    HA   ALA  98           HA       ALA  98  10.061   3.278   1.503
  776   1HB   ALA  98          1HB       ALA  98  10.468   0.772   2.058
  777   2HB   ALA  98          2HB       ALA  98  12.187   0.977   1.948
  778   3HB   ALA  98          3HB       ALA  98  11.294   1.728   3.224
  779    H    ASP  99           H        ASP  99  10.408   5.206   2.364
  780    HA   ASP  99           HA       ASP  99  12.868   5.902   3.756
  781   1HB   ASP  99          1HB       ASP  99  13.091   6.434   1.245
  782   2HB   ASP  99          2HB       ASP  99  11.700   7.555   1.252
  783    HD2  ASP  99           HD       ASP  99  13.283  10.077   3.340
  784    H    LYS 100           H        LYS 100  12.437   6.741   5.469
  785    HA   LYS 100           HA       LYS 100  10.059   7.024   6.511
  786   1HB   LYS 100          1HB       LYS 100  11.011   8.493   8.331
  787   2HB   LYS 100          2HB       LYS 100  12.160   7.193   7.748
  788   1HG   LYS 100          1HG       LYS 100  12.361  10.148   7.613
  789   2HG   LYS 100          2HG       LYS 100  13.373   9.108   8.463
  790   1HD   LYS 100          1HD       LYS 100  14.242   7.944   6.348
  791   2HD   LYS 100          2HD       LYS 100  13.285   9.003   5.424
  792   1HE   LYS 100          1HE       LYS 100  14.636  11.042   5.711
  793   2HE   LYS 100          2HE       LYS 100  15.722  10.304   6.946
  794   1HZ   LYS 100          1HZ       LYS 100  16.647  10.039   4.674
  795   2HZ   LYS 100          2HZ       LYS 100  16.408   8.655   5.445
  796    H    ASP 101           H        ASP 101  11.350   9.867   5.234
  797    HA   ASP 101           HA       ASP 101   8.868  11.451   5.529
  798   1HB   ASP 101          1HB       ASP 101   9.844  13.368   4.495
  799   2HB   ASP 101          2HB       ASP 101  10.929  12.817   5.690
  800    HD2  ASP 101           HD       ASP 101  12.220  13.618   2.072
  801    H    GLY 102           H        GLY 102  10.262   9.895   2.703
  802   1HA   GLY 102          1HA       GLY 102   9.125  10.922   0.417
  803   2HA   GLY 102          2HA       GLY 102   9.530   9.262   0.699
  804    H    LEU 103           H        LEU 103   7.921   8.057   2.039
  805    HA   LEU 103           HA       LEU 103   5.335   7.813   0.954
  806   1HB   LEU 103          1HB       LEU 103   6.503   6.169   2.194
  807   2HB   LEU 103          2HB       LEU 103   6.628   7.077   3.630
  808    HG   LEU 103           HG       LEU 103   4.182   6.606   4.064
  809   1HD1  LEU 103          1HD1      LEU 103   2.912   5.103   2.436
  810   2HD1  LEU 103          2HD1      LEU 103   3.233   6.644   1.859
  811   3HD1  LEU 103          3HD1      LEU 103   4.091   5.356   1.221
  812   1HD2  LEU 103          1HD2      LEU 103   4.307   4.268   4.478
  813   2HD2  LEU 103          2HD2      LEU 103   5.898   4.119   3.549
  814   3HD2  LEU 103          3HD2      LEU 103   5.760   5.037   4.979
  815    HA   PRO 104           HA       PRO 104   3.102  10.591   4.583
  816   1HB   PRO 104          1HB       PRO 104   5.693  12.041   5.397
  817   2HB   PRO 104          2HB       PRO 104   4.162  11.837   6.289
  818   1HG   PRO 104          1HG       PRO 104   6.334  10.316   6.818
  819   2HG   PRO 104          2HG       PRO 104   4.682   9.484   6.687
  820   1HD   PRO 104          1HD       PRO 104   6.974   9.621   4.676
  821   2HD   PRO 104          2HD       PRO 104   5.825   8.311   4.942
  822    H    THR 105           H        THR 105   5.715  12.040   2.645
  823    HA   THR 105           HA       THR 105   4.305  14.578   2.001
  824    HB   THR 105           HB       THR 105   6.842  13.485   0.570
  825    HG1  THR 105           1HG      THR 105   7.221  13.679   2.876
  826   1HG2  THR 105          1HG2      THR 105   7.198  16.063   0.394
  827   2HG2  THR 105          2HG2      THR 105   6.018  15.338  -0.668
  828   3HG2  THR 105          3HG2      THR 105   5.497  16.240   0.798
  829    H    LEU 106           H        LEU 106   5.052  11.807  -0.105
  830    HA   LEU 106           HA       LEU 106   3.462  12.402  -2.324
  831   1HB   LEU 106          1HB       LEU 106   5.226  10.635  -2.185
  832   2HB   LEU 106          2HB       LEU 106   4.223   9.739  -1.111
  833    HG   LEU 106           HG       LEU 106   2.509   9.298  -2.722
  834   1HD1  LEU 106          1HD1      LEU 106   3.174   9.271  -5.185
  835   2HD1  LEU 106          2HD1      LEU 106   2.737  10.932  -4.546
  836   3HD1  LEU 106          3HD1      LEU 106   4.425  10.451  -4.880
  837   1HD2  LEU 106          1HD2      LEU 106   3.682   7.512  -3.834
  838   2HD2  LEU 106          2HD2      LEU 106   5.136   7.962  -2.952
  839   3HD2  LEU 106          3HD2      LEU 106   3.601   7.639  -2.089
  840    H    VAL 107           H        VAL 107   2.486  10.669   0.495
  841    HA   VAL 107           HA       VAL 107  -0.437  10.040  -0.135
  842    HB   VAL 107           HB       VAL 107   0.995   9.919   2.493
  843   1HG1  VAL 107          1HG1      VAL 107  -1.611  10.342   2.877
  844   2HG1  VAL 107          2HG1      VAL 107  -1.884   9.089   1.755
  845   3HG1  VAL 107          3HG1      VAL 107  -1.173   8.716   3.308
  846   1HG2  VAL 107          1HG2      VAL 107   0.480   7.323   2.130
  847   2HG2  VAL 107          2HG2      VAL 107   0.043   7.783   0.359
  848   3HG2  VAL 107          3HG2      VAL 107   1.619   8.070   0.973
  849    H    ALA 108           H        ALA 108   1.152  12.872   1.638
  850    HA   ALA 108           HA       ALA 108  -1.157  14.348   2.097
  851   1HB   ALA 108          1HB       ALA 108   0.356  16.257   1.971
  852   2HB   ALA 108          2HB       ALA 108   0.927  14.938   3.046
  853   3HB   ALA 108          3HB       ALA 108   1.640  15.229   1.335
  854    H    LYS 109           H        LYS 109   1.106  14.174  -0.721
  855    HA   LYS 109           HA       LYS 109  -0.263  16.160  -2.342
  856   1HB   LYS 109          1HB       LYS 109   1.737  14.022  -3.421
  857   2HB   LYS 109          2HB       LYS 109   0.994  15.413  -4.276
  858   1HG   LYS 109          1HG       LYS 109   2.019  17.017  -2.766
  859   2HG   LYS 109          2HG       LYS 109   2.868  15.681  -1.979
  860   1HD   LYS 109          1HD       LYS 109   4.000  15.045  -4.105
  861   2HD   LYS 109          2HD       LYS 109   3.083  16.237  -5.024
  862   1HE   LYS 109          1HE       LYS 109   4.208  18.057  -4.390
  863   2HE   LYS 109          2HE       LYS 109   4.617  17.404  -2.790
  864   1HZ   LYS 109          1HZ       LYS 109   6.590  17.382  -4.154
  865   2HZ   LYS 109          2HZ       LYS 109   6.184  15.886  -3.885
  866    H    HIS 110           H        HIS 110  -0.708  12.545  -2.254
  867    HA   HIS 110           HA       HIS 110  -2.858  12.706  -4.203
  868   1HB   HIS 110          1HB       HIS 110  -1.533  10.520  -2.497
  869   2HB   HIS 110          2HB       HIS 110  -3.196  10.196  -2.998
  870    HD1  HIS 110           1HD      HIS 110  -3.710  10.521  -5.686
  871    HD2  HIS 110           2HD      HIS 110   0.344  10.249  -4.444
  872    HE1  HIS 110           1HE      HIS 110  -2.222   9.760  -7.695
  873    H    ALA 111           H        ALA 111  -3.224  11.949  -0.658
  874    HA   ALA 111           HA       ALA 111  -5.972  12.157  -0.248
  875   1HB   ALA 111          1HB       ALA 111  -5.313  12.859   2.074
  876   2HB   ALA 111          2HB       ALA 111  -4.299  11.602   1.548
  877   3HB   ALA 111          3HB       ALA 111  -3.794  13.317   1.513
  878    H    THR 112           H        THR 112  -3.734  15.001  -0.459
  879    HA   THR 112           HA       THR 112  -5.739  17.166  -0.137
  880    HB   THR 112           HB       THR 112  -3.027  17.106  -1.279
  881    HG1  THR 112           1HG      THR 112  -2.361  17.388   0.678
  882   1HG2  THR 112          1HG2      THR 112  -4.092  19.056  -1.953
  883   2HG2  THR 112          2HG2      THR 112  -4.804  19.501  -0.397
  884   3HG2  THR 112          3HG2      THR 112  -3.097  19.575  -0.639
  885    H    ALA 113           H        ALA 113  -4.216  15.882  -3.151
  886    HA   ALA 113           HA       ALA 113  -6.057  17.129  -5.089
  887   1HB   ALA 113          1HB       ALA 113  -4.582  14.466  -5.331
  888   2HB   ALA 113          2HB       ALA 113  -5.133  15.518  -6.654
  889   3HB   ALA 113          3HB       ALA 113  -3.778  16.064  -5.684
  890    HXT  ALA 113           HO       ALA 113  -8.665  15.054  -5.553
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1 -12.730   9.703  16.670
    2   2H    ALA   1          2H        ALA   1 -14.094   8.795  16.790
    3    HA   ALA   1           HA       ALA   1 -11.315   7.753  16.847
    4   1HB   ALA   1          1HB       ALA   1 -12.437   5.539  17.150
    5   2HB   ALA   1          2HB       ALA   1 -13.051   6.644  18.380
    6   3HB   ALA   1          3HB       ALA   1 -14.068   6.297  16.954
    7    H    GLU   2           H        GLU   2 -10.709   8.629  14.897
    8    HA   GLU   2           HA       GLU   2 -11.848   7.379  12.435
    9   1HB   GLU   2          1HB       GLU   2 -13.146   9.701  13.008
   10   2HB   GLU   2          2HB       GLU   2 -11.612  10.428  12.442
   11   1HG   GLU   2          1HG       GLU   2 -11.880   9.087  10.240
   12   2HG   GLU   2          2HG       GLU   2 -13.365   8.548  10.793
   13    HE2  GLU   2           HE       GLU   2 -13.106  12.376   9.612
   14    H    GLU   3           H        GLU   3 -10.222   6.635  11.475
   15    HA   GLU   3           HA       GLU   3  -7.701   8.006  10.831
   16   1HB   GLU   3          1HB       GLU   3  -6.044   6.824  12.125
   17   2HB   GLU   3          2HB       GLU   3  -7.191   7.517  13.259
   18   1HG   GLU   3          1HG       GLU   3  -8.253   5.292  13.650
   19   2HG   GLU   3          2HG       GLU   3  -7.272   4.506  12.501
   20    HE2  GLU   3           HE       GLU   3  -5.518   3.688  15.362
   21    H    GLY   4           H        GLY   4  -6.210   6.749   9.912
   22   1HA   GLY   4          1HA       GLY   4  -6.917   4.618   7.870
   23   2HA   GLY   4          2HA       GLY   4  -5.323   5.205   8.215
   24    H    GLN   5           H        GLN   5  -6.126   2.464   7.786
   25    HA   GLN   5           HA       GLN   5  -5.044   1.275  10.330
   26   1HB   GLN   5          1HB       GLN   5  -6.944  -0.183  10.568
   27   2HB   GLN   5          2HB       GLN   5  -7.529   1.461  10.501
   28   1HG   GLN   5          1HG       GLN   5  -7.985   1.001   8.064
   29   2HG   GLN   5          2HG       GLN   5  -7.933  -0.610   8.389
   30   1HE2  GLN   5          1HE2      GLN   5 -10.088   1.968   8.467
   31   2HE2  GLN   5          2HE2      GLN   5 -11.350   1.310   9.535
   32    H    VAL   6           H        VAL   6  -3.585   0.058   9.788
   33    HA   VAL   6           HA       VAL   6  -2.954  -1.008   7.067
   34    HB   VAL   6           HB       VAL   6  -1.262  -1.199   9.635
   35   1HG1  VAL   6          1HG1      VAL   6   0.609  -1.710   8.085
   36   2HG1  VAL   6          2HG1      VAL   6  -0.579  -2.940   8.035
   37   3HG1  VAL   6          3HG1      VAL   6  -0.481  -1.804   6.703
   38   1HG2  VAL   6          1HG2      VAL   6  -1.136   0.940   7.355
   39   2HG2  VAL   6          2HG2      VAL   6  -1.448   1.209   9.113
   40   3HG2  VAL   6          3HG2      VAL   6   0.115   0.697   8.615
   41    H    ILE   7           H        ILE   7  -3.255  -3.144   6.504
   42    HA   ILE   7           HA       ILE   7  -3.933  -5.379   8.410
   43    HB   ILE   7           HB       ILE   7  -5.796  -4.057   7.297
   44   1HG1  ILE   7          1HG1      ILE   7  -6.213  -5.808   8.806
   45   2HG1  ILE   7          2HG1      ILE   7  -7.308  -5.902   7.291
   46   1HG2  ILE   7          1HG2      ILE   7  -6.871  -4.762   5.233
   47   2HG2  ILE   7          2HG2      ILE   7  -5.177  -4.173   4.975
   48   3HG2  ILE   7          3HG2      ILE   7  -5.422  -5.925   4.972
   49   1HD1  ILE   7          1HD1      ILE   7  -5.031  -7.737   8.033
   50   2HD1  ILE   7          2HD1      ILE   7  -6.772  -7.997   8.153
   51   3HD1  ILE   7          3HD1      ILE   7  -5.923  -7.806   6.558
   52    H    ALA   8           H        ALA   8  -2.833  -7.077   8.223
   53    HA   ALA   8           HA       ALA   8  -0.975  -7.786   6.172
   54   1HB   ALA   8          1HB       ALA   8  -1.105 -10.155   7.294
   55   2HB   ALA   8          2HB       ALA   8  -0.694  -8.741   8.303
   56   3HB   ALA   8          3HB       ALA   8  -2.378  -9.462   8.314
   57    H    CYS   9           H        CYS   9  -0.929  -8.865   4.596
   58    HA   CYS   9           HA       CYS   9  -3.344 -10.194   3.312
   59   1HB   CYS   9          1HB       CYS   9  -1.675  -7.988   2.209
   60   2HB   CYS   9          2HB       CYS   9  -2.623  -9.016   1.128
   61    HG   CYS   9           HG       CYS   9  -5.001  -8.465   2.723
   62    H    HIS  10           H        HIS  10  -2.918 -11.824   1.935
   63    HA   HIS  10           HA       HIS  10  -0.248 -13.130   2.289
   64   1HB   HIS  10          1HB       HIS  10  -2.863 -14.009   3.639
   65   2HB   HIS  10          2HB       HIS  10  -1.528 -15.033   3.466
   66    HD1  HIS  10           1HD      HIS  10  -2.594 -13.889   6.358
   67    HD2  HIS  10           2HD      HIS  10   0.978 -12.986   4.301
   68    HE1  HIS  10           1HE      HIS  10  -0.674 -13.333   7.988
   69    H    THR  11           H        THR  11  -3.415 -13.625   0.942
   70    HA   THR  11           HA       THR  11  -2.373 -15.372  -1.256
   71    HB   THR  11           HB       THR  11  -4.235 -17.045  -0.917
   72    HG1  THR  11           1HG      THR  11  -5.168 -16.827   1.314
   73   1HG2  THR  11          1HG2      THR  11  -3.280 -18.263   1.004
   74   2HG2  THR  11          2HG2      THR  11  -2.083 -17.589  -0.143
   75   3HG2  THR  11          3HG2      THR  11  -2.408 -16.806   1.504
   76    H    VAL  12           H        VAL  12  -4.619 -16.122  -2.500
   77    HA   VAL  12           HA       VAL  12  -5.417 -13.969  -3.970
   78    HB   VAL  12           HB       VAL  12  -5.709 -16.413  -4.727
   79   1HG1  VAL  12          1HG1      VAL  12  -8.276 -16.838  -3.047
   80   2HG1  VAL  12          2HG1      VAL  12  -7.411 -17.908  -3.962
   81   3HG1  VAL  12          3HG1      VAL  12  -6.697 -17.404  -2.352
   82   1HG2  VAL  12          1HG2      VAL  12  -8.375 -14.872  -4.795
   83   2HG2  VAL  12          2HG2      VAL  12  -7.184 -14.823  -6.014
   84   3HG2  VAL  12          3HG2      VAL  12  -7.915 -16.400  -5.792
   85    H    ASP  13           H        ASP  13  -6.485 -14.725  -0.772
   86    HA   ASP  13           HA       ASP  13  -9.088 -13.491  -0.468
   87   1HB   ASP  13          1HB       ASP  13  -6.614 -13.761   1.451
   88   2HB   ASP  13          2HB       ASP  13  -8.090 -12.963   2.005
   89    HD2  ASP  13           HD       ASP  13  -7.279 -15.990   0.391
   90    H    THR  14           H        THR  14  -5.925 -12.140  -0.551
   91    HA   THR  14           HA       THR  14  -6.689  -9.320  -0.332
   92    HB   THR  14           HB       THR  14  -4.422 -10.207   0.181
   93    HG1  THR  14           1HG      THR  14  -3.696  -8.091   0.299
   94   1HG2  THR  14          1HG2      THR  14  -3.753  -9.031  -2.566
   95   2HG2  THR  14          2HG2      THR  14  -2.607  -9.694  -1.398
   96   3HG2  THR  14          3HG2      THR  14  -3.833 -10.753  -2.360
   97    H    TRP  15           H        TRP  15  -6.493 -11.357  -3.016
   98    HA   TRP  15           HA       TRP  15  -7.002  -9.385  -5.101
   99   1HB   TRP  15          1HB       TRP  15  -7.552 -12.348  -5.209
  100   2HB   TRP  15          2HB       TRP  15  -8.479 -11.316  -6.338
  101    HD1  TRP  15           HD       TRP  15  -4.928 -12.434  -5.826
  102    HE1  TRP  15           1HE      TRP  15  -3.500 -11.899  -7.847
  103    HE3  TRP  15           3HE      TRP  15  -8.358  -9.579  -8.038
  104    HZ2  TRP  15           2HZ      TRP  15  -4.078 -10.437 -10.396
  105    HZ3  TRP  15           3HZ      TRP  15  -7.926  -8.607 -10.225
  106    HH2  TRP  15           HH       TRP  15  -5.801  -8.833 -11.366
  107    H    LYS  16           H        LYS  16  -9.079 -11.068  -3.030
  108    HA   LYS  16           HA       LYS  16 -11.488  -9.559  -3.712
  109   1HB   LYS  16          1HB       LYS  16 -11.026 -10.773  -0.983
  110   2HB   LYS  16          2HB       LYS  16 -12.463 -10.202  -1.562
  111   1HG   LYS  16          1HG       LYS  16 -12.419 -11.944  -3.473
  112   2HG   LYS  16          2HG       LYS  16 -11.014 -12.731  -2.647
  113   1HD   LYS  16          1HD       LYS  16 -13.853 -12.559  -1.530
  114   2HD   LYS  16          2HD       LYS  16 -13.083 -13.908  -2.085
  115   1HE   LYS  16          1HE       LYS  16 -11.248 -13.667  -0.344
  116   2HE   LYS  16          2HE       LYS  16 -12.197 -12.278   0.392
  117   1HZ   LYS  16          1HZ       LYS  16 -12.479 -14.589   1.307
  118   2HZ   LYS  16          2HZ       LYS  16 -13.903 -13.895   0.872
  119    H    GLU  17           H        GLU  17  -9.252  -9.258  -0.696
  120    HA   GLU  17           HA       GLU  17 -10.508  -6.847   0.389
  121   1HB   GLU  17          1HB       GLU  17  -7.544  -7.655   0.729
  122   2HB   GLU  17          2HB       GLU  17  -8.287  -6.331   1.522
  123   1HG   GLU  17          1HG       GLU  17  -9.574  -7.736   2.888
  124   2HG   GLU  17          2HG       GLU  17  -9.512  -9.136   1.752
  125    HE2  GLU  17           HE       GLU  17  -6.775  -8.588   4.551
  126    H    HIS  18           H        HIS  18  -7.898  -6.747  -1.606
  127    HA   HIS  18           HA       HIS  18  -7.397  -3.831  -1.916
  128   1HB   HIS  18          1HB       HIS  18  -5.562  -5.386  -2.238
  129   2HB   HIS  18          2HB       HIS  18  -6.335  -6.099  -3.592
  130    HD1  HIS  18           1HD      HIS  18  -6.560  -4.644  -5.804
  131    HD2  HIS  18           2HD      HIS  18  -3.725  -3.500  -2.885
  132    HE1  HIS  18           1HE      HIS  18  -4.786  -2.857  -6.788
  133    H    PHE  19           H        PHE  19  -8.828  -5.990  -3.988
  134    HA   PHE  19           HA       PHE  19  -9.436  -4.112  -6.118
  135   1HB   PHE  19          1HB       PHE  19  -9.180  -6.589  -6.648
  136   2HB   PHE  19          2HB       PHE  19 -10.681  -6.878  -6.021
  137    HD1  PHE  19           1HD      PHE  19 -12.674  -6.079  -7.122
  138    HD2  PHE  19           2HD      PHE  19  -8.836  -5.336  -8.895
  139    HE1  PHE  19           1HE      PHE  19 -13.781  -5.692  -9.283
  140    HE2  PHE  19           2HE      PHE  19  -9.925  -4.840 -11.068
  141    HZ   PHE  19           HZ       PHE  19 -12.351  -5.107 -11.314
  142    H    GLU  20           H        GLU  20 -11.841  -5.950  -4.059
  143    HA   GLU  20           HA       GLU  20 -14.181  -4.405  -4.251
  144   1HB   GLU  20          1HB       GLU  20 -13.195  -5.807  -1.673
  145   2HB   GLU  20          2HB       GLU  20 -14.798  -5.216  -1.956
  146   1HG   GLU  20          1HG       GLU  20 -13.553  -7.327  -3.850
  147   2HG   GLU  20          2HG       GLU  20 -14.483  -7.763  -2.395
  148    HE2  GLU  20           HE       GLU  20 -17.572  -7.366  -3.522
  149    H    LYS  21           H        LYS  21 -11.845  -3.631  -1.590
  150    HA   LYS  21           HA       LYS  21 -13.024  -1.107  -0.856
  151   1HB   LYS  21          1HB       LYS  21 -10.238  -2.196  -0.761
  152   2HB   LYS  21          2HB       LYS  21 -10.575  -0.699   0.016
  153   1HG   LYS  21          1HG       LYS  21 -12.213  -3.261   0.725
  154   2HG   LYS  21          2HG       LYS  21 -10.669  -2.844   1.444
  155   1HD   LYS  21          1HD       LYS  21 -11.560  -0.630   2.233
  156   2HD   LYS  21          2HD       LYS  21 -13.111  -0.969   1.522
  157   1HE   LYS  21          1HE       LYS  21 -13.359  -1.445   3.884
  158   2HE   LYS  21          2HE       LYS  21 -13.231  -2.989   3.117
  159   1HZ   LYS  21          1HZ       LYS  21 -11.019  -3.176   4.068
  160   2HZ   LYS  21          2HZ       LYS  21 -10.935  -1.571   4.178
  161    H    GLY  22           H        GLY  22 -10.325  -1.317  -3.230
  162   1HA   GLY  22          1HA       GLY  22 -10.111   1.396  -4.102
  163   2HA   GLY  22          2HA       GLY  22  -9.653  -0.041  -5.031
  164    H    LYS  23           H        LYS  23 -11.411  -0.861  -6.298
  165    HA   LYS  23           HA       LYS  23 -13.493   0.926  -7.277
  166   1HB   LYS  23          1HB       LYS  23 -12.275  -0.498  -8.940
  167   2HB   LYS  23          2HB       LYS  23 -12.889  -1.940  -8.169
  168   1HG   LYS  23          1HG       LYS  23 -15.291  -0.176  -8.702
  169   2HG   LYS  23          2HG       LYS  23 -14.238   0.081 -10.011
  170   1HD   LYS  23          1HD       LYS  23 -15.047  -2.712  -9.235
  171   2HD   LYS  23          2HD       LYS  23 -15.995  -1.712 -10.302
  172   1HE   LYS  23          1HE       LYS  23 -13.060  -2.269 -10.980
  173   2HE   LYS  23          2HE       LYS  23 -14.360  -3.300 -11.448
  174   1HZ   LYS  23          1HZ       LYS  23 -14.432  -1.873 -13.195
  175   2HZ   LYS  23          2HZ       LYS  23 -15.537  -1.121 -12.307
  176    H    GLY  24           H        GLY  24 -14.706   1.183  -5.711
  177   1HA   GLY  24          1HA       GLY  24 -17.054  -0.231  -5.393
  178   2HA   GLY  24          2HA       GLY  24 -16.070  -0.970  -4.104
  179    H    SER  25           H        SER  25 -14.779   1.384  -3.494
  180    HA   SER  25           HA       SER  25 -16.844   2.704  -1.642
  181   1HB   SER  25          1HB       SER  25 -13.960   1.606  -0.903
  182   2HB   SER  25          2HB       SER  25 -14.839   2.754   0.014
  183    HG   SER  25           HG       SER  25 -15.788   0.159  -0.833
  184    H    GLN  26           H        GLN  26 -16.625   4.723  -1.852
  185    HA   GLN  26           HA       GLN  26 -14.688   6.308  -3.403
  186   1HB   GLN  26          1HB       GLN  26 -17.107   7.186  -1.723
  187   2HB   GLN  26          2HB       GLN  26 -15.938   8.338  -2.111
  188   1HG   GLN  26          1HG       GLN  26 -17.642   8.547  -3.679
  189   2HG   GLN  26          2HG       GLN  26 -16.195   7.820  -4.572
  190   1HE2  GLN  26          1HE2      GLN  26 -16.478   5.863  -5.498
  191   2HE2  GLN  26          2HE2      GLN  26 -18.126   5.066  -5.798
  192    H    LYS  27           H        LYS  27 -12.825   5.548  -2.623
  193    HA   LYS  27           HA       LYS  27 -11.530   7.374  -0.575
  194   1HB   LYS  27          1HB       LYS  27 -10.801   5.703   0.788
  195   2HB   LYS  27          2HB       LYS  27 -12.481   5.831   0.847
  196   1HG   LYS  27          1HG       LYS  27 -12.357   3.545  -0.628
  197   2HG   LYS  27          2HG       LYS  27 -10.694   3.590  -0.525
  198   1HD   LYS  27          1HD       LYS  27 -11.557   2.008   1.248
  199   2HD   LYS  27          2HD       LYS  27 -10.612   3.191   1.935
  200   1HE   LYS  27          1HE       LYS  27 -12.596   4.563   2.711
  201   2HE   LYS  27          2HE       LYS  27 -13.735   3.653   1.913
  202   1HZ   LYS  27          1HZ       LYS  27 -13.781   3.025   4.063
  203   2HZ   LYS  27          2HZ       LYS  27 -13.094   1.725   3.308
  204    H    LEU  28           H        LEU  28  -9.360   7.116  -0.510
  205    HA   LEU  28           HA       LEU  28  -7.751   5.904  -2.779
  206   1HB   LEU  28          1HB       LEU  28  -7.204   8.066  -1.517
  207   2HB   LEU  28          2HB       LEU  28  -6.663   7.041  -0.197
  208    HG   LEU  28           HG       LEU  28  -5.021   5.987  -1.638
  209   1HD1  LEU  28          1HD1      LEU  28  -4.187   7.032  -3.739
  210   2HD1  LEU  28          2HD1      LEU  28  -5.838   6.410  -4.012
  211   3HD1  LEU  28          3HD1      LEU  28  -5.566   8.162  -3.848
  212   1HD2  LEU  28          1HD2      LEU  28  -4.212   7.680  -0.124
  213   2HD2  LEU  28          2HD2      LEU  28  -3.311   7.757  -1.654
  214   3HD2  LEU  28          3HD2      LEU  28  -4.462   8.951  -1.353
  215    H    ILE  29           H        ILE  29  -6.521   3.973  -2.441
  216    HA   ILE  29           HA       ILE  29  -6.111   2.714   0.153
  217    HB   ILE  29           HB       ILE  29  -6.690   0.577  -0.407
  218   1HG1  ILE  29          1HG1      ILE  29  -7.455   0.905  -3.407
  219   2HG1  ILE  29          2HG1      ILE  29  -5.672   0.405  -2.932
  220   1HG2  ILE  29          1HG2      ILE  29  -8.986   0.509  -0.788
  221   2HG2  ILE  29          2HG2      ILE  29  -8.893   2.082  -0.153
  222   3HG2  ILE  29          3HG2      ILE  29  -9.075   1.995  -1.902
  223   1HD1  ILE  29          1HD1      ILE  29  -6.987  -1.533  -3.291
  224   2HD1  ILE  29          2HD1      ILE  29  -6.661  -1.465  -1.547
  225   3HD1  ILE  29          3HD1      ILE  29  -8.238  -1.009  -2.169
  226    H    VAL  30           H        VAL  30  -4.125   2.223   0.329
  227    HA   VAL  30           HA       VAL  30  -1.998   2.452  -1.672
  228    HB   VAL  30           HB       VAL  30  -2.071   3.588   1.038
  229   1HG1  VAL  30          1HG1      VAL  30   0.008   4.227  -0.941
  230   2HG1  VAL  30          2HG1      VAL  30   0.050   4.567   0.714
  231   3HG1  VAL  30          3HG1      VAL  30   0.377   2.852   0.119
  232   1HG2  VAL  30          1HG2      VAL  30  -1.823   5.823  -0.012
  233   2HG2  VAL  30          2HG2      VAL  30  -2.468   5.065  -1.544
  234   3HG2  VAL  30          3HG2      VAL  30  -3.489   5.062  -0.097
  235    H    VAL  31           H        VAL  31  -0.392   0.952  -1.531
  236    HA   VAL  31           HA       VAL  31  -0.415  -1.240   0.538
  237    HB   VAL  31           HB       VAL  31  -2.120  -1.917  -0.848
  238   1HG1  VAL  31          1HG1      VAL  31  -2.160  -0.938  -2.890
  239   2HG1  VAL  31          2HG1      VAL  31  -0.353  -1.198  -3.105
  240   3HG1  VAL  31          3HG1      VAL  31  -1.558  -2.535  -3.258
  241   1HG2  VAL  31          1HG2      VAL  31  -1.443  -4.088  -1.785
  242   2HG2  VAL  31          2HG2      VAL  31   0.250  -3.625  -1.329
  243   3HG2  VAL  31          3HG2      VAL  31  -1.063  -3.784  -0.013
  244    H    ASP  32           H        ASP  32   1.274  -1.631   1.165
  245    HA   ASP  32           HA       ASP  32   3.977  -1.288  -0.134
  246   1HB   ASP  32          1HB       ASP  32   3.643  -1.122   2.538
  247   2HB   ASP  32          2HB       ASP  32   3.904  -2.813   2.461
  248    HD2  ASP  32           HD       ASP  32   7.107  -1.144   0.805
  249    H    PHE  33           H        PHE  33   5.056  -2.880  -1.096
  250    HA   PHE  33           HA       PHE  33   4.297  -5.762  -1.080
  251   1HB   PHE  33          1HB       PHE  33   5.439  -4.065  -3.310
  252   2HB   PHE  33          2HB       PHE  33   5.373  -5.743  -3.373
  253    HD1  PHE  33           1HD      PHE  33   3.049  -6.926  -3.105
  254    HD2  PHE  33           2HD      PHE  33   3.340  -2.645  -3.697
  255    HE1  PHE  33           1HE      PHE  33   0.731  -6.849  -3.883
  256    HE2  PHE  33           2HE      PHE  33   0.804  -2.570  -4.022
  257    HZ   PHE  33           HZ       PHE  33  -0.345  -4.674  -4.430
  258    H    THR  34           H        THR  34   5.962  -6.759   0.033
  259    HA   THR  34           HA       THR  34   8.699  -5.794   0.259
  260    HB   THR  34           HB       THR  34   7.839  -4.125   2.071
  261    HG1  THR  34           1HG      THR  34   8.724  -6.346   3.454
  262   1HG2  THR  34          1HG2      THR  34   5.575  -5.003   2.506
  263   2HG2  THR  34          2HG2      THR  34   6.467  -6.421   3.380
  264   3HG2  THR  34          3HG2      THR  34   6.545  -4.809   3.985
  265    H    ALA  35           H        ALA  35   9.876  -7.402   0.946
  266    HA   ALA  35           HA       ALA  35   8.887 -10.173   1.591
  267   1HB   ALA  35          1HB       ALA  35  10.525  -9.533  -0.114
  268   2HB   ALA  35          2HB       ALA  35  11.581  -8.732   1.063
  269   3HB   ALA  35          3HB       ALA  35  11.442 -10.484   1.164
  270    H    SER  36           H        SER  36   9.342 -11.205   3.383
  271    HA   SER  36           HA       SER  36   9.729 -10.056   6.097
  272   1HB   SER  36          1HB       SER  36   8.775 -12.266   5.902
  273   2HB   SER  36          2HB       SER  36  10.011 -12.929   4.921
  274    HG   SER  36           HG       SER  36  11.306 -12.503   7.088
  275    H    TRP  37           H        TRP  37  12.119 -11.048   3.772
  276    HA   TRP  37           HA       TRP  37  14.541 -10.135   5.344
  277   1HB   TRP  37          1HB       TRP  37  15.868 -11.036   3.604
  278   2HB   TRP  37          2HB       TRP  37  14.922 -12.169   4.291
  279    HD1  TRP  37           HD       TRP  37  12.845 -13.508   2.817
  280    HE1  TRP  37           1HE      TRP  37  12.129 -13.418   0.307
  281    HE3  TRP  37           3HE      TRP  37  16.190  -9.951   1.258
  282    HZ2  TRP  37           2HZ      TRP  37  13.473 -12.556  -2.083
  283    HZ3  TRP  37           3HZ      TRP  37  16.512  -9.639  -1.266
  284    HH2  TRP  37           HH       TRP  37  15.155 -11.121  -2.793
  285    H    CYS  38           H        CYS  38  13.706  -8.102   5.656
  286    HA   CYS  38           HA       CYS  38  14.694  -6.114   3.737
  287   1HB   CYS  38          1HB       CYS  38  12.476  -6.535   2.568
  288   2HB   CYS  38          2HB       CYS  38  11.537  -6.171   3.984
  289    HG   CYS  38           HG       CYS  38  13.634  -4.006   2.464
  290    HA   PRO  39           HA       PRO  39  15.027  -4.232   8.033
  291   1HB   PRO  39          1HB       PRO  39  17.502  -3.166   6.484
  292   2HB   PRO  39          2HB       PRO  39  17.252  -3.575   8.129
  293   1HG   PRO  39          1HG       PRO  39  18.506  -5.221   6.494
  294   2HG   PRO  39          2HG       PRO  39  17.395  -5.982   7.682
  295   1HD   PRO  39          1HD       PRO  39  16.757  -5.503   4.761
  296   2HD   PRO  39          2HD       PRO  39  16.238  -6.885   5.714
  297    HA   PRO  40           HA       PRO  40  14.653   0.203   5.367
  298   1HB   PRO  40          1HB       PRO  40  13.604  -1.114   2.695
  299   2HB   PRO  40          2HB       PRO  40  14.463   0.377   2.934
  300   1HG   PRO  40          1HG       PRO  40  15.789  -1.825   2.110
  301   2HG   PRO  40          2HG       PRO  40  16.504  -0.784   3.327
  302   1HD   PRO  40          1HD       PRO  40  15.223  -3.365   3.793
  303   2HD   PRO  40          2HD       PRO  40  16.709  -2.725   4.469
  304    H    CYS  41           H        CYS  41  12.592  -2.528   4.639
  305    HA   CYS  41           HA       CYS  41  10.112  -0.986   5.209
  306   1HB   CYS  41          1HB       CYS  41   9.908  -3.909   4.707
  307   2HB   CYS  41          2HB       CYS  41   8.513  -2.801   4.874
  308    HG   CYS  41           HG       CYS  41   8.557  -1.995   2.658
  309    H    LYS  42           H        LYS  42  12.057  -3.148   7.093
  310    HA   LYS  42           HA       LYS  42  10.130  -3.583   9.226
  311   1HB   LYS  42          1HB       LYS  42  12.583  -4.456   8.730
  312   2HB   LYS  42          2HB       LYS  42  13.151  -3.007   9.523
  313   1HG   LYS  42          1HG       LYS  42  11.970  -3.787  11.616
  314   2HG   LYS  42          2HG       LYS  42  11.303  -5.214  10.697
  315   1HD   LYS  42          1HD       LYS  42  13.576  -6.175  10.327
  316   2HD   LYS  42          2HD       LYS  42  14.354  -4.871  11.249
  317   1HE   LYS  42          1HE       LYS  42  12.963  -5.578  13.269
  318   2HE   LYS  42          2HE       LYS  42  12.356  -7.015  12.304
  319   1HZ   LYS  42          1HZ       LYS  42  14.794  -7.505  11.981
  320   2HZ   LYS  42          2HZ       LYS  42  15.151  -6.294  12.978
  321    H    MET  43           H        MET  43  12.465  -0.936   8.731
  322    HA   MET  43           HA       MET  43  11.323   0.782  10.913
  323   1HB   MET  43          1HB       MET  43  12.531   2.706   9.684
  324   2HB   MET  43          2HB       MET  43  13.587   1.295  10.301
  325   1HG   MET  43          1HG       MET  43  13.910   0.658   7.931
  326   2HG   MET  43          2HG       MET  43  12.623   1.891   7.352
  327   1HE   MET  43          1HE       MET  43  14.866   5.015   7.348
  328   2HE   MET  43          2HE       MET  43  13.372   4.205   6.767
  329   3HE   MET  43          3HE       MET  43  13.557   4.740   8.490
  330    H    ILE  44           H        ILE  44  10.685   0.756   7.404
  331    HA   ILE  44           HA       ILE  44   8.433   2.440   7.448
  332    HB   ILE  44           HB       ILE  44   9.786   1.234   5.256
  333   1HG1  ILE  44          1HG1      ILE  44   8.295   2.983   3.946
  334   2HG1  ILE  44          2HG1      ILE  44   7.548   3.154   5.561
  335   1HG2  ILE  44          1HG2      ILE  44   6.966   0.677   4.429
  336   2HG2  ILE  44          2HG2      ILE  44   8.511   0.130   3.868
  337   3HG2  ILE  44          3HG2      ILE  44   7.847  -0.542   5.348
  338   1HD1  ILE  44          1HD1      ILE  44  10.552   3.556   5.204
  339   2HD1  ILE  44          2HD1      ILE  44   9.372   4.710   4.564
  340   3HD1  ILE  44          3HD1      ILE  44   9.415   4.412   6.348
  341    H    ALA  45           H        ALA  45   8.127  -0.560   8.780
  342    HA   ALA  45           HA       ALA  45   5.173  -0.726   8.491
  343   1HB   ALA  45          1HB       ALA  45   7.319  -2.152  10.186
  344   2HB   ALA  45          2HB       ALA  45   5.644  -2.261  10.731
  345   3HB   ALA  45          3HB       ALA  45   6.139  -2.743   9.070
  346    HA   PRO  46           HA       PRO  46   5.105   2.059  12.569
  347   1HB   PRO  46          1HB       PRO  46   7.984   2.975  12.393
  348   2HB   PRO  46          2HB       PRO  46   7.133   2.852  13.886
  349   1HG   PRO  46          1HG       PRO  46   9.055   1.088  13.007
  350   2HG   PRO  46          2HG       PRO  46   7.728   0.611  14.047
  351   1HD   PRO  46          1HD       PRO  46   8.202  -0.116  11.238
  352   2HD   PRO  46          2HD       PRO  46   7.108  -0.848  12.413
  353    H    ILE  47           H        ILE  47   7.349   3.192  10.111
  354    HA   ILE  47           HA       ILE  47   6.112   5.857   9.859
  355    HB   ILE  47           HB       ILE  47   7.525   4.584   7.509
  356   1HG1  ILE  47          1HG1      ILE  47   9.061   4.786   9.474
  357   2HG1  ILE  47          2HG1      ILE  47   9.564   5.834   8.163
  358   1HG2  ILE  47          1HG2      ILE  47   6.302   6.607   6.655
  359   2HG2  ILE  47          2HG2      ILE  47   7.125   7.610   7.752
  360   3HG2  ILE  47          3HG2      ILE  47   8.089   6.721   6.615
  361   1HD1  ILE  47          1HD1      ILE  47   9.772   6.830  10.608
  362   2HD1  ILE  47          2HD1      ILE  47   8.599   7.716   9.647
  363   3HD1  ILE  47          3HD1      ILE  47   8.081   6.501  10.886
  364    H    PHE  48           H        PHE  48   5.413   3.010   7.988
  365    HA   PHE  48           HA       PHE  48   3.167   4.120   6.413
  366   1HB   PHE  48          1HB       PHE  48   4.364   2.103   5.840
  367   2HB   PHE  48          2HB       PHE  48   3.628   1.180   7.200
  368    HD1  PHE  48           1HD      PHE  48   1.661  -0.121   6.632
  369    HD2  PHE  48           2HD      PHE  48   2.744   3.228   4.122
  370    HE1  PHE  48           1HE      PHE  48   0.585  -1.129   4.671
  371    HE2  PHE  48           2HE      PHE  48   1.584   2.346   2.348
  372    HZ   PHE  48           HZ       PHE  48   0.298   0.123   2.515
  373    H    ALA  49           H        ALA  49   3.187   2.578   9.644
  374    HA   ALA  49           HA       ALA  49   0.301   2.964  10.356
  375   1HB   ALA  49          1HB       ALA  49   1.606   1.227  11.224
  376   2HB   ALA  49          2HB       ALA  49   2.735   2.346  12.039
  377   3HB   ALA  49          3HB       ALA  49   1.020   2.273  12.530
  378    H    GLU  50           H        GLU  50   3.108   5.204  11.173
  379    HA   GLU  50           HA       GLU  50   1.529   7.047  12.636
  380   1HB   GLU  50          1HB       GLU  50   3.757   6.687  13.030
  381   2HB   GLU  50          2HB       GLU  50   4.276   7.045  11.332
  382   1HG   GLU  50          1HG       GLU  50   3.695   9.431  11.607
  383   2HG   GLU  50          2HG       GLU  50   3.052   9.041  13.226
  384    HE2  GLU  50           HE       GLU  50   6.003   8.544  14.834
  385    H    LEU  51           H        LEU  51   2.872   7.547   9.383
  386    HA   LEU  51           HA       LEU  51   1.243   9.336   8.243
  387   1HB   LEU  51          1HB       LEU  51   2.978   8.048   7.101
  388   2HB   LEU  51          2HB       LEU  51   1.965   6.675   7.210
  389    HG   LEU  51           HG       LEU  51   2.458   8.154   5.082
  390   1HD1  LEU  51          1HD1      LEU  51   0.529   6.997   3.910
  391   2HD1  LEU  51          2HD1      LEU  51   1.687   5.998   4.861
  392   3HD1  LEU  51          3HD1      LEU  51   0.135   6.286   5.518
  393   1HD2  LEU  51          1HD2      LEU  51   0.997  10.163   6.087
  394   2HD2  LEU  51          2HD2      LEU  51   0.610   9.627   4.429
  395   3HD2  LEU  51          3HD2      LEU  51  -0.378   9.120   5.707
  396    H    ALA  52           H        ALA  52   0.182   5.911   8.587
  397    HA   ALA  52           HA       ALA  52  -2.663   6.183   7.743
  398   1HB   ALA  52          1HB       ALA  52  -1.657   3.920   8.006
  399   2HB   ALA  52          2HB       ALA  52  -1.621   4.113   9.804
  400   3HB   ALA  52          3HB       ALA  52  -3.141   4.101   8.874
  401    H    LYS  53           H        LYS  53  -1.343   6.706  10.818
  402    HA   LYS  53           HA       LYS  53  -3.960   7.396  12.150
  403   1HB   LYS  53          1HB       LYS  53  -1.055   7.926  12.968
  404   2HB   LYS  53          2HB       LYS  53  -2.326   8.277  14.118
  405   1HG   LYS  53          1HG       LYS  53  -3.065   5.958  14.346
  406   2HG   LYS  53          2HG       LYS  53  -1.916   5.402  12.992
  407   1HD   LYS  53          1HD       LYS  53   0.079   6.134  14.259
  408   2HD   LYS  53          2HD       LYS  53  -0.975   6.339  15.712
  409   1HE   LYS  53          1HE       LYS  53  -1.788   3.982  15.315
  410   2HE   LYS  53          2HE       LYS  53  -0.609   3.729  14.037
  411   1HZ   LYS  53          1HZ       LYS  53   0.202   4.556  16.810
  412   2HZ   LYS  53          2HZ       LYS  53   0.232   3.003  16.305
  413    H    LYS  54           H        LYS  54  -1.614   9.222  10.412
  414    HA   LYS  54           HA       LYS  54  -2.553  11.880  11.153
  415   1HB   LYS  54          1HB       LYS  54  -0.169  11.399  10.561
  416   2HB   LYS  54          2HB       LYS  54  -0.530  11.002   8.965
  417   1HG   LYS  54          1HG       LYS  54  -1.396  13.343   8.602
  418   2HG   LYS  54          2HG       LYS  54  -0.840  13.718  10.301
  419   1HD   LYS  54          1HD       LYS  54   0.877  12.668   7.778
  420   2HD   LYS  54          2HD       LYS  54   0.766  14.364   8.261
  421   1HE   LYS  54          1HE       LYS  54   1.855  13.703  10.510
  422   2HE   LYS  54          2HE       LYS  54   1.929  12.159   9.959
  423   1HZ   LYS  54          1HZ       LYS  54   3.921  13.778   9.614
  424   2HZ   LYS  54          2HZ       LYS  54   3.575  12.829   8.398
  425    H    PHE  55           H        PHE  55  -3.328   9.561   8.655
  426    HA   PHE  55           HA       PHE  55  -5.036  11.492   7.058
  427   1HB   PHE  55          1HB       PHE  55  -2.926   9.408   6.476
  428   2HB   PHE  55          2HB       PHE  55  -4.061   9.457   5.394
  429    HD1  PHE  55           1HD      PHE  55  -1.169  11.238   6.757
  430    HD2  PHE  55           2HD      PHE  55  -4.639  11.894   4.277
  431    HE1  PHE  55           1HE      PHE  55  -0.217  13.271   5.862
  432    HE2  PHE  55           2HE      PHE  55  -3.568  13.961   3.422
  433    HZ   PHE  55           HZ       PHE  55  -1.324  14.564   4.240
  434    HA   PRO  56           HA       PRO  56  -8.288   8.159   8.105
  435   1HB   PRO  56          1HB       PRO  56 -10.429   9.743   8.458
  436   2HB   PRO  56          2HB       PRO  56  -9.099   9.811   9.669
  437   1HG   PRO  56          1HG       PRO  56  -9.655  11.642   7.323
  438   2HG   PRO  56          2HG       PRO  56  -9.159  11.962   8.961
  439   1HD   PRO  56          1HD       PRO  56  -7.224  11.748   6.855
  440   2HD   PRO  56          2HD       PRO  56  -6.929  11.668   8.609
  441    H    ASN  57           H        ASN  57  -8.069   9.316   5.122
  442    HA   ASN  57           HA       ASN  57 -10.709   8.608   3.811
  443   1HB   ASN  57          1HB       ASN  57 -10.165  10.085   1.964
  444   2HB   ASN  57          2HB       ASN  57 -10.393  10.956   3.430
  445   1HD2  ASN  57          2HD2      ASN  57  -8.477  11.976   4.278
  446   2HD2  ASN  57          1HD2      ASN  57  -6.839  11.843   3.538
  447    H    VAL  58           H        VAL  58  -8.181   6.971   4.777
  448    HA   VAL  58           HA       VAL  58  -7.576   5.761   2.122
  449    HB   VAL  58           HB       VAL  58  -6.333   7.593   1.881
  450   1HG1  VAL  58          1HG1      VAL  58  -4.896   7.498   4.555
  451   2HG1  VAL  58          2HG1      VAL  58  -4.800   8.800   3.227
  452   3HG1  VAL  58          3HG1      VAL  58  -6.238   8.670   4.186
  453   1HG2  VAL  58          1HG2      VAL  58  -5.195   5.689   1.171
  454   2HG2  VAL  58          2HG2      VAL  58  -4.031   6.830   1.795
  455   3HG2  VAL  58          3HG2      VAL  58  -4.415   5.402   2.755
  456    H    THR  59           H        THR  59  -8.102   3.821   2.490
  457    HA   THR  59           HA       THR  59  -7.335   2.050   4.735
  458    HB   THR  59           HB       THR  59  -7.785   1.319   1.749
  459    HG1  THR  59           1HG      THR  59  -9.523   1.720   3.937
  460   1HG2  THR  59          1HG2      THR  59  -8.286  -0.452   4.214
  461   2HG2  THR  59          2HG2      THR  59  -8.475  -0.983   2.573
  462   3HG2  THR  59          3HG2      THR  59  -6.850  -0.583   3.090
  463    H    PHE  60           H        PHE  60  -5.610   0.863   4.939
  464    HA   PHE  60           HA       PHE  60  -3.324   0.846   3.041
  465   1HB   PHE  60          1HB       PHE  60  -3.026   0.957   6.101
  466   2HB   PHE  60          2HB       PHE  60  -1.776   0.950   5.012
  467    HD1  PHE  60           1HD      PHE  60  -1.134   2.780   3.476
  468    HD2  PHE  60           2HD      PHE  60  -4.378   3.212   6.281
  469    HE1  PHE  60           1HE      PHE  60  -1.083   5.202   3.243
  470    HE2  PHE  60           2HE      PHE  60  -4.198   5.665   6.097
  471    HZ   PHE  60           HZ       PHE  60  -2.547   6.624   4.406
  472    H    LEU  61           H        LEU  61  -2.493  -0.883   2.731
  473    HA   LEU  61           HA       LEU  61  -2.816  -3.375   4.306
  474   1HB   LEU  61          1HB       LEU  61  -3.951  -4.702   2.936
  475   2HB   LEU  61          2HB       LEU  61  -4.745  -3.358   2.889
  476    HG   LEU  61           HG       LEU  61  -3.306  -2.956   0.528
  477   1HD1  LEU  61          1HD1      LEU  61  -4.063  -5.935   0.757
  478   2HD1  LEU  61          2HD1      LEU  61  -3.385  -5.178  -0.720
  479   3HD1  LEU  61          3HD1      LEU  61  -2.349  -5.359   0.745
  480   1HD2  LEU  61          1HD2      LEU  61  -5.545  -2.498   0.825
  481   2HD2  LEU  61          2HD2      LEU  61  -5.472  -3.659  -0.565
  482   3HD2  LEU  61          3HD2      LEU  61  -5.970  -4.230   1.103
  483    H    LYS  62           H        LYS  62  -1.454  -5.097   3.540
  484    HA   LYS  62           HA       LYS  62   1.188  -4.303   2.385
  485   1HB   LYS  62          1HB       LYS  62   2.645  -4.959   4.226
  486   2HB   LYS  62          2HB       LYS  62   1.884  -3.483   4.354
  487   1HG   LYS  62          1HG       LYS  62   0.171  -4.865   6.050
  488   2HG   LYS  62          2HG       LYS  62   1.660  -5.922   6.115
  489   1HD   LYS  62          1HD       LYS  62   1.891  -3.063   6.775
  490   2HD   LYS  62          2HD       LYS  62   1.718  -4.275   7.981
  491   1HE   LYS  62          1HE       LYS  62   4.027  -4.278   6.123
  492   2HE   LYS  62          2HE       LYS  62   4.098  -3.319   7.595
  493   1HZ   LYS  62          1HZ       LYS  62   3.807  -5.310   8.793
  494   2HZ   LYS  62          2HZ       LYS  62   5.106  -5.564   7.812
  495    H    VAL  63           H        VAL  63   1.362  -5.879   1.013
  496    HA   VAL  63           HA       VAL  63   0.805  -8.713   1.468
  497    HB   VAL  63           HB       VAL  63   1.795  -6.975  -0.855
  498   1HG1  VAL  63          1HG1      VAL  63   0.791  -9.869  -1.246
  499   2HG1  VAL  63          2HG1      VAL  63   1.435  -8.802  -2.453
  500   3HG1  VAL  63          3HG1      VAL  63   2.516  -9.477  -1.166
  501   1HG2  VAL  63          1HG2      VAL  63  -0.855  -8.417  -0.272
  502   2HG2  VAL  63          2HG2      VAL  63  -0.637  -6.686  -0.181
  503   3HG2  VAL  63          3HG2      VAL  63  -0.638  -7.606  -1.768
  504    H    ASP  64           H        ASP  64   2.156  -9.864   2.469
  505    HA   ASP  64           HA       ASP  64   5.060  -9.958   2.409
  506   1HB   ASP  64          1HB       ASP  64   3.136 -11.407   3.883
  507   2HB   ASP  64          2HB       ASP  64   2.983 -12.349   2.447
  508    HD2  ASP  64           HD       ASP  64   5.951 -12.555   5.073
  509    H    VAL  65           H        VAL  65   5.717  -9.611   0.435
  510    HA   VAL  65           HA       VAL  65   4.890 -10.972  -2.012
  511    HB   VAL  65           HB       VAL  65   6.311  -8.768  -1.623
  512   1HG1  VAL  65          1HG1      VAL  65   8.344  -9.904  -0.654
  513   2HG1  VAL  65          2HG1      VAL  65   8.655 -10.748  -2.290
  514   3HG1  VAL  65          3HG1      VAL  65   8.759  -9.020  -2.118
  515   1HG2  VAL  65          1HG2      VAL  65   6.956  -8.903  -4.174
  516   2HG2  VAL  65          2HG2      VAL  65   6.716 -10.505  -3.978
  517   3HG2  VAL  65          3HG2      VAL  65   5.279  -9.595  -3.740
  518    H    ASP  66           H        ASP  66   7.045 -12.509   0.405
  519    HA   ASP  66           HA       ASP  66   8.081 -14.535  -1.401
  520   1HB   ASP  66          1HB       ASP  66   7.213 -14.711   1.514
  521   2HB   ASP  66          2HB       ASP  66   8.027 -16.044   0.774
  522    HD2  ASP  66           HD       ASP  66  10.408 -13.702   2.650
  523    H    GLU  67           H        GLU  67   4.731 -14.472  -0.036
  524    HA   GLU  67           HA       GLU  67   3.869 -16.900  -1.225
  525   1HB   GLU  67          1HB       GLU  67   2.421 -14.507   0.242
  526   2HB   GLU  67          2HB       GLU  67   1.668 -15.988  -0.391
  527   1HG   GLU  67          1HG       GLU  67   3.172 -17.523   1.000
  528   2HG   GLU  67          2HG       GLU  67   3.627 -15.908   1.841
  529    HE2  GLU  67           HE       GLU  67  -0.008 -17.753   2.310
  530    H    LEU  68           H        LEU  68   4.193 -13.695  -2.328
  531    HA   LEU  68           HA       LEU  68   2.078 -13.774  -4.493
  532   1HB   LEU  68          1HB       LEU  68   2.082 -11.752  -2.202
  533   2HB   LEU  68          2HB       LEU  68   1.143 -11.405  -3.705
  534    HG   LEU  68           HG       LEU  68   0.682 -13.840  -1.865
  535   1HD1  LEU  68          1HD1      LEU  68  -1.605 -12.572  -1.554
  536   2HD1  LEU  68          2HD1      LEU  68  -0.305 -11.650  -0.989
  537   3HD1  LEU  68          3HD1      LEU  68  -0.960 -11.189  -2.592
  538   1HD2  LEU  68          1HD2      LEU  68  -1.284 -14.533  -3.116
  539   2HD2  LEU  68          2HD2      LEU  68  -1.030 -13.272  -4.380
  540   3HD2  LEU  68          3HD2      LEU  68   0.179 -14.616  -4.027
  541    H    LYS  69           H        LYS  69   4.736 -13.867  -4.629
  542    HA   LYS  69           HA       LYS  69   5.909 -11.623  -6.123
  543   1HB   LYS  69          1HB       LYS  69   7.552 -12.942  -7.062
  544   2HB   LYS  69          2HB       LYS  69   7.399 -13.504  -5.459
  545   1HG   LYS  69          1HG       LYS  69   5.593 -15.198  -6.578
  546   2HG   LYS  69          2HG       LYS  69   6.356 -14.759  -8.048
  547   1HD   LYS  69          1HD       LYS  69   7.413 -16.842  -7.200
  548   2HD   LYS  69          2HD       LYS  69   8.548 -15.518  -7.003
  549   1HE   LYS  69          1HE       LYS  69   8.130 -15.321  -4.610
  550   2HE   LYS  69          2HE       LYS  69   6.690 -16.211  -4.742
  551   1HZ   LYS  69          1HZ       LYS  69   7.901 -18.239  -5.027
  552   2HZ   LYS  69          2HZ       LYS  69   9.102 -17.499  -5.688
  553    H    ALA  70           H        ALA  70   3.632 -13.813  -7.668
  554    HA   ALA  70           HA       ALA  70   4.070 -12.789 -10.349
  555   1HB   ALA  70          1HB       ALA  70   2.493 -14.202 -11.060
  556   2HB   ALA  70          2HB       ALA  70   3.120 -15.259  -9.656
  557   3HB   ALA  70          3HB       ALA  70   1.636 -14.346  -9.505
  558    H    VAL  71           H        VAL  71   1.535 -12.385  -7.900
  559    HA   VAL  71           HA       VAL  71  -0.025 -10.503  -9.447
  560    HB   VAL  71           HB       VAL  71  -1.155 -11.983  -7.855
  561   1HG1  VAL  71          1HG1      VAL  71  -1.462 -11.373  -5.579
  562   2HG1  VAL  71          2HG1      VAL  71   0.264 -11.695  -5.860
  563   3HG1  VAL  71          3HG1      VAL  71  -0.300 -10.103  -5.763
  564   1HG2  VAL  71          1HG2      VAL  71  -2.387  -9.951  -8.875
  565   2HG2  VAL  71          2HG2      VAL  71  -2.651  -9.724  -7.166
  566   3HG2  VAL  71          3HG2      VAL  71  -1.479  -8.853  -7.774
  567    H    ALA  72           H        ALA  72   1.849  -9.986  -6.484
  568    HA   ALA  72           HA       ALA  72   2.216  -7.395  -6.556
  569   1HB   ALA  72          1HB       ALA  72   4.815  -8.978  -6.105
  570   2HB   ALA  72          2HB       ALA  72   4.480  -7.371  -5.670
  571   3HB   ALA  72          3HB       ALA  72   3.508  -8.441  -4.800
  572    H    GLU  73           H        GLU  73   3.824  -9.364  -8.761
  573    HA   GLU  73           HA       GLU  73   5.385  -7.291 -10.327
  574   1HB   GLU  73          1HB       GLU  73   5.795  -9.833 -10.436
  575   2HB   GLU  73          2HB       GLU  73   4.580  -9.717 -11.772
  576   1HG   GLU  73          1HG       GLU  73   5.852  -8.431 -13.181
  577   2HG   GLU  73          2HG       GLU  73   7.172  -8.086 -12.020
  578    HE2  GLU  73           HE       GLU  73   8.552  -9.251 -11.746
  579    H    GLU  74           H        GLU  74   2.170  -8.617 -10.652
  580    HA   GLU  74           HA       GLU  74   1.637  -7.290 -13.216
  581   1HB   GLU  74          1HB       GLU  74  -0.370  -8.145 -13.409
  582   2HB   GLU  74          2HB       GLU  74   0.313  -9.409 -12.595
  583   1HG   GLU  74          1HG       GLU  74  -1.547  -9.591 -11.437
  584   2HG   GLU  74          2HG       GLU  74  -0.872  -8.385 -10.480
  585    HE2  GLU  74           HE       GLU  74  -2.895  -9.297 -12.790
  586    H    TRP  75           H        TRP  75   0.495  -6.475  -9.627
  587    HA   TRP  75           HA       TRP  75  -0.927  -4.144 -10.376
  588   1HB   TRP  75          1HB       TRP  75   0.844  -4.844  -8.006
  589   2HB   TRP  75          2HB       TRP  75  -0.199  -3.281  -7.982
  590    HD1  TRP  75           HD       TRP  75   0.092  -6.510  -6.390
  591    HE1  TRP  75           1HE      TRP  75  -2.006  -7.858  -5.930
  592    HE3  TRP  75           3HE      TRP  75  -2.995  -3.938  -9.535
  593    HZ2  TRP  75           2HZ      TRP  75  -4.433  -7.894  -6.940
  594    HZ3  TRP  75           3HZ      TRP  75  -5.282  -4.569  -9.666
  595    HH2  TRP  75           HH       TRP  75  -6.129  -6.678  -8.500
  596    H    ASN  76           H        ASN  76   2.618  -4.600  -9.835
  597    HA   ASN  76           HA       ASN  76   3.948  -3.764 -11.461
  598   1HB   ASN  76          1HB       ASN  76   2.726  -2.083 -12.267
  599   2HB   ASN  76          2HB       ASN  76   3.097  -0.977 -11.108
  600   1HD2  ASN  76          1HD2      ASN  76   4.483  -2.389 -13.938
  601   2HD2  ASN  76          2HD2      ASN  76   5.717  -0.934 -14.122
  602    H    VAL  77           H        VAL  77   5.122  -5.123 -10.020
  603    HA   VAL  77           HA       VAL  77   7.235  -3.596  -8.469
  604    HB   VAL  77           HB       VAL  77   5.558  -5.993  -7.432
  605   1HG1  VAL  77          1HG1      VAL  77   7.622  -4.502  -5.927
  606   2HG1  VAL  77          2HG1      VAL  77   6.589  -5.971  -5.294
  607   3HG1  VAL  77          3HG1      VAL  77   7.840  -6.004  -6.673
  608   1HG2  VAL  77          1HG2      VAL  77   5.125  -3.204  -6.668
  609   2HG2  VAL  77          2HG2      VAL  77   3.938  -4.224  -7.315
  610   3HG2  VAL  77          3HG2      VAL  77   4.427  -4.650  -5.743
  611    H    GLU  78           H        GLU  78   8.098  -3.973 -10.091
  612    HA   GLU  78           HA       GLU  78   9.795  -6.413 -10.610
  613   1HB   GLU  78          1HB       GLU  78  11.280  -5.052 -11.988
  614   2HB   GLU  78          2HB       GLU  78   9.617  -4.886 -12.395
  615   1HG   GLU  78          1HG       GLU  78   9.988  -2.599 -10.682
  616   2HG   GLU  78          2HG       GLU  78  11.652  -3.064 -11.133
  617    HE2  GLU  78           HE       GLU  78   9.026  -1.112 -11.971
  618    H    ALA  79           H        ALA  79   9.655  -4.563  -8.111
  619    HA   ALA  79           HA       ALA  79  12.351  -5.072  -7.069
  620   1HB   ALA  79          1HB       ALA  79  11.567  -2.067  -7.417
  621   2HB   ALA  79          2HB       ALA  79  13.106  -2.721  -6.523
  622   3HB   ALA  79          3HB       ALA  79  13.110  -2.923  -8.137
  623    H    MET  80           H        MET  80  12.585  -5.582  -4.902
  624    HA   MET  80           HA       MET  80  10.693  -4.833  -2.703
  625   1HB   MET  80          1HB       MET  80  13.228  -6.289  -2.693
  626   2HB   MET  80          2HB       MET  80  12.249  -5.846  -1.197
  627   1HG   MET  80          1HG       MET  80  11.484  -7.854  -3.226
  628   2HG   MET  80          2HG       MET  80  11.729  -8.074  -1.567
  629   1HE   MET  80          1HE       MET  80   8.928  -7.321  -4.051
  630   2HE   MET  80          2HE       MET  80   7.660  -6.667  -2.919
  631   3HE   MET  80          3HE       MET  80   8.614  -5.518  -3.594
  632    HA   PRO  81           HA       PRO  81   9.797  -2.971  -2.890
  633   1HB   PRO  81          1HB       PRO  81   9.141  -2.229  -0.115
  634   2HB   PRO  81          2HB       PRO  81  10.236  -3.592  -0.503
  635   1HG   PRO  81          1HG       PRO  81  11.314  -0.924   0.528
  636   2HG   PRO  81          2HG       PRO  81  11.794  -2.672   0.588
  637   1HD   PRO  81          1HD       PRO  81  12.249  -0.392  -1.664
  638   2HD   PRO  81          2HD       PRO  81  13.310  -1.699  -0.821
  639    H    THR  82           H        THR  82   8.105  -2.527  -2.666
  640    HA   THR  82           HA       THR  82   7.723  -0.017  -4.306
  641    HB   THR  82           HB       THR  82   6.645  -2.644  -4.635
  642    HG1  THR  82           1HG      THR  82   8.548  -2.834  -5.701
  643   1HG2  THR  82          1HG2      THR  82   6.445  -1.687  -7.100
  644   2HG2  THR  82          2HG2      THR  82   5.306  -0.976  -6.104
  645   3HG2  THR  82          3HG2      THR  82   6.818  -0.043  -6.348
  646    H    PHE  83           H        PHE  83   6.107   1.057  -4.186
  647    HA   PHE  83           HA       PHE  83   4.089   0.837  -1.960
  648   1HB   PHE  83          1HB       PHE  83   5.222   3.579  -2.241
  649   2HB   PHE  83          2HB       PHE  83   3.991   3.176  -1.269
  650    HD1  PHE  83           1HD      PHE  83   7.457   2.879  -1.718
  651    HD2  PHE  83           2HD      PHE  83   4.206   1.954   1.089
  652    HE1  PHE  83           1HE      PHE  83   9.036   2.937  -0.065
  653    HE2  PHE  83           2HE      PHE  83   5.900   1.660   2.783
  654    HZ   PHE  83           HZ       PHE  83   8.245   1.936   2.284
  655    H    ILE  84           H        ILE  84   2.103   0.867  -3.179
  656    HA   ILE  84           HA       ILE  84   1.617   2.353  -5.693
  657    HB   ILE  84           HB       ILE  84   0.951  -0.531  -5.023
  658   1HG1  ILE  84          1HG1      ILE  84   2.466   0.470  -7.465
  659   2HG1  ILE  84          2HG1      ILE  84   3.426   0.220  -6.167
  660   1HG2  ILE  84          1HG2      ILE  84  -0.875   0.272  -6.545
  661   2HG2  ILE  84          2HG2      ILE  84   0.326   0.737  -7.736
  662   3HG2  ILE  84          3HG2      ILE  84  -0.058  -0.949  -7.422
  663   1HD1  ILE  84          1HD1      ILE  84   3.567  -1.890  -7.437
  664   2HD1  ILE  84          2HD1      ILE  84   2.283  -2.221  -6.184
  665   3HD1  ILE  84          3HD1      ILE  84   2.152  -2.019  -7.967
  666    H    PHE  85           H        PHE  85  -0.049   2.812  -6.150
  667    HA   PHE  85           HA       PHE  85  -2.186   3.375  -4.210
  668   1HB   PHE  85          1HB       PHE  85  -0.738   5.287  -6.432
  669   2HB   PHE  85          2HB       PHE  85  -2.172   5.815  -5.566
  670    HD1  PHE  85           1HD      PHE  85   1.283   4.763  -5.020
  671    HD2  PHE  85           2HD      PHE  85  -2.041   6.778  -3.509
  672    HE1  PHE  85           1HE      PHE  85   2.770   5.843  -3.291
  673    HE2  PHE  85           2HE      PHE  85  -0.483   8.000  -1.841
  674    HZ   PHE  85           HZ       PHE  85   1.936   7.324  -1.815
  675    H    LEU  86           H        LEU  86  -3.867   2.335  -4.686
  676    HA   LEU  86           HA       LEU  86  -5.219   2.319  -7.313
  677   1HB   LEU  86          1HB       LEU  86  -4.209   0.298  -6.291
  678   2HB   LEU  86          2HB       LEU  86  -5.201   0.302  -5.019
  679    HG   LEU  86           HG       LEU  86  -6.220  -1.329  -6.542
  680   1HD1  LEU  86          1HD1      LEU  86  -8.095   0.333  -6.172
  681   2HD1  LEU  86          2HD1      LEU  86  -7.862   0.941  -7.892
  682   3HD1  LEU  86          3HD1      LEU  86  -8.173  -0.790  -7.581
  683   1HD2  LEU  86          1HD2      LEU  86  -4.612  -1.092  -8.342
  684   2HD2  LEU  86          2HD2      LEU  86  -6.143  -1.340  -8.990
  685   3HD2  LEU  86          3HD2      LEU  86  -5.355   0.356  -8.819
  686    H    LYS  87           H        LYS  87  -6.840   3.767  -7.116
  687    HA   LYS  87           HA       LYS  87  -8.505   4.406  -4.681
  688   1HB   LYS  87          1HB       LYS  87  -6.857   5.901  -6.259
  689   2HB   LYS  87          2HB       LYS  87  -8.196   5.891  -7.468
  690   1HG   LYS  87          1HG       LYS  87  -9.768   6.983  -5.830
  691   2HG   LYS  87          2HG       LYS  87  -8.563   6.839  -4.545
  692   1HD   LYS  87          1HD       LYS  87  -6.961   8.130  -6.068
  693   2HD   LYS  87          2HD       LYS  87  -8.368   8.358  -7.226
  694   1HE   LYS  87          1HE       LYS  87  -9.551   9.719  -5.373
  695   2HE   LYS  87          2HE       LYS  87  -8.291   9.403  -4.181
  696   1HZ   LYS  87          1HZ       LYS  87  -7.920  10.640  -6.859
  697   2HZ   LYS  87          2HZ       LYS  87  -8.039  11.521  -5.520
  698    H    ASP  88           H        ASP  88 -10.877   4.886  -5.206
  699    HA   ASP  88           HA       ASP  88 -12.445   3.476  -7.105
  700   1HB   ASP  88          1HB       ASP  88 -14.163   5.314  -6.661
  701   2HB   ASP  88          2HB       ASP  88 -13.510   4.805  -5.273
  702    HD2  ASP  88           HD       ASP  88 -12.430   8.154  -4.700
  703    H    GLY  89           H        GLY  89 -10.168   4.462  -8.528
  704   1HA   GLY  89          1HA       GLY  89 -11.495   4.611 -11.155
  705   2HA   GLY  89          2HA       GLY  89 -10.781   6.013 -10.828
  706    H    LYS  90           H        LYS  90  -9.859   2.506  -9.997
  707    HA   LYS  90           HA       LYS  90  -8.219   1.099 -10.555
  708   1HB   LYS  90          1HB       LYS  90  -8.358   2.349 -13.314
  709   2HB   LYS  90          2HB       LYS  90  -7.051   1.256 -12.956
  710   1HG   LYS  90          1HG       LYS  90  -8.637  -0.466 -12.527
  711   2HG   LYS  90          2HG       LYS  90 -10.030   0.630 -12.499
  712   1HD   LYS  90          1HD       LYS  90  -8.351  -0.173 -14.999
  713   2HD   LYS  90          2HD       LYS  90  -9.981  -0.799 -14.442
  714   1HE   LYS  90          1HE       LYS  90 -11.199   1.150 -14.997
  715   2HE   LYS  90          2HE       LYS  90  -9.780   2.249 -14.970
  716   1HZ   LYS  90          1HZ       LYS  90  -9.086   0.914 -16.978
  717   2HZ   LYS  90          2HZ       LYS  90 -10.465   1.892 -17.222
  718    H    LEU  91           H        LEU  91  -5.786   1.551 -11.754
  719    HA   LEU  91           HA       LEU  91  -4.179   2.246  -9.372
  720   1HB   LEU  91          1HB       LEU  91  -3.826   0.315 -11.024
  721   2HB   LEU  91          2HB       LEU  91  -3.569   1.470 -12.411
  722    HG   LEU  91           HG       LEU  91  -1.530   2.151 -11.782
  723   1HD1  LEU  91          1HD1      LEU  91  -0.349   1.256  -9.719
  724   2HD1  LEU  91          2HD1      LEU  91  -1.652   2.213  -9.301
  725   3HD1  LEU  91          3HD1      LEU  91  -1.688   0.448  -9.207
  726   1HD2  LEU  91          1HD2      LEU  91  -0.099   0.119 -11.992
  727   2HD2  LEU  91          2HD2      LEU  91  -1.502  -1.005 -11.389
  728   3HD2  LEU  91          3HD2      LEU  91  -1.595  -0.224 -12.899
  729    H    VAL  92           H        VAL  92  -4.167   4.154  -8.913
  730    HA   VAL  92           HA       VAL  92  -3.729   6.579 -10.637
  731    HB   VAL  92           HB       VAL  92  -3.973   8.009  -9.029
  732   1HG1  VAL  92          1HG1      VAL  92  -6.385   7.795  -8.574
  733   2HG1  VAL  92          2HG1      VAL  92  -5.840   7.382 -10.212
  734   3HG1  VAL  92          3HG1      VAL  92  -6.258   6.129  -8.877
  735   1HG2  VAL  92          1HG2      VAL  92  -4.705   7.477  -6.624
  736   2HG2  VAL  92          2HG2      VAL  92  -4.357   5.704  -6.960
  737   3HG2  VAL  92          3HG2      VAL  92  -3.069   7.079  -6.933
  738    H    ASP  93           H        ASP  93  -1.334   4.784  -8.569
  739    HA   ASP  93           HA       ASP  93   0.918   5.998 -10.091
  740   1HB   ASP  93          1HB       ASP  93   0.011   8.109  -8.614
  741   2HB   ASP  93          2HB       ASP  93   0.540   7.173  -7.237
  742    HD2  ASP  93           HD       ASP  93   2.519   7.336  -6.883
  743    H    LYS  94           H        LYS  94   3.186   5.827  -9.024
  744    HA   LYS  94           HA       LYS  94   3.339   3.364  -7.446
  745   1HB   LYS  94          1HB       LYS  94   4.465   2.053  -9.144
  746   2HB   LYS  94          2HB       LYS  94   2.780   2.221  -9.594
  747   1HG   LYS  94          1HG       LYS  94   4.913   3.939 -10.970
  748   2HG   LYS  94          2HG       LYS  94   4.321   2.314 -11.404
  749   1HD   LYS  94          1HD       LYS  94   2.717   4.897 -11.514
  750   2HD   LYS  94          2HD       LYS  94   3.087   3.963 -12.927
  751   1HE   LYS  94          1HE       LYS  94   1.542   2.104 -12.019
  752   2HE   LYS  94          2HE       LYS  94   1.197   3.226 -10.714
  753   1HZ   LYS  94          1HZ       LYS  94   0.587   3.893 -13.363
  754   2HZ   LYS  94          2HZ       LYS  94  -0.498   3.172 -12.397
  755    H    THR  95           H        THR  95   5.295   3.345  -6.363
  756    HA   THR  95           HA       THR  95   7.751   4.665  -7.216
  757    HB   THR  95           HB       THR  95   6.418   5.681  -4.758
  758    HG1  THR  95           1HG      THR  95   6.443   6.579  -7.153
  759   1HG2  THR  95          1HG2      THR  95   8.977   5.777  -4.655
  760   2HG2  THR  95          2HG2      THR  95   9.072   6.948  -5.956
  761   3HG2  THR  95          3HG2      THR  95   8.222   7.482  -4.570
  762    H    VAL  96           H        VAL  96   9.226   4.121  -6.028
  763    HA   VAL  96           HA       VAL  96   9.230   1.842  -4.079
  764    HB   VAL  96           HB       VAL  96   9.128   0.407  -5.792
  765   1HG1  VAL  96          1HG1      VAL  96  10.561   0.576  -7.845
  766   2HG1  VAL  96          2HG1      VAL  96   9.467   1.921  -7.635
  767   3HG1  VAL  96          3HG1      VAL  96  11.122   2.218  -7.355
  768   1HG2  VAL  96          1HG2      VAL  96  11.112   0.044  -4.271
  769   2HG2  VAL  96          2HG2      VAL  96  11.043  -1.020  -5.705
  770   3HG2  VAL  96          3HG2      VAL  96  12.245   0.281  -5.611
  771    H    GLY  97           H        GLY  97  10.395   2.467  -2.580
  772   1HA   GLY  97          1HA       GLY  97  12.835   2.795  -2.169
  773   2HA   GLY  97          2HA       GLY  97  12.438   4.549  -2.588
  774    H    ALA  98           H        ALA  98  12.035   2.189  -0.186
  775    HA   ALA  98           HA       ALA  98  10.310   3.599   1.766
  776   1HB   ALA  98          1HB       ALA  98  12.719   1.680   2.289
  777   2HB   ALA  98          2HB       ALA  98  11.613   2.374   3.477
  778   3HB   ALA  98          3HB       ALA  98  11.011   1.325   2.017
  779    H    ASP  99           H        ASP  99  10.432   5.285   2.678
  780    HA   ASP  99           HA       ASP  99  12.896   6.714   3.785
  781   1HB   ASP  99          1HB       ASP  99  12.705   7.283   1.220
  782   2HB   ASP  99          2HB       ASP  99  11.245   8.170   1.688
  783    HD2  ASP  99           HD       ASP  99  13.269  10.849   1.790
  784    H    LYS 100           H        LYS 100  12.478   7.441   5.535
  785    HA   LYS 100           HA       LYS 100  10.186   7.464   6.795
  786   1HB   LYS 100          1HB       LYS 100  10.826   8.920   8.546
  787   2HB   LYS 100          2HB       LYS 100  11.926   7.579   8.333
  788   1HG   LYS 100          1HG       LYS 100  12.604  10.399   7.328
  789   2HG   LYS 100          2HG       LYS 100  13.002   9.863   8.904
  790   1HD   LYS 100          1HD       LYS 100  14.395   8.055   7.772
  791   2HD   LYS 100          2HD       LYS 100  13.884   8.551   6.125
  792   1HE   LYS 100          1HE       LYS 100  15.019  10.948   6.664
  793   2HE   LYS 100          2HE       LYS 100  15.501  10.309   8.293
  794   1HZ   LYS 100          1HZ       LYS 100  16.167   8.856   5.589
  795   2HZ   LYS 100          2HZ       LYS 100  17.155   9.874   6.230
  796    H    ASP 101           H        ASP 101  11.343  10.612   5.626
  797    HA   ASP 101           HA       ASP 101   8.745  11.945   5.692
  798   1HB   ASP 101          1HB       ASP 101   9.897  13.916   5.110
  799   2HB   ASP 101          2HB       ASP 101  10.791  13.060   6.289
  800    HD2  ASP 101           HD       ASP 101  12.907  14.568   3.622
  801    H    GLY 102           H        GLY 102  10.467  10.849   3.023
  802   1HA   GLY 102          1HA       GLY 102   8.873  11.578   0.821
  803   2HA   GLY 102          2HA       GLY 102   9.621  10.051   0.782
  804    H    LEU 103           H        LEU 103   8.092   8.643   2.715
  805    HA   LEU 103           HA       LEU 103   5.756   7.872   1.223
  806   1HB   LEU 103          1HB       LEU 103   6.977   6.293   2.469
  807   2HB   LEU 103          2HB       LEU 103   6.750   7.152   3.947
  808    HG   LEU 103           HG       LEU 103   4.340   6.668   4.040
  809   1HD1  LEU 103          1HD1      LEU 103   3.277   5.056   2.310
  810   2HD1  LEU 103          2HD1      LEU 103   4.105   6.304   1.356
  811   3HD1  LEU 103          3HD1      LEU 103   4.841   4.718   1.616
  812   1HD2  LEU 103          1HD2      LEU 103   4.677   4.106   4.423
  813   2HD2  LEU 103          2HD2      LEU 103   6.287   4.382   3.904
  814   3HD2  LEU 103          3HD2      LEU 103   5.770   5.166   5.268
  815    HA   PRO 104           HA       PRO 104   2.866  10.680   4.016
  816   1HB   PRO 104          1HB       PRO 104   5.010  12.477   5.081
  817   2HB   PRO 104          2HB       PRO 104   3.487  12.036   5.969
  818   1HG   PRO 104          1HG       PRO 104   5.873  10.961   6.699
  819   2HG   PRO 104          2HG       PRO 104   4.371   9.923   6.622
  820   1HD   PRO 104          1HD       PRO 104   6.741  10.092   4.607
  821   2HD   PRO 104          2HD       PRO 104   5.901   8.705   5.087
  822    H    THR 105           H        THR 105   5.674  12.075   2.588
  823    HA   THR 105           HA       THR 105   4.382  14.522   1.550
  824    HB   THR 105           HB       THR 105   6.801  12.967   0.359
  825    HG1  THR 105           1HG      THR 105   7.393  13.266   2.337
  826   1HG2  THR 105          1HG2      THR 105   7.591  15.423  -0.283
  827   2HG2  THR 105          2HG2      THR 105   6.013  15.306  -0.936
  828   3HG2  THR 105          3HG2      THR 105   6.202  16.178   0.595
  829    H    LEU 106           H        LEU 106   5.115  11.358  -0.169
  830    HA   LEU 106           HA       LEU 106   3.747  11.807  -2.624
  831   1HB   LEU 106          1HB       LEU 106   5.532  10.214  -2.182
  832   2HB   LEU 106          2HB       LEU 106   4.477   9.253  -1.171
  833    HG   LEU 106           HG       LEU 106   3.026   8.744  -3.246
  834   1HD1  LEU 106          1HD1      LEU 106   3.491   9.027  -5.335
  835   2HD1  LEU 106          2HD1      LEU 106   3.795  10.657  -4.636
  836   3HD1  LEU 106          3HD1      LEU 106   5.176   9.797  -5.033
  837   1HD2  LEU 106          1HD2      LEU 106   4.666   7.152  -4.293
  838   2HD2  LEU 106          2HD2      LEU 106   5.923   7.811  -3.419
  839   3HD2  LEU 106          3HD2      LEU 106   4.760   6.936  -2.397
  840    H    VAL 107           H        VAL 107   2.418  10.187   0.217
  841    HA   VAL 107           HA       VAL 107  -0.374   9.855  -0.598
  842    HB   VAL 107           HB       VAL 107   1.102   9.856   2.120
  843   1HG1  VAL 107          1HG1      VAL 107  -1.161  10.375   2.771
  844   2HG1  VAL 107          2HG1      VAL 107  -1.829   9.391   1.547
  845   3HG1  VAL 107          3HG1      VAL 107  -1.050   8.616   2.973
  846   1HG2  VAL 107          1HG2      VAL 107   0.696   7.340   1.963
  847   2HG2  VAL 107          2HG2      VAL 107  -0.045   7.484   0.326
  848   3HG2  VAL 107          3HG2      VAL 107   1.625   7.985   0.616
  849    H    ALA 108           H        ALA 108   0.613  12.330   1.847
  850    HA   ALA 108           HA       ALA 108  -1.292  14.079   1.803
  851   1HB   ALA 108          1HB       ALA 108   0.185  15.936   2.054
  852   2HB   ALA 108          2HB       ALA 108   0.923  14.513   2.788
  853   3HB   ALA 108          3HB       ALA 108   1.405  15.015   1.091
  854    H    LYS 109           H        LYS 109   0.861  14.181  -1.046
  855    HA   LYS 109           HA       LYS 109  -0.770  15.852  -2.810
  856   1HB   LYS 109          1HB       LYS 109   1.277  13.799  -3.481
  857   2HB   LYS 109          2HB       LYS 109   0.553  14.848  -4.648
  858   1HG   LYS 109          1HG       LYS 109   1.474  16.721  -4.198
  859   2HG   LYS 109          2HG       LYS 109   1.735  16.453  -2.433
  860   1HD   LYS 109          1HD       LYS 109   3.853  16.426  -3.411
  861   2HD   LYS 109          2HD       LYS 109   3.405  14.771  -2.951
  862   1HE   LYS 109          1HE       LYS 109   2.782  14.790  -5.760
  863   2HE   LYS 109          2HE       LYS 109   3.794  16.242  -5.581
  864   1HZ   LYS 109          1HZ       LYS 109   5.494  14.854  -4.600
  865   2HZ   LYS 109          2HZ       LYS 109   4.566  13.512  -4.598
  866    H    HIS 110           H        HIS 110  -0.737  12.215  -2.487
  867    HA   HIS 110           HA       HIS 110  -2.779  11.862  -4.605
  868   1HB   HIS 110          1HB       HIS 110  -1.311  10.041  -2.531
  869   2HB   HIS 110          2HB       HIS 110  -2.580   9.357  -3.478
  870    HD1  HIS 110           1HD      HIS 110  -2.600  10.262  -6.120
  871    HD2  HIS 110           2HD      HIS 110   0.999  10.255  -4.119
  872    HE1  HIS 110           1HE      HIS 110  -0.609  10.564  -7.748
  873    H    ALA 111           H        ALA 111  -2.944  11.829  -1.135
  874    HA   ALA 111           HA       ALA 111  -5.837  11.415  -0.749
  875   1HB   ALA 111          1HB       ALA 111  -5.382  12.362   1.460
  876   2HB   ALA 111          2HB       ALA 111  -4.204  11.057   1.106
  877   3HB   ALA 111          3HB       ALA 111  -3.707  12.777   1.085
  878    H    THR 112           H        THR 112  -4.144  14.562  -1.166
  879    HA   THR 112           HA       THR 112  -6.541  16.297  -1.041
  880    HB   THR 112           HB       THR 112  -3.602  16.837  -2.034
  881    HG1  THR 112           1HG      THR 112  -3.274  16.208  -0.099
  882   1HG2  THR 112          1HG2      THR 112  -5.293  18.612  -2.542
  883   2HG2  THR 112          2HG2      THR 112  -5.728  18.653  -0.818
  884   3HG2  THR 112          3HG2      THR 112  -4.051  19.153  -1.298
  885    H    ALA 113           H        ALA 113  -4.316  15.429  -3.672
  886    HA   ALA 113           HA       ALA 113  -5.627  15.985  -5.917
  887   1HB   ALA 113          1HB       ALA 113  -4.364  13.256  -5.586
  888   2HB   ALA 113          2HB       ALA 113  -4.804  13.940  -7.177
  889   3HB   ALA 113          3HB       ALA 113  -3.527  14.763  -6.105
  890    HXT  ALA 113           HO       ALA 113  -8.538  14.479  -6.969
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1 -13.573   9.926  16.344
    2   2H    ALA   1          2H        ALA   1 -13.926   8.469  16.963
    3    HA   ALA   1           HA       ALA   1 -11.255   9.507  16.221
    4   1HB   ALA   1          1HB       ALA   1 -10.264   7.401  16.974
    5   2HB   ALA   1          2HB       ALA   1 -11.188   8.030  18.400
    6   3HB   ALA   1          3HB       ALA   1 -11.866   6.719  17.365
    7    H    GLU   2           H        GLU   2 -11.044   9.262  14.172
    8    HA   GLU   2           HA       GLU   2 -12.001   7.002  12.588
    9   1HB   GLU   2          1HB       GLU   2 -13.669   8.793  12.442
   10   2HB   GLU   2          2HB       GLU   2 -12.408   9.986  12.113
   11   1HG   GLU   2          1HG       GLU   2 -11.994   8.875   9.895
   12   2HG   GLU   2          2HG       GLU   2 -12.931   7.411  10.279
   13    HE2  GLU   2           HE       GLU   2 -14.758  10.730   8.986
   14    H    GLU   3           H        GLU   3 -10.310   6.217  11.526
   15    HA   GLU   3           HA       GLU   3  -8.204   8.016  10.368
   16   1HB   GLU   3          1HB       GLU   3  -6.239   6.946  11.478
   17   2HB   GLU   3          2HB       GLU   3  -7.204   7.881  12.557
   18   1HG   GLU   3          1HG       GLU   3  -8.344   5.736  13.517
   19   2HG   GLU   3          2HG       GLU   3  -7.495   4.807  12.247
   20    HE2  GLU   3           HE       GLU   3  -4.549   4.727  13.833
   21    H    GLY   4           H        GLY   4  -6.610   6.692   9.369
   22   1HA   GLY   4          1HA       GLY   4  -7.500   4.503   7.606
   23   2HA   GLY   4          2HA       GLY   4  -5.973   5.392   7.517
   24    H    GLN   5           H        GLN   5  -6.063   2.614   7.486
   25    HA   GLN   5           HA       GLN   5  -4.794   1.732  10.033
   26   1HB   GLN   5          1HB       GLN   5  -6.335  -0.031  10.560
   27   2HB   GLN   5          2HB       GLN   5  -7.211   1.520  10.603
   28   1HG   GLN   5          1HG       GLN   5  -7.876   0.787   7.955
   29   2HG   GLN   5          2HG       GLN   5  -7.218  -0.801   8.434
   30   1HE2  GLN   5          1HE2      GLN   5  -9.984   1.077   8.492
   31   2HE2  GLN   5          2HE2      GLN   5 -10.837   0.027   9.706
   32    H    VAL   6           H        VAL   6  -3.361   0.575   9.484
   33    HA   VAL   6           HA       VAL   6  -2.832  -0.920   7.008
   34    HB   VAL   6           HB       VAL   6  -1.038  -0.901   9.603
   35   1HG1  VAL   6          1HG1      VAL   6   0.791  -1.286   7.853
   36   2HG1  VAL   6          2HG1      VAL   6  -0.318  -2.690   8.015
   37   3HG1  VAL   6          3HG1      VAL   6  -0.428  -1.572   6.635
   38   1HG2  VAL   6          1HG2      VAL   6  -0.716   0.812   7.014
   39   2HG2  VAL   6          2HG2      VAL   6  -1.608   1.497   8.388
   40   3HG2  VAL   6          3HG2      VAL   6   0.084   1.142   8.549
   41    H    ILE   7           H        ILE   7  -3.228  -2.770   6.652
   42    HA   ILE   7           HA       ILE   7  -3.767  -4.967   8.481
   43    HB   ILE   7           HB       ILE   7  -5.866  -3.748   7.428
   44   1HG1  ILE   7          1HG1      ILE   7  -5.857  -5.735   8.941
   45   2HG1  ILE   7          2HG1      ILE   7  -7.357  -5.554   7.876
   46   1HG2  ILE   7          1HG2      ILE   7  -6.908  -4.306   5.546
   47   2HG2  ILE   7          2HG2      ILE   7  -5.293  -3.691   5.190
   48   3HG2  ILE   7          3HG2      ILE   7  -5.657  -5.442   5.025
   49   1HD1  ILE   7          1HD1      ILE   7  -5.106  -7.494   7.455
   50   2HD1  ILE   7          2HD1      ILE   7  -6.814  -7.832   7.663
   51   3HD1  ILE   7          3HD1      ILE   7  -6.168  -7.150   6.219
   52    H    ALA   8           H        ALA   8  -2.634  -6.556   8.342
   53    HA   ALA   8           HA       ALA   8  -0.687  -7.174   6.161
   54   1HB   ALA   8          1HB       ALA   8  -1.662  -8.376   8.893
   55   2HB   ALA   8          2HB       ALA   8  -0.918  -9.510   7.758
   56   3HB   ALA   8          3HB       ALA   8  -0.071  -8.107   8.201
   57    H    CYS   9           H        CYS   9  -0.907  -8.228   4.477
   58    HA   CYS   9           HA       CYS   9  -3.155  -9.974   3.502
   59   1HB   CYS   9          1HB       CYS   9  -1.342  -7.956   1.878
   60   2HB   CYS   9          2HB       CYS   9  -2.602  -9.091   1.363
   61    HG   CYS   9           HG       CYS   9  -4.546  -8.309   2.967
   62    H    HIS  10           H        HIS  10  -2.756 -11.547   2.533
   63    HA   HIS  10           HA       HIS  10  -0.076 -13.040   2.607
   64   1HB   HIS  10          1HB       HIS  10  -2.756 -13.907   3.688
   65   2HB   HIS  10          2HB       HIS  10  -1.362 -14.955   3.688
   66    HD1  HIS  10           1HD      HIS  10  -2.987 -14.505   6.020
   67    HD2  HIS  10           2HD      HIS  10   0.844 -12.762   5.161
   68    HE1  HIS  10           1HE      HIS  10  -1.805 -13.384   8.303
   69    H    THR  11           H        THR  11  -3.312 -13.338   1.255
   70    HA   THR  11           HA       THR  11  -2.613 -15.397  -0.721
   71    HB   THR  11           HB       THR  11  -4.302 -16.981   0.334
   72    HG1  THR  11           1HG      THR  11  -5.160 -16.134   2.362
   73   1HG2  THR  11          1HG2      THR  11  -3.426 -17.665   2.575
   74   2HG2  THR  11          2HG2      THR  11  -2.067 -17.407   1.616
   75   3HG2  THR  11          3HG2      THR  11  -2.741 -16.192   2.807
   76    H    VAL  12           H        VAL  12  -4.630 -16.228  -1.604
   77    HA   VAL  12           HA       VAL  12  -6.019 -14.212  -3.069
   78    HB   VAL  12           HB       VAL  12  -5.941 -16.534  -3.768
   79   1HG1  VAL  12          1HG1      VAL  12  -6.670 -17.801  -1.892
   80   2HG1  VAL  12          2HG1      VAL  12  -8.211 -16.956  -1.621
   81   3HG1  VAL  12          3HG1      VAL  12  -8.087 -18.103  -2.984
   82   1HG2  VAL  12          1HG2      VAL  12  -8.832 -15.569  -3.952
   83   2HG2  VAL  12          2HG2      VAL  12  -7.512 -15.097  -4.993
   84   3HG2  VAL  12          3HG2      VAL  12  -8.092 -16.793  -4.958
   85    H    ASP  13           H        ASP  13  -6.557 -14.242  -0.050
   86    HA   ASP  13           HA       ASP  13  -9.200 -13.067   0.045
   87   1HB   ASP  13          1HB       ASP  13  -7.249 -13.621   2.429
   88   2HB   ASP  13          2HB       ASP  13  -8.339 -12.319   2.479
   89    HD2  ASP  13           HD       ASP  13  -9.611 -12.894   3.878
   90    H    THR  14           H        THR  14  -5.873 -12.001  -0.030
   91    HA   THR  14           HA       THR  14  -6.521  -9.115   0.145
   92    HB   THR  14           HB       THR  14  -4.367 -10.032   0.434
   93    HG1  THR  14           1HG      THR  14  -4.773  -7.816  -1.283
   94   1HG2  THR  14          1HG2      THR  14  -4.064  -9.656  -2.653
   95   2HG2  THR  14          2HG2      THR  14  -2.735 -10.088  -1.395
   96   3HG2  THR  14          3HG2      THR  14  -4.037 -11.232  -1.961
   97    H    TRP  15           H        TRP  15  -6.544 -11.473  -2.530
   98    HA   TRP  15           HA       TRP  15  -7.379  -9.652  -4.575
   99   1HB   TRP  15          1HB       TRP  15  -7.478 -12.578  -4.241
  100   2HB   TRP  15          2HB       TRP  15  -8.704 -12.097  -5.371
  101    HD1  TRP  15           HD       TRP  15  -4.950 -12.712  -5.328
  102    HE1  TRP  15           1HE      TRP  15  -3.820 -12.081  -7.741
  103    HE3  TRP  15           3HE      TRP  15  -8.904  -9.776  -6.830
  104    HZ2  TRP  15           2HZ      TRP  15  -4.882 -10.248  -9.898
  105    HZ3  TRP  15           3HZ      TRP  15  -8.598  -8.352  -8.776
  106    HH2  TRP  15           HH       TRP  15  -6.796  -8.715 -10.359
  107    H    LYS  16           H        LYS  16  -9.604 -11.424  -2.537
  108    HA   LYS  16           HA       LYS  16 -11.943  -9.650  -3.052
  109   1HB   LYS  16          1HB       LYS  16 -11.351 -11.195  -0.613
  110   2HB   LYS  16          2HB       LYS  16 -12.882 -10.454  -0.654
  111   1HG   LYS  16          1HG       LYS  16 -13.704 -11.721  -2.630
  112   2HG   LYS  16          2HG       LYS  16 -12.110 -12.296  -3.034
  113   1HD   LYS  16          1HD       LYS  16 -13.944 -12.677  -0.429
  114   2HD   LYS  16          2HD       LYS  16 -13.960 -13.773  -1.803
  115   1HE   LYS  16          1HE       LYS  16 -11.534 -14.357  -1.390
  116   2HE   LYS  16          2HE       LYS  16 -11.529 -13.377   0.035
  117   1HZ   LYS  16          1HZ       LYS  16 -11.868 -15.876   0.228
  118   2HZ   LYS  16          2HZ       LYS  16 -12.844 -14.965   1.209
  119    H    GLU  17           H        GLU  17  -9.351  -8.957  -0.852
  120    HA   GLU  17           HA       GLU  17 -10.651  -6.693   0.697
  121   1HB   GLU  17          1HB       GLU  17  -7.847  -7.737   0.986
  122   2HB   GLU  17          2HB       GLU  17  -8.686  -6.409   1.865
  123   1HG   GLU  17          1HG       GLU  17 -10.289  -7.992   2.848
  124   2HG   GLU  17          2HG       GLU  17  -9.462  -9.281   1.954
  125    HE2  GLU  17           HE       GLU  17  -6.793  -7.598   4.585
  126    H    HIS  18           H        HIS  18  -7.773  -6.803  -1.298
  127    HA   HIS  18           HA       HIS  18  -7.318  -3.954  -1.647
  128   1HB   HIS  18          1HB       HIS  18  -5.530  -5.611  -1.959
  129   2HB   HIS  18          2HB       HIS  18  -6.479  -6.375  -3.294
  130    HD1  HIS  18           1HD      HIS  18  -6.680  -4.054  -5.487
  131    HD2  HIS  18           2HD      HIS  18  -3.477  -4.694  -2.764
  132    HE1  HIS  18           1HE      HIS  18  -4.481  -3.241  -6.524
  133    H    PHE  19           H        PHE  19  -8.703  -6.302  -4.007
  134    HA   PHE  19           HA       PHE  19  -9.284  -4.260  -6.029
  135   1HB   PHE  19          1HB       PHE  19  -8.795  -6.595  -6.434
  136   2HB   PHE  19          2HB       PHE  19 -10.497  -6.977  -6.000
  137    HD1  PHE  19           1HD      PHE  19 -12.256  -6.698  -7.778
  138    HD2  PHE  19           2HD      PHE  19  -8.365  -4.888  -8.299
  139    HE1  PHE  19           1HE      PHE  19 -12.813  -6.206 -10.157
  140    HE2  PHE  19           2HE      PHE  19  -8.947  -4.314 -10.665
  141    HZ   PHE  19           HZ       PHE  19 -11.260  -5.158 -11.496
  142    H    GLU  20           H        GLU  20 -11.665  -5.981  -4.057
  143    HA   GLU  20           HA       GLU  20 -13.879  -4.159  -4.607
  144   1HB   GLU  20          1HB       GLU  20 -13.636  -5.878  -2.096
  145   2HB   GLU  20          2HB       GLU  20 -15.128  -5.293  -2.845
  146   1HG   GLU  20          1HG       GLU  20 -13.364  -7.486  -4.046
  147   2HG   GLU  20          2HG       GLU  20 -14.736  -7.756  -3.085
  148    HE2  GLU  20           HE       GLU  20 -16.362  -8.172  -6.118
  149    H    LYS  21           H        LYS  21 -11.631  -3.698  -1.737
  150    HA   LYS  21           HA       LYS  21 -12.747  -1.183  -0.895
  151   1HB   LYS  21          1HB       LYS  21  -9.968  -2.144  -0.563
  152   2HB   LYS  21          2HB       LYS  21 -10.490  -0.685   0.118
  153   1HG   LYS  21          1HG       LYS  21 -11.619  -3.485   0.709
  154   2HG   LYS  21          2HG       LYS  21 -10.340  -2.767   1.548
  155   1HD   LYS  21          1HD       LYS  21 -11.696  -1.059   2.582
  156   2HD   LYS  21          2HD       LYS  21 -13.020  -1.335   1.493
  157   1HE   LYS  21          1HE       LYS  21 -13.580  -2.262   3.561
  158   2HE   LYS  21          2HE       LYS  21 -13.510  -3.590   2.365
  159   1HZ   LYS  21          1HZ       LYS  21 -11.069  -3.704   3.379
  160   2HZ   LYS  21          2HZ       LYS  21 -11.627  -3.049   4.680
  161    H    GLY  22           H        GLY  22  -9.939  -1.621  -3.101
  162   1HA   GLY  22          1HA       GLY  22  -9.593   1.112  -3.774
  163   2HA   GLY  22          2HA       GLY  22  -9.005  -0.254  -4.833
  164    H    LYS  23           H        LYS  23 -10.558  -1.115  -6.134
  165    HA   LYS  23           HA       LYS  23 -12.283   0.806  -7.748
  166   1HB   LYS  23          1HB       LYS  23 -10.940  -0.789  -9.064
  167   2HB   LYS  23          2HB       LYS  23 -12.102  -2.029  -8.395
  168   1HG   LYS  23          1HG       LYS  23 -14.075  -0.582  -9.185
  169   2HG   LYS  23          2HG       LYS  23 -12.783   0.168 -10.301
  170   1HD   LYS  23          1HD       LYS  23 -13.495  -2.755 -10.151
  171   2HD   LYS  23          2HD       LYS  23 -14.113  -1.593 -11.301
  172   1HE   LYS  23          1HE       LYS  23 -11.140  -2.443 -10.921
  173   2HE   LYS  23          2HE       LYS  23 -12.140  -3.149 -12.156
  174   1HZ   LYS  23          1HZ       LYS  23 -10.942  -1.527 -13.301
  175   2HZ   LYS  23          2HZ       LYS  23 -12.383  -0.813 -13.302
  176    H    GLY  24           H        GLY  24 -13.826   1.173  -6.380
  177   1HA   GLY  24          1HA       GLY  24 -16.083   0.583  -6.606
  178   2HA   GLY  24          2HA       GLY  24 -15.848  -0.835  -5.489
  179    H    SER  25           H        SER  25 -14.354   0.773  -3.871
  180    HA   SER  25           HA       SER  25 -16.482   1.922  -2.145
  181   1HB   SER  25          1HB       SER  25 -14.007   0.840  -1.054
  182   2HB   SER  25          2HB       SER  25 -15.067   1.849  -0.118
  183    HG   SER  25           HG       SER  25 -15.964  -0.620  -1.101
  184    H    GLN  26           H        GLN  26 -16.392   3.932  -1.457
  185    HA   GLN  26           HA       GLN  26 -14.923   6.044  -3.051
  186   1HB   GLN  26          1HB       GLN  26 -17.183   6.338  -0.912
  187   2HB   GLN  26          2HB       GLN  26 -16.227   7.596  -1.707
  188   1HG   GLN  26          1HG       GLN  26 -18.324   7.321  -2.883
  189   2HG   GLN  26          2HG       GLN  26 -16.946   7.121  -3.849
  190   1HE2  GLN  26          1HE2      GLN  26 -17.356   5.673  -5.235
  191   2HE2  GLN  26          2HE2      GLN  26 -18.392   4.163  -5.097
  192    H    LYS  27           H        LYS  27 -12.847   4.944  -2.355
  193    HA   LYS  27           HA       LYS  27 -11.535   6.803  -0.523
  194   1HB   LYS  27          1HB       LYS  27 -10.706   4.952   1.023
  195   2HB   LYS  27          2HB       LYS  27 -12.493   5.058   1.018
  196   1HG   LYS  27          1HG       LYS  27 -12.378   3.020  -0.470
  197   2HG   LYS  27          2HG       LYS  27 -10.661   2.945  -0.294
  198   1HD   LYS  27          1HD       LYS  27 -11.569   1.374   1.464
  199   2HD   LYS  27          2HD       LYS  27 -10.952   2.712   2.090
  200   1HE   LYS  27          1HE       LYS  27 -13.122   3.776   2.599
  201   2HE   LYS  27          2HE       LYS  27 -14.019   2.836   1.555
  202   1HZ   LYS  27          1HZ       LYS  27 -12.669   1.899   3.962
  203   2HZ   LYS  27          2HZ       LYS  27 -14.291   2.349   3.870
  204    H    LEU  28           H        LEU  28  -9.416   6.456  -0.285
  205    HA   LEU  28           HA       LEU  28  -7.933   5.595  -2.652
  206   1HB   LEU  28          1HB       LEU  28  -7.552   7.969  -1.684
  207   2HB   LEU  28          2HB       LEU  28  -7.041   7.323  -0.167
  208    HG   LEU  28           HG       LEU  28  -5.013   6.412  -1.311
  209   1HD1  LEU  28          1HD1      LEU  28  -4.509   7.051  -3.649
  210   2HD1  LEU  28          2HD1      LEU  28  -5.792   6.012  -3.695
  211   3HD1  LEU  28          3HD1      LEU  28  -6.195   7.696  -3.735
  212   1HD2  LEU  28          1HD2      LEU  28  -5.157   8.686  -0.369
  213   2HD2  LEU  28          2HD2      LEU  28  -3.955   8.376  -1.516
  214   3HD2  LEU  28          3HD2      LEU  28  -5.327   9.370  -1.952
  215    H    ILE  29           H        ILE  29  -6.478   3.954  -2.297
  216    HA   ILE  29           HA       ILE  29  -5.958   2.468   0.280
  217    HB   ILE  29           HB       ILE  29  -6.286   0.370  -0.426
  218   1HG1  ILE  29          1HG1      ILE  29  -6.995   0.914  -3.284
  219   2HG1  ILE  29          2HG1      ILE  29  -5.320   0.748  -2.914
  220   1HG2  ILE  29          1HG2      ILE  29  -8.664   0.105  -1.242
  221   2HG2  ILE  29          2HG2      ILE  29  -8.610   1.381  -0.023
  222   3HG2  ILE  29          3HG2      ILE  29  -8.637   1.901  -1.642
  223   1HD1  ILE  29          1HD1      ILE  29  -6.344  -1.366  -3.661
  224   2HD1  ILE  29          2HD1      ILE  29  -5.498  -1.488  -2.054
  225   3HD1  ILE  29          3HD1      ILE  29  -7.384  -1.560  -2.182
  226    H    VAL  30           H        VAL  30  -3.890   2.367   0.542
  227    HA   VAL  30           HA       VAL  30  -1.836   2.766  -1.626
  228    HB   VAL  30           HB       VAL  30  -1.788   4.037   1.127
  229   1HG1  VAL  30          1HG1      VAL  30   0.557   3.903  -0.860
  230   2HG1  VAL  30          2HG1      VAL  30   0.595   4.982   0.586
  231   3HG1  VAL  30          3HG1      VAL  30   0.345   3.369   0.829
  232   1HG2  VAL  30          1HG2      VAL  30  -1.505   6.218  -0.292
  233   2HG2  VAL  30          2HG2      VAL  30  -2.042   5.233  -1.702
  234   3HG2  VAL  30          3HG2      VAL  30  -3.128   5.521  -0.212
  235    H    VAL  31           H        VAL  31  -0.427   1.103  -1.637
  236    HA   VAL  31           HA       VAL  31  -0.442  -1.118   0.400
  237    HB   VAL  31           HB       VAL  31  -2.164  -1.713  -0.853
  238   1HG1  VAL  31          1HG1      VAL  31  -1.692  -0.103  -2.968
  239   2HG1  VAL  31          2HG1      VAL  31  -0.926  -1.506  -3.707
  240   3HG1  VAL  31          3HG1      VAL  31  -2.555  -1.660  -3.110
  241   1HG2  VAL  31          1HG2      VAL  31  -1.456  -3.851  -1.641
  242   2HG2  VAL  31          2HG2      VAL  31   0.109  -3.484  -1.961
  243   3HG2  VAL  31          3HG2      VAL  31  -0.374  -3.414  -0.357
  244    H    ASP  32           H        ASP  32   1.321  -1.430   0.968
  245    HA   ASP  32           HA       ASP  32   3.921  -1.183  -0.400
  246   1HB   ASP  32          1HB       ASP  32   3.543  -0.531   2.083
  247   2HB   ASP  32          2HB       ASP  32   3.727  -2.260   2.427
  248    HD2  ASP  32           HD       ASP  32   6.934  -0.452   0.422
  249    H    PHE  33           H        PHE  33   5.130  -2.799  -1.095
  250    HA   PHE  33           HA       PHE  33   4.358  -5.722  -0.988
  251   1HB   PHE  33          1HB       PHE  33   5.121  -4.097  -3.509
  252   2HB   PHE  33          2HB       PHE  33   5.165  -5.828  -3.349
  253    HD1  PHE  33           1HD      PHE  33   3.255  -6.953  -3.355
  254    HD2  PHE  33           2HD      PHE  33   2.987  -2.760  -3.740
  255    HE1  PHE  33           1HE      PHE  33   0.768  -7.141  -4.106
  256    HE2  PHE  33           2HE      PHE  33   0.687  -3.051  -4.518
  257    HZ   PHE  33           HZ       PHE  33  -0.523  -4.993  -4.414
  258    H    THR  34           H        THR  34   6.044  -6.782  -0.114
  259    HA   THR  34           HA       THR  34   8.737  -5.753   0.135
  260    HB   THR  34           HB       THR  34   7.781  -4.087   1.826
  261    HG1  THR  34           1HG      THR  34   9.142  -6.417   2.928
  262   1HG2  THR  34          1HG2      THR  34   6.342  -6.552   3.106
  263   2HG2  THR  34          2HG2      THR  34   6.552  -4.929   3.888
  264   3HG2  THR  34          3HG2      THR  34   5.859  -4.952   2.313
  265    H    ALA  35           H        ALA  35   9.820  -7.145   1.135
  266    HA   ALA  35           HA       ALA  35   9.239 -10.033   1.206
  267   1HB   ALA  35          1HB       ALA  35  11.030  -9.508  -0.109
  268   2HB   ALA  35          2HB       ALA  35  11.700  -8.285   1.129
  269   3HB   ALA  35          3HB       ALA  35  11.704 -10.098   1.411
  270    H    SER  36           H        SER  36   9.224 -11.127   2.961
  271    HA   SER  36           HA       SER  36   9.459 -10.199   5.727
  272   1HB   SER  36          1HB       SER  36   8.519 -12.410   5.212
  273   2HB   SER  36          2HB       SER  36  10.139 -12.897   4.714
  274    HG   SER  36           HG       SER  36   9.778 -13.423   6.920
  275    H    TRP  37           H        TRP  37  12.113 -11.314   3.596
  276    HA   TRP  37           HA       TRP  37  14.435 -10.733   5.194
  277   1HB   TRP  37          1HB       TRP  37  15.644 -11.372   3.223
  278   2HB   TRP  37          2HB       TRP  37  14.562 -12.526   3.730
  279    HD1  TRP  37           HD       TRP  37  12.506 -13.275   2.301
  280    HE1  TRP  37           1HE      TRP  37  11.981 -13.265  -0.236
  281    HE3  TRP  37           3HE      TRP  37  16.240 -10.131   0.936
  282    HZ2  TRP  37           2HZ      TRP  37  12.934 -11.692  -2.387
  283    HZ3  TRP  37           3HZ      TRP  37  16.344  -9.316  -1.432
  284    HH2  TRP  37           HH       TRP  37  14.709 -10.139  -3.127
  285    H    CYS  38           H        CYS  38  13.847  -8.312   5.827
  286    HA   CYS  38           HA       CYS  38  14.649  -6.218   3.977
  287   1HB   CYS  38          1HB       CYS  38  12.327  -6.771   2.926
  288   2HB   CYS  38          2HB       CYS  38  11.613  -6.104   4.390
  289    HG   CYS  38           HG       CYS  38  12.499  -4.747   1.853
  290    HA   PRO  39           HA       PRO  39  14.811  -4.694   8.413
  291   1HB   PRO  39          1HB       PRO  39  17.465  -3.692   7.156
  292   2HB   PRO  39          2HB       PRO  39  17.179  -4.115   8.809
  293   1HG   PRO  39          1HG       PRO  39  18.360  -5.948   7.405
  294   2HG   PRO  39          2HG       PRO  39  17.028  -6.494   8.267
  295   1HD   PRO  39          1HD       PRO  39  16.876  -5.857   5.181
  296   2HD   PRO  39          2HD       PRO  39  16.245  -7.234   6.187
  297    HA   PRO  40           HA       PRO  40  14.659  -0.223   6.001
  298   1HB   PRO  40          1HB       PRO  40  14.199  -1.276   3.134
  299   2HB   PRO  40          2HB       PRO  40  14.961   0.208   3.677
  300   1HG   PRO  40          1HG       PRO  40  16.541  -1.797   3.019
  301   2HG   PRO  40          2HG       PRO  40  16.893  -0.883   4.393
  302   1HD   PRO  40          1HD       PRO  40  15.449  -3.660   4.311
  303   2HD   PRO  40          2HD       PRO  40  16.883  -3.219   5.141
  304    H    CYS  41           H        CYS  41  12.499  -2.641   4.447
  305    HA   CYS  41           HA       CYS  41  10.266  -1.292   5.658
  306   1HB   CYS  41          1HB       CYS  41  10.186  -4.180   4.603
  307   2HB   CYS  41          2HB       CYS  41   8.728  -3.159   5.116
  308    HG   CYS  41           HG       CYS  41  10.321  -3.418   2.430
  309    H    LYS  42           H        LYS  42  12.178  -3.753   7.537
  310    HA   LYS  42           HA       LYS  42  10.393  -3.939   9.712
  311   1HB   LYS  42          1HB       LYS  42  12.792  -5.115   9.276
  312   2HB   LYS  42          2HB       LYS  42  13.481  -3.628   9.876
  313   1HG   LYS  42          1HG       LYS  42  12.329  -3.971  12.150
  314   2HG   LYS  42          2HG       LYS  42  11.552  -5.414  11.396
  315   1HD   LYS  42          1HD       LYS  42  13.776  -6.583  11.215
  316   2HD   LYS  42          2HD       LYS  42  14.566  -5.206  12.012
  317   1HE   LYS  42          1HE       LYS  42  13.133  -5.533  14.065
  318   2HE   LYS  42          2HE       LYS  42  12.447  -6.943  13.254
  319   1HZ   LYS  42          1HZ       LYS  42  14.344  -8.159  13.310
  320   2HZ   LYS  42          2HZ       LYS  42  15.343  -6.913  13.508
  321    H    MET  43           H        MET  43  12.637  -1.229   9.369
  322    HA   MET  43           HA       MET  43  10.874   0.502  11.138
  323   1HB   MET  43          1HB       MET  43  12.276   2.411  10.648
  324   2HB   MET  43          2HB       MET  43  13.291   1.181  11.011
  325   1HG   MET  43          1HG       MET  43  13.962   0.905   8.512
  326   2HG   MET  43          2HG       MET  43  12.497   1.856   8.080
  327   1HE   MET  43          1HE       MET  43  15.039   4.529   7.170
  328   2HE   MET  43          2HE       MET  43  14.487   3.011   6.538
  329   3HE   MET  43          3HE       MET  43  13.390   4.308   7.122
  330    H    ILE  44           H        ILE  44  10.782   0.330   7.660
  331    HA   ILE  44           HA       ILE  44   8.791   2.421   7.425
  332    HB   ILE  44           HB       ILE  44  10.285   1.296   5.563
  333   1HG1  ILE  44          1HG1      ILE  44   8.957   2.694   3.893
  334   2HG1  ILE  44          2HG1      ILE  44   7.685   2.958   5.038
  335   1HG2  ILE  44          1HG2      ILE  44   7.697   0.490   4.158
  336   2HG2  ILE  44          2HG2      ILE  44   9.312  -0.128   4.041
  337   3HG2  ILE  44          3HG2      ILE  44   8.170  -0.607   5.329
  338   1HD1  ILE  44          1HD1      ILE  44  10.531   3.499   5.382
  339   2HD1  ILE  44          2HD1      ILE  44   9.454   4.827   4.794
  340   3HD1  ILE  44          3HD1      ILE  44   9.228   4.214   6.406
  341    H    ALA  45           H        ALA  45   7.847  -0.871   8.062
  342    HA   ALA  45           HA       ALA  45   5.032  -0.488   8.136
  343   1HB   ALA  45          1HB       ALA  45   6.765  -2.519   9.689
  344   2HB   ALA  45          2HB       ALA  45   5.006  -2.201   9.852
  345   3HB   ALA  45          3HB       ALA  45   5.666  -2.706   8.337
  346    HA   PRO  46           HA       PRO  46   5.171   1.694  12.579
  347   1HB   PRO  46          1HB       PRO  46   8.211   2.485  12.345
  348   2HB   PRO  46          2HB       PRO  46   7.233   2.419  13.877
  349   1HG   PRO  46          1HG       PRO  46   8.814   0.269  13.214
  350   2HG   PRO  46          2HG       PRO  46   7.216  -0.006  13.879
  351   1HD   PRO  46          1HD       PRO  46   8.239  -0.378  11.047
  352   2HD   PRO  46          2HD       PRO  46   6.985  -1.259  11.883
  353    H    ILE  47           H        ILE  47   7.289   2.981   9.986
  354    HA   ILE  47           HA       ILE  47   6.259   5.825  10.038
  355    HB   ILE  47           HB       ILE  47   7.654   4.421   7.712
  356   1HG1  ILE  47          1HG1      ILE  47   9.303   4.464   9.476
  357   2HG1  ILE  47          2HG1      ILE  47   9.736   5.683   8.269
  358   1HG2  ILE  47          1HG2      ILE  47   6.356   6.347   6.910
  359   2HG2  ILE  47          2HG2      ILE  47   7.421   7.470   7.927
  360   3HG2  ILE  47          3HG2      ILE  47   8.086   6.619   6.681
  361   1HD1  ILE  47          1HD1      ILE  47   8.648   7.567   9.667
  362   2HD1  ILE  47          2HD1      ILE  47   8.348   6.460  10.990
  363   3HD1  ILE  47          3HD1      ILE  47  10.020   6.855  10.567
  364    H    PHE  48           H        PHE  48   5.365   3.055   8.089
  365    HA   PHE  48           HA       PHE  48   3.151   4.338   6.684
  366   1HB   PHE  48          1HB       PHE  48   4.469   2.161   6.101
  367   2HB   PHE  48          2HB       PHE  48   3.561   1.417   7.319
  368    HD1  PHE  48           1HD      PHE  48   2.411  -0.294   6.056
  369    HD2  PHE  48           2HD      PHE  48   2.535   3.731   4.523
  370    HE1  PHE  48           1HE      PHE  48   1.256  -0.995   4.119
  371    HE2  PHE  48           2HE      PHE  48   1.438   3.011   2.535
  372    HZ   PHE  48           HZ       PHE  48   0.786   0.547   2.271
  373    H    ALA  49           H        ALA  49   3.208   2.519   9.794
  374    HA   ALA  49           HA       ALA  49   0.402   2.961  10.554
  375   1HB   ALA  49          1HB       ALA  49   1.393   1.232  11.644
  376   2HB   ALA  49          2HB       ALA  49   2.707   2.286  12.329
  377   3HB   ALA  49          3HB       ALA  49   1.048   2.475  12.763
  378    H    GLU  50           H        GLU  50   3.333   5.141  11.390
  379    HA   GLU  50           HA       GLU  50   1.570   7.128  12.798
  380   1HB   GLU  50          1HB       GLU  50   4.165   6.679  13.026
  381   2HB   GLU  50          2HB       GLU  50   4.238   7.511  11.473
  382   1HG   GLU  50          1HG       GLU  50   2.847   9.455  12.717
  383   2HG   GLU  50          2HG       GLU  50   3.007   8.556  14.131
  384    HE2  GLU  50           HE       GLU  50   5.936   9.806  15.059
  385    H    LEU  51           H        LEU  51   2.493   6.847   9.618
  386    HA   LEU  51           HA       LEU  51   1.173   9.149   8.387
  387   1HB   LEU  51          1HB       LEU  51   3.033   7.812   7.553
  388   2HB   LEU  51          2HB       LEU  51   2.082   6.385   7.412
  389    HG   LEU  51           HG       LEU  51   2.529   7.726   5.176
  390   1HD1  LEU  51          1HD1      LEU  51   0.348   7.062   4.242
  391   2HD1  LEU  51          2HD1      LEU  51   1.237   5.826   5.099
  392   3HD1  LEU  51          3HD1      LEU  51  -0.078   6.573   5.966
  393   1HD2  LEU  51          1HD2      LEU  51   1.696   9.999   6.055
  394   2HD2  LEU  51          2HD2      LEU  51   0.754   9.431   4.635
  395   3HD2  LEU  51          3HD2      LEU  51   0.130   9.342   6.148
  396    H    ALA  52           H        ALA  52  -0.007   5.845   8.916
  397    HA   ALA  52           HA       ALA  52  -2.658   6.123   7.727
  398   1HB   ALA  52          1HB       ALA  52  -1.721   3.891   7.956
  399   2HB   ALA  52          2HB       ALA  52  -1.716   4.046   9.730
  400   3HB   ALA  52          3HB       ALA  52  -3.269   3.992   8.825
  401    H    LYS  53           H        LYS  53  -1.452   6.402  10.793
  402    HA   LYS  53           HA       LYS  53  -3.908   7.041  12.433
  403   1HB   LYS  53          1HB       LYS  53  -0.847   7.388  12.821
  404   2HB   LYS  53          2HB       LYS  53  -1.995   7.880  14.128
  405   1HG   LYS  53          1HG       LYS  53  -2.755   5.677  14.509
  406   2HG   LYS  53          2HG       LYS  53  -1.926   4.963  13.126
  407   1HD   LYS  53          1HD       LYS  53   0.351   5.896  14.342
  408   2HD   LYS  53          2HD       LYS  53  -0.737   6.065  15.751
  409   1HE   LYS  53          1HE       LYS  53  -1.497   3.725  15.715
  410   2HE   LYS  53          2HE       LYS  53  -0.684   3.316  14.270
  411   1HZ   LYS  53          1HZ       LYS  53   1.250   3.129  15.331
  412   2HZ   LYS  53          2HZ       LYS  53   1.062   4.509  16.002
  413    H    LYS  54           H        LYS  54  -1.701   9.037  10.428
  414    HA   LYS  54           HA       LYS  54  -2.755  11.762  11.183
  415   1HB   LYS  54          1HB       LYS  54  -0.340  11.148  10.787
  416   2HB   LYS  54          2HB       LYS  54  -0.664  10.632   9.160
  417   1HG   LYS  54          1HG       LYS  54  -1.396  13.152   8.789
  418   2HG   LYS  54          2HG       LYS  54  -0.918  13.352  10.520
  419   1HD   LYS  54          1HD       LYS  54   1.064  12.222   8.384
  420   2HD   LYS  54          2HD       LYS  54   0.759  14.032   8.594
  421   1HE   LYS  54          1HE       LYS  54   1.488  13.703  11.054
  422   2HE   LYS  54          2HE       LYS  54   1.829  11.940  10.628
  423   1HZ   LYS  54          1HZ       LYS  54   3.707  13.331  10.580
  424   2HZ   LYS  54          2HZ       LYS  54   3.415  12.720   9.011
  425    H    PHE  55           H        PHE  55  -3.477   9.444   8.737
  426    HA   PHE  55           HA       PHE  55  -5.128  11.274   7.146
  427   1HB   PHE  55          1HB       PHE  55  -3.089   9.031   6.644
  428   2HB   PHE  55          2HB       PHE  55  -4.189   9.297   5.492
  429    HD1  PHE  55           1HD      PHE  55  -1.382  11.001   7.044
  430    HD2  PHE  55           2HD      PHE  55  -4.413  11.498   4.011
  431    HE1  PHE  55           1HE      PHE  55  -0.174  12.918   6.126
  432    HE2  PHE  55           2HE      PHE  55  -3.030  13.501   3.089
  433    HZ   PHE  55           HZ       PHE  55  -1.028  14.130   4.227
  434    HA   PRO  56           HA       PRO  56  -8.543   8.119   8.068
  435   1HB   PRO  56          1HB       PRO  56 -10.723   9.818   8.262
  436   2HB   PRO  56          2HB       PRO  56  -9.439   9.628   9.495
  437   1HG   PRO  56          1HG       PRO  56  -9.468  11.921   7.483
  438   2HG   PRO  56          2HG       PRO  56  -9.092  11.960   9.184
  439   1HD   PRO  56          1HD       PRO  56  -7.202  11.831   7.186
  440   2HD   PRO  56          2HD       PRO  56  -6.988  11.371   8.854
  441    H    ASN  57           H        ASN  57  -8.249   9.617   5.126
  442    HA   ASN  57           HA       ASN  57 -10.883   8.845   3.963
  443   1HB   ASN  57          1HB       ASN  57  -9.975  10.064   1.903
  444   2HB   ASN  57          2HB       ASN  57 -10.073  11.139   3.302
  445   1HD2  ASN  57          2HD2      ASN  57  -7.710  11.507   4.430
  446   2HD2  ASN  57          1HD2      ASN  57  -6.492  11.796   3.068
  447    H    VAL  58           H        VAL  58  -8.083   7.504   4.601
  448    HA   VAL  58           HA       VAL  58  -7.725   5.865   2.109
  449    HB   VAL  58           HB       VAL  58  -6.577   7.951   2.038
  450   1HG1  VAL  58          1HG1      VAL  58  -5.169   7.328   4.667
  451   2HG1  VAL  58          2HG1      VAL  58  -4.656   8.649   3.592
  452   3HG1  VAL  58          3HG1      VAL  58  -6.263   8.781   4.270
  453   1HG2  VAL  58          1HG2      VAL  58  -5.380   6.055   1.003
  454   2HG2  VAL  58          2HG2      VAL  58  -4.351   7.342   1.649
  455   3HG2  VAL  58          3HG2      VAL  58  -4.449   5.879   2.571
  456    H    THR  59           H        THR  59  -8.120   3.963   2.428
  457    HA   THR  59           HA       THR  59  -7.215   2.272   4.659
  458    HB   THR  59           HB       THR  59  -8.147   1.698   1.952
  459    HG1  THR  59           1HG      THR  59  -9.390   2.491   3.708
  460   1HG2  THR  59          1HG2      THR  59  -7.556  -0.530   4.096
  461   2HG2  THR  59          2HG2      THR  59  -8.543  -0.874   2.629
  462   3HG2  THR  59          3HG2      THR  59  -6.858  -0.354   2.312
  463    H    PHE  60           H        PHE  60  -5.573   0.838   4.760
  464    HA   PHE  60           HA       PHE  60  -3.344   0.983   2.779
  465   1HB   PHE  60          1HB       PHE  60  -3.026   1.351   5.939
  466   2HB   PHE  60          2HB       PHE  60  -1.543   1.133   4.865
  467    HD1  PHE  60           1HD      PHE  60  -1.047   2.970   3.323
  468    HD2  PHE  60           2HD      PHE  60  -4.224   3.581   6.213
  469    HE1  PHE  60           1HE      PHE  60  -0.845   5.288   3.016
  470    HE2  PHE  60           2HE      PHE  60  -3.955   6.003   5.891
  471    HZ   PHE  60           HZ       PHE  60  -2.416   6.881   4.161
  472    H    LEU  61           H        LEU  61  -2.238  -0.819   2.637
  473    HA   LEU  61           HA       LEU  61  -2.568  -3.128   4.389
  474   1HB   LEU  61          1HB       LEU  61  -4.107  -4.499   2.934
  475   2HB   LEU  61          2HB       LEU  61  -4.702  -2.943   2.944
  476    HG   LEU  61           HG       LEU  61  -3.179  -2.605   0.699
  477   1HD1  LEU  61          1HD1      LEU  61  -3.571  -5.662   0.795
  478   2HD1  LEU  61          2HD1      LEU  61  -3.183  -4.707  -0.652
  479   3HD1  LEU  61          3HD1      LEU  61  -2.009  -4.739   0.734
  480   1HD2  LEU  61          1HD2      LEU  61  -5.959  -2.782   0.956
  481   2HD2  LEU  61          2HD2      LEU  61  -5.297  -3.258  -0.552
  482   3HD2  LEU  61          3HD2      LEU  61  -5.771  -4.541   0.525
  483    H    LYS  62           H        LYS  62  -1.418  -5.168   3.444
  484    HA   LYS  62           HA       LYS  62   0.888  -4.360   1.851
  485   1HB   LYS  62          1HB       LYS  62   2.603  -4.831   3.573
  486   2HB   LYS  62          2HB       LYS  62   1.774  -3.333   3.769
  487   1HG   LYS  62          1HG       LYS  62   0.374  -4.206   5.649
  488   2HG   LYS  62          2HG       LYS  62   1.010  -5.808   5.388
  489   1HD   LYS  62          1HD       LYS  62   2.682  -3.466   6.319
  490   2HD   LYS  62          2HD       LYS  62   1.975  -4.742   7.332
  491   1HE   LYS  62          1HE       LYS  62   4.227  -4.997   5.186
  492   2HE   LYS  62          2HE       LYS  62   4.432  -4.653   6.957
  493   1HZ   LYS  62          1HZ       LYS  62   3.277  -6.829   7.380
  494   2HZ   LYS  62          2HZ       LYS  62   4.765  -6.893   6.955
  495    H    VAL  63           H        VAL  63   1.747  -5.907   0.829
  496    HA   VAL  63           HA       VAL  63   1.014  -8.741   1.236
  497    HB   VAL  63           HB       VAL  63   2.079  -7.017  -1.008
  498   1HG1  VAL  63          1HG1      VAL  63   2.081 -10.028  -1.079
  499   2HG1  VAL  63          2HG1      VAL  63   2.125  -8.961  -2.597
  500   3HG1  VAL  63          3HG1      VAL  63   3.410  -8.922  -1.354
  501   1HG2  VAL  63          1HG2      VAL  63  -0.435  -8.746  -0.926
  502   2HG2  VAL  63          2HG2      VAL  63  -0.410  -7.044  -0.961
  503   3HG2  VAL  63          3HG2      VAL  63   0.029  -7.930  -2.357
  504    H    ASP  64           H        ASP  64   2.275 -10.046   2.172
  505    HA   ASP  64           HA       ASP  64   5.285  -9.931   2.131
  506   1HB   ASP  64          1HB       ASP  64   4.091 -11.311   3.876
  507   2HB   ASP  64          2HB       ASP  64   3.566 -12.454   2.723
  508    HD2  ASP  64           HD       ASP  64   6.856 -13.924   2.893
  509    H    VAL  65           H        VAL  65   6.066 -10.081   0.191
  510    HA   VAL  65           HA       VAL  65   4.837 -10.960  -2.202
  511    HB   VAL  65           HB       VAL  65   6.464  -8.986  -1.758
  512   1HG1  VAL  65          1HG1      VAL  65   8.629 -10.503  -1.383
  513   2HG1  VAL  65          2HG1      VAL  65   8.358 -11.062  -3.031
  514   3HG1  VAL  65          3HG1      VAL  65   8.819  -9.397  -2.631
  515   1HG2  VAL  65          1HG2      VAL  65   6.167  -8.419  -4.094
  516   2HG2  VAL  65          2HG2      VAL  65   6.806 -10.017  -4.515
  517   3HG2  VAL  65          3HG2      VAL  65   5.136  -9.846  -4.025
  518    H    ASP  66           H        ASP  66   7.377 -12.609  -0.363
  519    HA   ASP  66           HA       ASP  66   7.919 -14.765  -2.073
  520   1HB   ASP  66          1HB       ASP  66   7.691 -15.096   1.022
  521   2HB   ASP  66          2HB       ASP  66   8.583 -16.213   0.077
  522    HD2  ASP  66           HD       ASP  66  10.058 -12.603   1.030
  523    H    GLU  67           H        GLU  67   5.115 -14.558   0.127
  524    HA   GLU  67           HA       GLU  67   3.709 -16.933  -0.797
  525   1HB   GLU  67          1HB       GLU  67   2.791 -14.219   0.405
  526   2HB   GLU  67          2HB       GLU  67   1.760 -15.696   0.086
  527   1HG   GLU  67          1HG       GLU  67   3.325 -16.861   1.805
  528   2HG   GLU  67          2HG       GLU  67   4.148 -15.327   2.125
  529    HE2  GLU  67           HE       GLU  67   0.372 -16.398   3.322
  530    H    LEU  68           H        LEU  68   3.678 -13.671  -2.376
  531    HA   LEU  68           HA       LEU  68   1.624 -14.463  -4.444
  532   1HB   LEU  68          1HB       LEU  68   1.818 -12.259  -2.262
  533   2HB   LEU  68          2HB       LEU  68   0.768 -11.970  -3.666
  534    HG   LEU  68           HG       LEU  68   0.373 -14.105  -1.631
  535   1HD1  LEU  68          1HD1      LEU  68  -0.629 -12.018  -0.649
  536   2HD1  LEU  68          2HD1      LEU  68  -1.112 -11.430  -2.281
  537   3HD1  LEU  68          3HD1      LEU  68  -1.828 -12.711  -1.393
  538   1HD2  LEU  68          1HD2      LEU  68  -1.980 -14.521  -3.049
  539   2HD2  LEU  68          2HD2      LEU  68  -1.149 -13.512  -4.238
  540   3HD2  LEU  68          3HD2      LEU  68  -0.493 -15.006  -3.931
  541    H    LYS  69           H        LYS  69   4.116 -14.286  -5.180
  542    HA   LYS  69           HA       LYS  69   5.068 -11.712  -6.013
  543   1HB   LYS  69          1HB       LYS  69   6.789 -12.828  -7.433
  544   2HB   LYS  69          2HB       LYS  69   6.908 -12.809  -5.667
  545   1HG   LYS  69          1HG       LYS  69   6.155 -15.288  -5.669
  546   2HG   LYS  69          2HG       LYS  69   5.789 -15.217  -7.311
  547   1HD   LYS  69          1HD       LYS  69   7.828 -16.478  -7.213
  548   2HD   LYS  69          2HD       LYS  69   8.442 -14.833  -7.480
  549   1HE   LYS  69          1HE       LYS  69   8.764 -14.507  -5.005
  550   2HE   LYS  69          2HE       LYS  69   8.001 -16.087  -4.821
  551   1HZ   LYS  69          1HZ       LYS  69  10.814 -15.609  -5.532
  552   2HZ   LYS  69          2HZ       LYS  69   9.999 -16.872  -4.740
  553    H    ALA  70           H        ALA  70   3.140 -14.192  -7.588
  554    HA   ALA  70           HA       ALA  70   3.321 -13.463 -10.306
  555   1HB   ALA  70          1HB       ALA  70   1.087 -14.756 -10.453
  556   2HB   ALA  70          2HB       ALA  70   2.348 -15.494  -9.544
  557   3HB   ALA  70          3HB       ALA  70   0.976 -14.712  -8.690
  558    H    VAL  71           H        VAL  71   0.395 -12.883  -8.664
  559    HA   VAL  71           HA       VAL  71  -0.305 -10.386  -9.911
  560    HB   VAL  71           HB       VAL  71  -1.830 -11.849  -8.591
  561   1HG1  VAL  71          1HG1      VAL  71  -2.013 -11.709  -6.223
  562   2HG1  VAL  71          2HG1      VAL  71  -0.416 -12.214  -6.484
  563   3HG1  VAL  71          3HG1      VAL  71  -0.764 -10.451  -6.101
  564   1HG2  VAL  71          1HG2      VAL  71  -1.820  -8.852  -8.466
  565   2HG2  VAL  71          2HG2      VAL  71  -2.872  -9.741  -9.250
  566   3HG2  VAL  71          3HG2      VAL  71  -2.913  -9.580  -7.388
  567    H    ALA  72           H        ALA  72   1.801 -10.386  -7.064
  568    HA   ALA  72           HA       ALA  72   1.702  -7.359  -6.688
  569   1HB   ALA  72          1HB       ALA  72   4.290  -9.236  -6.354
  570   2HB   ALA  72          2HB       ALA  72   4.095  -7.695  -5.745
  571   3HB   ALA  72          3HB       ALA  72   3.046  -8.955  -4.978
  572    H    GLU  73           H        GLU  73   3.424  -9.360  -8.769
  573    HA   GLU  73           HA       GLU  73   4.918  -7.204 -10.094
  574   1HB   GLU  73          1HB       GLU  73   5.829  -9.361 -10.090
  575   2HB   GLU  73          2HB       GLU  73   4.600 -10.147 -10.887
  576   1HG   GLU  73          1HG       GLU  73   5.097  -8.680 -12.926
  577   2HG   GLU  73          2HG       GLU  73   6.440  -8.185 -12.015
  578    HE2  GLU  73           HE       GLU  73   7.613  -9.887 -11.006
  579    H    GLU  74           H        GLU  74   1.961  -8.937 -10.881
  580    HA   GLU  74           HA       GLU  74   1.291  -7.545 -13.387
  581   1HB   GLU  74          1HB       GLU  74  -0.095  -9.130 -13.448
  582   2HB   GLU  74          2HB       GLU  74   0.482  -9.724 -11.991
  583   1HG   GLU  74          1HG       GLU  74  -1.669  -9.535 -11.274
  584   2HG   GLU  74          2HG       GLU  74  -1.090  -8.116 -10.651
  585    HE2  GLU  74           HE       GLU  74  -2.196  -6.529 -10.973
  586    H    TRP  75           H        TRP  75   0.500  -6.350  -9.879
  587    HA   TRP  75           HA       TRP  75  -1.060  -3.941 -10.845
  588   1HB   TRP  75          1HB       TRP  75   0.428  -3.921  -8.380
  589   2HB   TRP  75          2HB       TRP  75  -1.055  -2.967  -9.062
  590    HD1  TRP  75           HD       TRP  75  -0.017  -6.117  -7.080
  591    HE1  TRP  75           1HE      TRP  75  -2.280  -7.469  -6.196
  592    HE3  TRP  75           3HE      TRP  75  -3.411  -3.848 -10.015
  593    HZ2  TRP  75           2HZ      TRP  75  -4.719  -7.531  -7.009
  594    HZ3  TRP  75           3HZ      TRP  75  -5.841  -4.753  -9.891
  595    HH2  TRP  75           HH       TRP  75  -6.450  -6.684  -8.695
  596    H    ASN  76           H        ASN  76   2.273  -4.575  -9.635
  597    HA   ASN  76           HA       ASN  76   3.976  -4.270 -11.746
  598   1HB   ASN  76          1HB       ASN  76   2.804  -2.356 -12.724
  599   2HB   ASN  76          2HB       ASN  76   3.310  -1.274 -11.407
  600   1HD2  ASN  76          1HD2      ASN  76   5.375  -3.816 -13.263
  601   2HD2  ASN  76          2HD2      ASN  76   6.415  -2.474 -13.896
  602    H    VAL  77           H        VAL  77   4.832  -5.396 -10.006
  603    HA   VAL  77           HA       VAL  77   6.877  -3.839  -8.341
  604    HB   VAL  77           HB       VAL  77   5.428  -6.282  -7.557
  605   1HG1  VAL  77          1HG1      VAL  77   7.397  -4.526  -5.732
  606   2HG1  VAL  77          2HG1      VAL  77   6.553  -6.099  -5.355
  607   3HG1  VAL  77          3HG1      VAL  77   7.777  -6.125  -6.593
  608   1HG2  VAL  77          1HG2      VAL  77   5.143  -3.761  -6.261
  609   2HG2  VAL  77          2HG2      VAL  77   3.900  -4.594  -7.351
  610   3HG2  VAL  77          3HG2      VAL  77   4.463  -5.384  -5.741
  611    H    GLU  78           H        GLU  78   8.306  -3.974 -10.010
  612    HA   GLU  78           HA       GLU  78   9.827  -6.286 -10.579
  613   1HB   GLU  78          1HB       GLU  78  11.316  -4.897 -11.931
  614   2HB   GLU  78          2HB       GLU  78   9.667  -4.807 -12.473
  615   1HG   GLU  78          1HG       GLU  78  11.464  -2.765 -10.882
  616   2HG   GLU  78          2HG       GLU  78  10.750  -2.509 -12.464
  617    HE2  GLU  78           HE       GLU  78  10.461  -1.785  -9.458
  618    H    ALA  79           H        ALA  79   9.818  -4.558  -7.779
  619    HA   ALA  79           HA       ALA  79  12.715  -4.796  -6.896
  620   1HB   ALA  79          1HB       ALA  79  13.129  -2.745  -8.338
  621   2HB   ALA  79          2HB       ALA  79  11.911  -1.841  -7.198
  622   3HB   ALA  79          3HB       ALA  79  13.431  -2.635  -6.688
  623    H    MET  80           H        MET  80  12.847  -4.865  -5.033
  624    HA   MET  80           HA       MET  80  10.950  -4.180  -2.936
  625   1HB   MET  80          1HB       MET  80  13.678  -5.617  -2.812
  626   2HB   MET  80          2HB       MET  80  12.888  -4.883  -1.419
  627   1HG   MET  80          1HG       MET  80  11.606  -6.904  -3.593
  628   2HG   MET  80          2HG       MET  80  12.216  -7.600  -2.053
  629   1HE   MET  80          1HE       MET  80   8.077  -6.510  -2.799
  630   2HE   MET  80          2HE       MET  80   8.924  -5.316  -3.494
  631   3HE   MET  80          3HE       MET  80   9.099  -7.116  -3.938
  632    HA   PRO  81           HA       PRO  81   9.698  -2.854  -2.673
  633   1HB   PRO  81          1HB       PRO  81   9.368  -2.320  -0.046
  634   2HB   PRO  81          2HB       PRO  81  10.500  -3.405  -0.661
  635   1HG   PRO  81          1HG       PRO  81  11.303  -0.629   0.616
  636   2HG   PRO  81          2HG       PRO  81  12.317  -2.220   0.082
  637   1HD   PRO  81          1HD       PRO  81  11.660   0.377  -1.589
  638   2HD   PRO  81          2HD       PRO  81  13.203  -0.785  -1.380
  639    H    THR  82           H        THR  82   8.103  -2.407  -2.697
  640    HA   THR  82           HA       THR  82   7.515   0.275  -3.967
  641    HB   THR  82           HB       THR  82   6.310  -2.280  -5.035
  642    HG1  THR  82           1HG      THR  82   8.836  -1.952  -5.274
  643   1HG2  THR  82          1HG2      THR  82   5.211  -0.134  -5.765
  644   2HG2  THR  82          2HG2      THR  82   6.690   0.338  -6.490
  645   3HG2  THR  82          3HG2      THR  82   5.828  -1.077  -7.075
  646    H    PHE  83           H        PHE  83   6.009   1.278  -3.675
  647    HA   PHE  83           HA       PHE  83   3.666   0.614  -1.977
  648   1HB   PHE  83          1HB       PHE  83   4.790   3.346  -2.649
  649   2HB   PHE  83          2HB       PHE  83   3.597   2.897  -1.540
  650    HD1  PHE  83           1HD      PHE  83   7.275   2.500  -1.809
  651    HD2  PHE  83           2HD      PHE  83   3.758   2.389   0.740
  652    HE1  PHE  83           1HE      PHE  83   8.708   2.752   0.330
  653    HE2  PHE  83           2HE      PHE  83   5.189   2.029   2.582
  654    HZ   PHE  83           HZ       PHE  83   7.475   2.128   2.552
  655    H    ILE  84           H        ILE  84   1.959   0.374  -3.482
  656    HA   ILE  84           HA       ILE  84   1.737   2.137  -5.848
  657    HB   ILE  84           HB       ILE  84   1.338  -0.778  -5.057
  658   1HG1  ILE  84          1HG1      ILE  84   1.759   0.033  -7.874
  659   2HG1  ILE  84          2HG1      ILE  84   3.027   0.542  -6.708
  660   1HG2  ILE  84          1HG2      ILE  84  -1.183  -0.133  -5.808
  661   2HG2  ILE  84          2HG2      ILE  84  -0.388  -0.060  -7.470
  662   3HG2  ILE  84          3HG2      ILE  84  -0.495  -1.494  -6.667
  663   1HD1  ILE  84          1HD1      ILE  84   3.422  -1.596  -5.959
  664   2HD1  ILE  84          2HD1      ILE  84   2.211  -2.483  -7.090
  665   3HD1  ILE  84          3HD1      ILE  84   3.582  -1.702  -7.595
  666    H    PHE  85           H        PHE  85  -0.300   2.748  -6.516
  667    HA   PHE  85           HA       PHE  85  -1.980   3.903  -4.274
  668   1HB   PHE  85          1HB       PHE  85  -0.544   5.263  -6.575
  669   2HB   PHE  85          2HB       PHE  85  -1.659   6.147  -5.583
  670    HD1  PHE  85           1HD      PHE  85   1.975   4.829  -5.417
  671    HD2  PHE  85           2HD      PHE  85  -1.293   6.803  -3.393
  672    HE1  PHE  85           1HE      PHE  85   3.248   5.116  -3.498
  673    HE2  PHE  85           2HE      PHE  85   0.391   7.555  -1.685
  674    HZ   PHE  85           HZ       PHE  85   2.512   6.570  -1.605
  675    H    LEU  86           H        LEU  86  -3.991   2.934  -4.692
  676    HA   LEU  86           HA       LEU  86  -5.260   2.899  -7.401
  677   1HB   LEU  86          1HB       LEU  86  -4.109   0.836  -6.228
  678   2HB   LEU  86          2HB       LEU  86  -5.609   0.938  -5.205
  679    HG   LEU  86           HG       LEU  86  -6.103  -0.815  -6.507
  680   1HD1  LEU  86          1HD1      LEU  86  -8.003   0.961  -6.588
  681   2HD1  LEU  86          2HD1      LEU  86  -7.456   1.294  -8.288
  682   3HD1  LEU  86          3HD1      LEU  86  -8.165  -0.363  -7.783
  683   1HD2  LEU  86          1HD2      LEU  86  -4.275  -0.863  -8.138
  684   2HD2  LEU  86          2HD2      LEU  86  -5.947  -1.059  -9.030
  685   3HD2  LEU  86          3HD2      LEU  86  -5.267   0.525  -9.050
  686    H    LYS  87           H        LYS  87  -6.880   4.199  -7.252
  687    HA   LYS  87           HA       LYS  87  -8.532   4.862  -4.784
  688   1HB   LYS  87          1HB       LYS  87  -7.126   6.522  -5.882
  689   2HB   LYS  87          2HB       LYS  87  -7.987   6.357  -7.390
  690   1HG   LYS  87          1HG       LYS  87  -9.947   7.212  -6.558
  691   2HG   LYS  87          2HG       LYS  87  -9.528   7.138  -4.903
  692   1HD   LYS  87          1HD       LYS  87  -7.517   8.833  -5.663
  693   2HD   LYS  87          2HD       LYS  87  -8.413   8.873  -7.241
  694   1HE   LYS  87          1HE       LYS  87 -10.435   9.786  -6.120
  695   2HE   LYS  87          2HE       LYS  87  -9.555   9.618  -4.464
  696   1HZ   LYS  87          1HZ       LYS  87  -7.996  11.228  -5.146
  697   2HZ   LYS  87          2HZ       LYS  87  -8.339  11.008  -6.666
  698    H    ASP  88           H        ASP  88 -10.935   4.886  -5.181
  699    HA   ASP  88           HA       ASP  88 -12.180   3.301  -7.389
  700   1HB   ASP  88          1HB       ASP  88 -14.209   4.090  -6.540
  701   2HB   ASP  88          2HB       ASP  88 -13.142   3.874  -5.154
  702    HD2  ASP  88           HD       ASP  88 -12.727   7.431  -4.790
  703    H    GLY  89           H        GLY  89 -10.663   4.164  -8.807
  704   1HA   GLY  89          1HA       GLY  89 -12.025   4.810 -11.197
  705   2HA   GLY  89          2HA       GLY  89 -11.243   6.401 -10.625
  706    H    LYS  90           H        LYS  90  -9.981   3.055 -10.291
  707    HA   LYS  90           HA       LYS  90  -8.451   1.640 -11.146
  708   1HB   LYS  90          1HB       LYS  90  -8.169   3.730 -13.366
  709   2HB   LYS  90          2HB       LYS  90  -7.395   2.198 -13.453
  710   1HG   LYS  90          1HG       LYS  90  -9.357   0.863 -13.529
  711   2HG   LYS  90          2HG       LYS  90 -10.402   2.234 -13.306
  712   1HD   LYS  90          1HD       LYS  90  -8.372   1.890 -15.510
  713   2HD   LYS  90          2HD       LYS  90 -10.045   1.277 -15.684
  714   1HE   LYS  90          1HE       LYS  90 -10.871   3.616 -15.412
  715   2HE   LYS  90          2HE       LYS  90  -9.240   4.250 -15.350
  716   1HZ   LYS  90          1HZ       LYS  90  -9.060   3.277 -17.645
  717   2HZ   LYS  90          2HZ       LYS  90 -10.117   4.415 -17.509
  718    H    LEU  91           H        LEU  91  -6.035   1.569 -11.955
  719    HA   LEU  91           HA       LEU  91  -4.393   2.483  -9.781
  720   1HB   LEU  91          1HB       LEU  91  -4.038   0.442 -10.877
  721   2HB   LEU  91          2HB       LEU  91  -3.771   1.134 -12.397
  722    HG   LEU  91           HG       LEU  91  -1.543   2.076 -11.705
  723   1HD1  LEU  91          1HD1      LEU  91  -0.564   1.147  -9.645
  724   2HD1  LEU  91          2HD1      LEU  91  -1.759   2.411  -9.342
  725   3HD1  LEU  91          3HD1      LEU  91  -2.056   0.742  -8.903
  726   1HD2  LEU  91          1HD2      LEU  91  -0.414  -0.213 -11.843
  727   2HD2  LEU  91          2HD2      LEU  91  -1.957  -1.016 -11.284
  728   3HD2  LEU  91          3HD2      LEU  91  -1.873  -0.184 -12.851
  729    H    VAL  92           H        VAL  92  -4.330   4.434  -9.524
  730    HA   VAL  92           HA       VAL  92  -3.722   6.651 -11.348
  731    HB   VAL  92           HB       VAL  92  -3.797   8.128  -9.515
  732   1HG1  VAL  92          1HG1      VAL  92  -6.098   7.765  -8.875
  733   2HG1  VAL  92          2HG1      VAL  92  -5.812   7.666 -10.612
  734   3HG1  VAL  92          3HG1      VAL  92  -6.052   6.201  -9.790
  735   1HG2  VAL  92          1HG2      VAL  92  -4.248   7.494  -7.189
  736   2HG2  VAL  92          2HG2      VAL  92  -4.075   5.832  -7.474
  737   3HG2  VAL  92          3HG2      VAL  92  -2.669   7.066  -7.622
  738    H    ASP  93           H        ASP  93  -1.459   4.845  -9.112
  739    HA   ASP  93           HA       ASP  93   0.947   5.912 -10.370
  740   1HB   ASP  93          1HB       ASP  93  -0.359   7.850  -8.619
  741   2HB   ASP  93          2HB       ASP  93   0.766   7.107  -7.522
  742    HD2  ASP  93           HD       ASP  93   0.358   9.063 -10.414
  743    H    LYS  94           H        LYS  94   3.094   5.755  -9.159
  744    HA   LYS  94           HA       LYS  94   3.139   3.615  -7.097
  745   1HB   LYS  94          1HB       LYS  94   4.205   2.081  -8.410
  746   2HB   LYS  94          2HB       LYS  94   2.585   2.094  -8.867
  747   1HG   LYS  94          1HG       LYS  94   4.872   3.586 -10.559
  748   2HG   LYS  94          2HG       LYS  94   4.486   1.855 -10.645
  749   1HD   LYS  94          1HD       LYS  94   2.760   4.243 -11.527
  750   2HD   LYS  94          2HD       LYS  94   3.688   3.098 -12.494
  751   1HE   LYS  94          1HE       LYS  94   2.118   1.323 -12.256
  752   2HE   LYS  94          2HE       LYS  94   1.594   1.825 -10.700
  753   1HZ   LYS  94          1HZ       LYS  94   1.043   3.995 -12.408
  754   2HZ   LYS  94          2HZ       LYS  94   0.539   2.593 -13.298
  755    H    THR  95           H        THR  95   5.122   3.491  -6.118
  756    HA   THR  95           HA       THR  95   7.513   5.024  -6.963
  757    HB   THR  95           HB       THR  95   5.807   5.965  -4.857
  758    HG1  THR  95           1HG      THR  95   5.640   7.797  -5.927
  759   1HG2  THR  95          1HG2      THR  95   8.141   6.238  -4.050
  760   2HG2  THR  95          2HG2      THR  95   8.679   6.880  -5.614
  761   3HG2  THR  95          3HG2      THR  95   7.638   7.750  -4.580
  762    H    VAL  96           H        VAL  96   9.130   4.203  -5.985
  763    HA   VAL  96           HA       VAL  96   8.853   2.075  -3.968
  764    HB   VAL  96           HB       VAL  96   8.935   0.964  -6.022
  765   1HG1  VAL  96          1HG1      VAL  96  10.149   0.828  -7.903
  766   2HG1  VAL  96          2HG1      VAL  96   9.225   2.469  -7.710
  767   3HG1  VAL  96          3HG1      VAL  96  11.047   2.459  -7.560
  768   1HG2  VAL  96          1HG2      VAL  96  11.886   0.669  -5.386
  769   2HG2  VAL  96          2HG2      VAL  96  10.543   0.124  -4.308
  770   3HG2  VAL  96          3HG2      VAL  96  10.686  -0.506  -6.003
  771    H    GLY  97           H        GLY  97   9.802   2.812  -2.441
  772   1HA   GLY  97          1HA       GLY  97  12.499   2.963  -1.963
  773   2HA   GLY  97          2HA       GLY  97  12.013   4.756  -2.175
  774    H    ALA  98           H        ALA  98  12.354   2.385   0.129
  775    HA   ALA  98           HA       ALA  98  10.462   3.310   2.207
  776   1HB   ALA  98          1HB       ALA  98  12.750   1.482   2.667
  777   2HB   ALA  98          2HB       ALA  98  11.599   2.045   3.811
  778   3HB   ALA  98          3HB       ALA  98  11.011   1.078   2.367
  779    H    ASP  99           H        ASP  99  10.604   5.488   2.445
  780    HA   ASP  99           HA       ASP  99  13.067   6.701   3.631
  781   1HB   ASP  99          1HB       ASP  99  13.215   6.911   1.025
  782   2HB   ASP  99          2HB       ASP  99  11.591   7.638   1.124
  783    HD2  ASP  99           HD       ASP  99  14.797   9.821   2.236
  784    H    LYS 100           H        LYS 100  12.510   7.246   5.287
  785    HA   LYS 100           HA       LYS 100  10.091   7.347   6.526
  786   1HB   LYS 100          1HB       LYS 100  11.055   8.520   8.492
  787   2HB   LYS 100          2HB       LYS 100  12.130   7.359   7.778
  788   1HG   LYS 100          1HG       LYS 100  12.470  10.453   7.562
  789   2HG   LYS 100          2HG       LYS 100  13.022   9.415   8.756
  790   1HD   LYS 100          1HD       LYS 100  14.411   8.053   7.233
  791   2HD   LYS 100          2HD       LYS 100  13.834   8.992   5.901
  792   1HE   LYS 100          1HE       LYS 100  15.086  11.064   6.801
  793   2HE   LYS 100          2HE       LYS 100  15.458  10.208   8.198
  794   1HZ   LYS 100          1HZ       LYS 100  16.420   9.015   5.669
  795   2HZ   LYS 100          2HZ       LYS 100  17.149  10.298   6.419
  796    H    ASP 101           H        ASP 101  11.355  10.389   5.354
  797    HA   ASP 101           HA       ASP 101   8.951  11.963   5.595
  798   1HB   ASP 101          1HB       ASP 101  10.011  13.825   4.701
  799   2HB   ASP 101          2HB       ASP 101  11.202  13.081   5.846
  800    HD2  ASP 101           HD       ASP 101  13.595  11.823   3.575
  801    H    GLY 102           H        GLY 102  10.433  10.328   3.036
  802   1HA   GLY 102          1HA       GLY 102   9.204  11.232   0.432
  803   2HA   GLY 102          2HA       GLY 102   9.674   9.602   0.868
  804    H    LEU 103           H        LEU 103   8.150   8.363   2.303
  805    HA   LEU 103           HA       LEU 103   5.756   7.915   1.118
  806   1HB   LEU 103          1HB       LEU 103   6.961   6.248   2.326
  807   2HB   LEU 103          2HB       LEU 103   7.030   7.240   3.781
  808    HG   LEU 103           HG       LEU 103   4.620   6.776   4.171
  809   1HD1  LEU 103          1HD1      LEU 103   3.150   5.192   2.987
  810   2HD1  LEU 103          2HD1      LEU 103   3.470   6.564   2.029
  811   3HD1  LEU 103          3HD1      LEU 103   4.302   5.047   1.703
  812   1HD2  LEU 103          1HD2      LEU 103   4.782   4.353   4.765
  813   2HD2  LEU 103          2HD2      LEU 103   5.940   4.089   3.665
  814   3HD2  LEU 103          3HD2      LEU 103   6.334   5.176   4.961
  815    HA   PRO 104           HA       PRO 104   2.972  10.683   4.148
  816   1HB   PRO 104          1HB       PRO 104   5.315  12.544   5.044
  817   2HB   PRO 104          2HB       PRO 104   3.682  12.137   5.857
  818   1HG   PRO 104          1HG       PRO 104   6.036  10.872   6.701
  819   2HG   PRO 104          2HG       PRO 104   4.465   9.944   6.561
  820   1HD   PRO 104          1HD       PRO 104   6.794   9.952   4.625
  821   2HD   PRO 104          2HD       PRO 104   5.731   8.655   5.191
  822    H    THR 105           H        THR 105   5.698  12.035   2.317
  823    HA   THR 105           HA       THR 105   4.613  14.573   1.611
  824    HB   THR 105           HB       THR 105   6.872  13.090   0.335
  825    HG1  THR 105           1HG      THR 105   7.299  13.444   2.400
  826   1HG2  THR 105          1HG2      THR 105   7.602  15.457  -0.378
  827   2HG2  THR 105          2HG2      THR 105   6.151  14.859  -1.273
  828   3HG2  THR 105          3HG2      THR 105   6.181  16.160  -0.080
  829    H    LEU 106           H        LEU 106   5.105  11.750  -0.274
  830    HA   LEU 106           HA       LEU 106   3.559  12.219  -2.463
  831   1HB   LEU 106          1HB       LEU 106   5.255  10.641  -2.553
  832   2HB   LEU 106          2HB       LEU 106   4.744   9.832  -1.154
  833    HG   LEU 106           HG       LEU 106   2.789   8.954  -2.748
  834   1HD1  LEU 106          1HD1      LEU 106   3.309   8.810  -5.148
  835   2HD1  LEU 106          2HD1      LEU 106   2.847  10.571  -4.573
  836   3HD1  LEU 106          3HD1      LEU 106   4.499  10.039  -5.055
  837   1HD2  LEU 106          1HD2      LEU 106   4.288   7.244  -3.647
  838   2HD2  LEU 106          2HD2      LEU 106   5.704   8.443  -3.659
  839   3HD2  LEU 106          3HD2      LEU 106   5.126   7.853  -2.183
  840    H    VAL 107           H        VAL 107   2.477  10.151   0.335
  841    HA   VAL 107           HA       VAL 107  -0.311   9.745  -0.501
  842    HB   VAL 107           HB       VAL 107   0.977   9.811   2.166
  843   1HG1  VAL 107          1HG1      VAL 107  -1.123  10.347   2.969
  844   2HG1  VAL 107          2HG1      VAL 107  -2.074   9.267   1.739
  845   3HG1  VAL 107          3HG1      VAL 107  -1.118   8.649   3.220
  846   1HG2  VAL 107          1HG2      VAL 107   0.141   7.142   1.963
  847   2HG2  VAL 107          2HG2      VAL 107  -0.327   7.615   0.398
  848   3HG2  VAL 107          3HG2      VAL 107   1.509   7.759   0.744
  849    H    ALA 108           H        ALA 108   1.120  12.585   0.854
  850    HA   ALA 108           HA       ALA 108  -1.389  14.062   1.729
  851   1HB   ALA 108          1HB       ALA 108   0.295  15.880   2.085
  852   2HB   ALA 108          2HB       ALA 108   0.848  14.364   2.695
  853   3HB   ALA 108          3HB       ALA 108   1.521  14.951   1.228
  854    H    LYS 109           H        LYS 109   0.725  14.324  -0.916
  855    HA   LYS 109           HA       LYS 109  -0.868  16.011  -2.791
  856   1HB   LYS 109          1HB       LYS 109   1.373  13.902  -3.328
  857   2HB   LYS 109          2HB       LYS 109   0.495  14.726  -4.616
  858   1HG   LYS 109          1HG       LYS 109   1.312  17.007  -3.800
  859   2HG   LYS 109          2HG       LYS 109   2.153  16.186  -2.534
  860   1HD   LYS 109          1HD       LYS 109   3.571  16.817  -4.466
  861   2HD   LYS 109          2HD       LYS 109   3.630  15.104  -4.228
  862   1HE   LYS 109          1HE       LYS 109   2.171  14.735  -6.344
  863   2HE   LYS 109          2HE       LYS 109   1.996  16.532  -6.519
  864   1HZ   LYS 109          1HZ       LYS 109   4.542  16.362  -6.627
  865   2HZ   LYS 109          2HZ       LYS 109   4.421  14.762  -6.648
  866    H    HIS 110           H        HIS 110  -1.098  12.308  -2.207
  867    HA   HIS 110           HA       HIS 110  -2.948  11.810  -4.427
  868   1HB   HIS 110          1HB       HIS 110  -1.582  10.277  -2.239
  869   2HB   HIS 110          2HB       HIS 110  -3.218   9.753  -2.859
  870    HD1  HIS 110           1HD      HIS 110  -3.505   9.440  -5.615
  871    HD2  HIS 110           2HD      HIS 110   0.323  10.007  -3.946
  872    HE1  HIS 110           1HE      HIS 110  -1.782   9.273  -7.467
  873    H    ALA 111           H        ALA 111  -3.219  12.270  -0.970
  874    HA   ALA 111           HA       ALA 111  -6.129  11.863  -0.382
  875   1HB   ALA 111          1HB       ALA 111  -5.579  13.107   1.678
  876   2HB   ALA 111          2HB       ALA 111  -4.617  11.689   1.299
  877   3HB   ALA 111          3HB       ALA 111  -3.980  13.314   1.079
  878    H    THR 112           H        THR 112  -4.253  14.912  -1.023
  879    HA   THR 112           HA       THR 112  -6.474  16.748  -0.980
  880    HB   THR 112           HB       THR 112  -3.522  16.978  -1.903
  881    HG1  THR 112           1HG      THR 112  -3.374  18.103   0.032
  882   1HG2  THR 112          1HG2      THR 112  -4.948  19.027  -2.935
  883   2HG2  THR 112          2HG2      THR 112  -5.376  19.361  -1.331
  884   3HG2  THR 112          3HG2      THR 112  -3.700  19.481  -1.713
  885    H    ALA 113           H        ALA 113  -4.338  15.644  -3.571
  886    HA   ALA 113           HA       ALA 113  -6.095  16.376  -5.850
  887   1HB   ALA 113          1HB       ALA 113  -3.553  14.807  -6.301
  888   2HB   ALA 113          2HB       ALA 113  -4.601  15.766  -7.411
  889   3HB   ALA 113          3HB       ALA 113  -3.680  16.617  -6.091
  890    HXT  ALA 113           HO       ALA 113  -8.258  13.710  -5.436
  Start of MODEL   20
    1   1H    ALA   1          1H        ALA   1 -14.197   6.785  16.584
    2   2H    ALA   1          2H        ALA   1 -14.103   7.936  17.744
    3    HA   ALA   1           HA       ALA   1 -12.421   9.082  16.158
    4   1HB   ALA   1          1HB       ALA   1 -10.473   7.470  17.056
    5   2HB   ALA   1          2HB       ALA   1 -11.504   8.182  18.317
    6   3HB   ALA   1          3HB       ALA   1 -11.716   6.483  17.787
    7    H    GLU   2           H        GLU   2 -11.630   8.897  14.280
    8    HA   GLU   2           HA       GLU   2 -12.043   6.435  12.539
    9   1HB   GLU   2          1HB       GLU   2 -13.809   8.334  12.491
   10   2HB   GLU   2          2HB       GLU   2 -12.723   9.213  11.392
   11   1HG   GLU   2          1HG       GLU   2 -12.674   7.123   9.925
   12   2HG   GLU   2          2HG       GLU   2 -13.932   6.399  10.838
   13    HE2  GLU   2           HE       GLU   2 -15.120   8.411   7.885
   14    H    GLU   3           H        GLU   3 -10.327   5.878  11.615
   15    HA   GLU   3           HA       GLU   3  -8.197   7.779  10.644
   16   1HB   GLU   3          1HB       GLU   3  -6.381   6.696  11.898
   17   2HB   GLU   3          2HB       GLU   3  -7.535   7.514  13.023
   18   1HG   GLU   3          1HG       GLU   3  -7.428   4.433  12.433
   19   2HG   GLU   3          2HG       GLU   3  -6.584   5.078  13.677
   20    HE2  GLU   3           HE       GLU   3 -10.427   4.356  14.135
   21    H    GLY   4           H        GLY   4  -6.362   6.417   9.892
   22   1HA   GLY   4          1HA       GLY   4  -7.151   4.333   7.802
   23   2HA   GLY   4          2HA       GLY   4  -5.510   5.134   7.796
   24    H    GLN   5           H        GLN   5  -5.755   2.540   7.424
   25    HA   GLN   5           HA       GLN   5  -5.415   1.076  10.065
   26   1HB   GLN   5          1HB       GLN   5  -7.383  -0.458   9.561
   27   2HB   GLN   5          2HB       GLN   5  -7.828   1.181   9.533
   28   1HG   GLN   5          1HG       GLN   5  -7.505   1.033   6.839
   29   2HG   GLN   5          2HG       GLN   5  -7.539  -0.708   7.170
   30   1HE2  GLN   5          1HE2      GLN   5  -9.429  -1.521   8.167
   31   2HE2  GLN   5          2HE2      GLN   5 -10.990  -0.588   8.073
   32    H    VAL   6           H        VAL   6  -3.624   0.321   9.753
   33    HA   VAL   6           HA       VAL   6  -2.572  -1.086   7.382
   34    HB   VAL   6           HB       VAL   6  -1.211  -0.814  10.089
   35   1HG1  VAL   6          1HG1      VAL   6   0.912  -1.343   8.767
   36   2HG1  VAL   6          2HG1      VAL   6  -0.244  -2.682   8.897
   37   3HG1  VAL   6          3HG1      VAL   6  -0.203  -1.958   7.425
   38   1HG2  VAL   6          1HG2      VAL   6  -0.753   0.729   7.481
   39   2HG2  VAL   6          2HG2      VAL   6  -1.587   1.372   8.945
   40   3HG2  VAL   6          3HG2      VAL   6   0.127   0.990   8.991
   41    H    ILE   7           H        ILE   7  -2.908  -3.114   6.908
   42    HA   ILE   7           HA       ILE   7  -3.547  -5.280   8.722
   43    HB   ILE   7           HB       ILE   7  -5.699  -3.981   7.794
   44   1HG1  ILE   7          1HG1      ILE   7  -6.119  -5.848   9.170
   45   2HG1  ILE   7          2HG1      ILE   7  -7.085  -6.072   7.725
   46   1HG2  ILE   7          1HG2      ILE   7  -5.426  -3.883   5.429
   47   2HG2  ILE   7          2HG2      ILE   7  -5.353  -5.701   5.273
   48   3HG2  ILE   7          3HG2      ILE   7  -6.746  -4.899   5.726
   49   1HD1  ILE   7          1HD1      ILE   7  -5.999  -8.270   8.496
   50   2HD1  ILE   7          2HD1      ILE   7  -5.457  -7.738   6.777
   51   3HD1  ILE   7          3HD1      ILE   7  -4.452  -7.546   8.159
   52    H    ALA   8           H        ALA   8  -2.365  -6.839   8.327
   53    HA   ALA   8           HA       ALA   8  -0.595  -7.287   5.937
   54   1HB   ALA   8          1HB       ALA   8   0.095  -9.449   7.137
   55   2HB   ALA   8          2HB       ALA   8   0.077  -7.927   8.169
   56   3HB   ALA   8          3HB       ALA   8  -1.235  -9.067   8.370
   57    H    CYS   9           H        CYS   9  -0.594  -8.522   4.495
   58    HA   CYS   9           HA       CYS   9  -2.959 -10.100   3.439
   59   1HB   CYS   9          1HB       CYS   9  -1.121  -8.080   2.256
   60   2HB   CYS   9          2HB       CYS   9  -2.197  -9.082   1.258
   61    HG   CYS   9           HG       CYS   9  -4.278  -8.350   2.737
   62    H    HIS  10           H        HIS  10  -2.570 -11.879   2.750
   63    HA   HIS  10           HA       HIS  10   0.037 -13.103   1.824
   64   1HB   HIS  10          1HB       HIS  10  -1.911 -14.389   3.796
   65   2HB   HIS  10          2HB       HIS  10  -0.333 -15.136   3.240
   66    HD1  HIS  10           1HD      HIS  10   1.762 -13.564   4.122
   67    HD2  HIS  10           2HD      HIS  10  -2.005 -13.089   5.984
   68    HE1  HIS  10           1HE      HIS  10   2.049 -12.302   6.305
   69    H    THR  11           H        THR  11  -3.338 -13.162   0.735
   70    HA   THR  11           HA       THR  11  -2.747 -15.389  -1.137
   71    HB   THR  11           HB       THR  11  -4.944 -16.548  -0.237
   72    HG1  THR  11           1HG      THR  11  -5.469 -15.890   1.862
   73   1HG2  THR  11          1HG2      THR  11  -2.718 -17.397   0.941
   74   2HG2  THR  11          2HG2      THR  11  -2.928 -16.251   2.203
   75   3HG2  THR  11          3HG2      THR  11  -4.182 -17.494   1.924
   76    H    VAL  12           H        VAL  12  -4.794 -15.748  -2.282
   77    HA   VAL  12           HA       VAL  12  -5.756 -13.522  -3.754
   78    HB   VAL  12           HB       VAL  12  -6.008 -15.713  -4.642
   79   1HG1  VAL  12          1HG1      VAL  12  -8.454 -16.412  -2.811
   80   2HG1  VAL  12          2HG1      VAL  12  -7.913 -17.351  -4.117
   81   3HG1  VAL  12          3HG1      VAL  12  -6.884 -17.179  -2.748
   82   1HG2  VAL  12          1HG2      VAL  12  -7.416 -13.880  -5.527
   83   2HG2  VAL  12          2HG2      VAL  12  -8.064 -15.351  -6.015
   84   3HG2  VAL  12          3HG2      VAL  12  -8.763 -14.500  -4.564
   85    H    ASP  13           H        ASP  13  -6.638 -14.033  -0.676
   86    HA   ASP  13           HA       ASP  13  -9.308 -12.736  -0.347
   87   1HB   ASP  13          1HB       ASP  13  -7.082 -13.367   1.707
   88   2HB   ASP  13          2HB       ASP  13  -8.369 -12.345   2.174
   89    HD2  ASP  13           HD       ASP  13  -7.532 -15.501   1.048
   90    H    THR  14           H        THR  14  -5.978 -11.477   0.035
   91    HA   THR  14           HA       THR  14  -6.777  -8.729   0.052
   92    HB   THR  14           HB       THR  14  -4.312  -9.795   0.521
   93    HG1  THR  14           1HG      THR  14  -5.192  -7.602   0.395
   94   1HG2  THR  14          1HG2      THR  14  -3.739 -10.591  -2.068
   95   2HG2  THR  14          2HG2      THR  14  -3.694  -8.752  -2.304
   96   3HG2  THR  14          3HG2      THR  14  -2.635  -9.487  -1.160
   97    H    TRP  15           H        TRP  15  -6.540 -10.768  -2.677
   98    HA   TRP  15           HA       TRP  15  -6.540  -8.666  -4.885
   99   1HB   TRP  15          1HB       TRP  15  -7.430 -11.601  -4.944
  100   2HB   TRP  15          2HB       TRP  15  -8.036 -10.588  -6.052
  101    HD1  TRP  15           HD       TRP  15  -4.458 -11.941  -4.889
  102    HE1  TRP  15           1HE      TRP  15  -3.120 -12.280  -7.075
  103    HE3  TRP  15           3HE      TRP  15  -7.692  -9.641  -8.344
  104    HZ2  TRP  15           2HZ      TRP  15  -3.403 -11.657  -9.791
  105    HZ3  TRP  15           3HZ      TRP  15  -7.239  -9.985 -10.619
  106    HH2  TRP  15           HH       TRP  15  -5.096 -10.832 -11.423
  107    H    LYS  16           H        LYS  16  -9.030 -10.376  -3.056
  108    HA   LYS  16           HA       LYS  16 -11.226  -8.765  -3.787
  109   1HB   LYS  16          1HB       LYS  16 -11.163 -10.200  -1.142
  110   2HB   LYS  16          2HB       LYS  16 -12.488  -9.465  -1.858
  111   1HG   LYS  16          1HG       LYS  16 -12.463 -10.946  -3.815
  112   2HG   LYS  16          2HG       LYS  16 -11.080 -11.862  -3.292
  113   1HD   LYS  16          1HD       LYS  16 -13.852 -11.621  -1.801
  114   2HD   LYS  16          2HD       LYS  16 -13.370 -12.930  -2.983
  115   1HE   LYS  16          1HE       LYS  16 -11.591 -13.623  -1.494
  116   2HE   LYS  16          2HE       LYS  16 -11.694 -12.338  -0.429
  117   1HZ   LYS  16          1HZ       LYS  16 -12.767 -14.109   0.688
  118   2HZ   LYS  16          2HZ       LYS  16 -14.036 -13.101   0.149
  119    H    GLU  17           H        GLU  17  -9.122  -8.356  -0.804
  120    HA   GLU  17           HA       GLU  17 -10.354  -5.972   0.226
  121   1HB   GLU  17          1HB       GLU  17  -7.315  -6.520   0.631
  122   2HB   GLU  17          2HB       GLU  17  -8.360  -5.432   1.506
  123   1HG   GLU  17          1HG       GLU  17  -9.769  -7.607   2.360
  124   2HG   GLU  17          2HG       GLU  17  -8.732  -8.643   1.531
  125    HE2  GLU  17           HE       GLU  17  -6.502  -8.772   4.082
  126    H    HIS  18           H        HIS  18  -7.579  -6.063  -1.954
  127    HA   HIS  18           HA       HIS  18  -6.796  -3.313  -2.103
  128   1HB   HIS  18          1HB       HIS  18  -5.706  -5.465  -2.776
  129   2HB   HIS  18          2HB       HIS  18  -6.721  -5.553  -4.105
  130    HD1  HIS  18           1HD      HIS  18  -6.328  -2.766  -5.457
  131    HD2  HIS  18           2HD      HIS  18  -3.440  -5.447  -3.980
  132    HE1  HIS  18           1HE      HIS  18  -4.000  -2.373  -6.702
  133    H    PHE  19           H        PHE  19  -8.836  -5.093  -4.198
  134    HA   PHE  19           HA       PHE  19  -9.420  -2.810  -5.962
  135   1HB   PHE  19          1HB       PHE  19  -9.983  -5.896  -6.198
  136   2HB   PHE  19          2HB       PHE  19 -10.983  -4.884  -7.197
  137    HD1  PHE  19           1HD      PHE  19  -9.948  -3.334  -8.888
  138    HD2  PHE  19           2HD      PHE  19  -7.589  -6.046  -6.717
  139    HE1  PHE  19           1HE      PHE  19  -8.024  -2.917 -10.486
  140    HE2  PHE  19           2HE      PHE  19  -5.562  -5.462  -8.016
  141    HZ   PHE  19           HZ       PHE  19  -5.848  -4.029  -9.974
  142    H    GLU  20           H        GLU  20 -11.578  -5.043  -4.057
  143    HA   GLU  20           HA       GLU  20 -13.953  -3.554  -4.400
  144   1HB   GLU  20          1HB       GLU  20 -13.205  -5.258  -2.022
  145   2HB   GLU  20          2HB       GLU  20 -14.830  -4.570  -2.397
  146   1HG   GLU  20          1HG       GLU  20 -13.186  -6.496  -4.277
  147   2HG   GLU  20          2HG       GLU  20 -14.234  -7.071  -2.934
  148    HE2  GLU  20           HE       GLU  20 -15.722  -6.816  -6.351
  149    H    LYS  21           H        LYS  21 -11.644  -3.010  -1.701
  150    HA   LYS  21           HA       LYS  21 -13.004  -0.757  -0.571
  151   1HB   LYS  21          1HB       LYS  21  -9.988  -1.294  -0.546
  152   2HB   LYS  21          2HB       LYS  21 -10.745   0.022   0.296
  153   1HG   LYS  21          1HG       LYS  21 -11.124  -2.994   0.945
  154   2HG   LYS  21          2HG       LYS  21 -10.107  -1.823   1.813
  155   1HD   LYS  21          1HD       LYS  21 -11.896  -0.430   2.532
  156   2HD   LYS  21          2HD       LYS  21 -13.123  -1.256   1.727
  157   1HE   LYS  21          1HE       LYS  21 -13.368  -2.120   3.942
  158   2HE   LYS  21          2HE       LYS  21 -12.553  -3.448   3.035
  159   1HZ   LYS  21          1HZ       LYS  21 -10.835  -1.524   4.412
  160   2HZ   LYS  21          2HZ       LYS  21 -11.726  -2.575   5.285
  161    H    GLY  22           H        GLY  22 -10.064  -0.707  -2.686
  162   1HA   GLY  22          1HA       GLY  22  -9.615   1.932  -3.358
  163   2HA   GLY  22          2HA       GLY  22  -9.257   0.661  -4.482
  164    H    LYS  23           H        LYS  23 -10.827   0.000  -5.867
  165    HA   LYS  23           HA       LYS  23 -12.866   1.792  -6.802
  166   1HB   LYS  23          1HB       LYS  23 -11.721   0.727  -8.412
  167   2HB   LYS  23          2HB       LYS  23 -12.086  -0.928  -7.726
  168   1HG   LYS  23          1HG       LYS  23 -14.694   0.415  -8.396
  169   2HG   LYS  23          2HG       LYS  23 -13.527   0.789  -9.799
  170   1HD   LYS  23          1HD       LYS  23 -14.120  -2.044  -8.489
  171   2HD   LYS  23          2HD       LYS  23 -15.018  -1.465  -9.897
  172   1HE   LYS  23          1HE       LYS  23 -12.937  -1.339 -11.258
  173   2HE   LYS  23          2HE       LYS  23 -11.816  -1.742 -10.061
  174   1HZ   LYS  23          1HZ       LYS  23 -12.879  -3.936  -9.820
  175   2HZ   LYS  23          2HZ       LYS  23 -14.115  -3.462 -10.702
  176    H    GLY  24           H        GLY  24 -14.160   1.966  -5.344
  177   1HA   GLY  24          1HA       GLY  24 -16.586   0.678  -5.459
  178   2HA   GLY  24          2HA       GLY  24 -15.973  -0.344  -4.250
  179    H    SER  25           H        SER  25 -14.513   2.015  -3.083
  180    HA   SER  25           HA       SER  25 -16.714   3.197  -1.500
  181   1HB   SER  25          1HB       SER  25 -14.032   2.254  -0.378
  182   2HB   SER  25          2HB       SER  25 -15.439   2.839   0.698
  183    HG   SER  25           HG       SER  25 -15.140   0.573  -1.104
  184    H    GLN  26           H        GLN  26 -16.449   5.327  -1.279
  185    HA   GLN  26           HA       GLN  26 -14.552   7.014  -2.499
  186   1HB   GLN  26          1HB       GLN  26 -16.585   7.551  -0.207
  187   2HB   GLN  26          2HB       GLN  26 -15.576   8.796  -0.734
  188   1HG   GLN  26          1HG       GLN  26 -17.634   8.959  -1.915
  189   2HG   GLN  26          2HG       GLN  26 -16.391   8.693  -3.061
  190   1HE2  GLN  26          1HE2      GLN  26 -17.145   7.620  -4.737
  191   2HE2  GLN  26          2HE2      GLN  26 -18.352   6.238  -4.737
  192    H    LYS  27           H        LYS  27 -12.638   5.692  -1.780
  193    HA   LYS  27           HA       LYS  27 -10.888   7.430  -0.083
  194   1HB   LYS  27          1HB       LYS  27 -10.146   5.517   1.396
  195   2HB   LYS  27          2HB       LYS  27 -11.906   5.946   1.363
  196   1HG   LYS  27          1HG       LYS  27 -12.446   3.950  -0.049
  197   2HG   LYS  27          2HG       LYS  27 -10.627   3.556  -0.058
  198   1HD   LYS  27          1HD       LYS  27 -11.818   2.100   1.677
  199   2HD   LYS  27          2HD       LYS  27 -10.645   3.162   2.355
  200   1HE   LYS  27          1HE       LYS  27 -12.450   4.605   3.186
  201   2HE   LYS  27          2HE       LYS  27 -13.713   3.814   2.167
  202   1HZ   LYS  27          1HZ       LYS  27 -12.167   2.607   4.238
  203   2HZ   LYS  27          2HZ       LYS  27 -13.430   3.425   4.610
  204    H    LEU  28           H        LEU  28  -8.682   6.765  -0.031
  205    HA   LEU  28           HA       LEU  28  -7.390   5.685  -2.535
  206   1HB   LEU  28          1HB       LEU  28  -6.695   8.092  -1.707
  207   2HB   LEU  28          2HB       LEU  28  -6.095   7.330  -0.386
  208    HG   LEU  28           HG       LEU  28  -4.652   5.719  -2.067
  209   1HD1  LEU  28          1HD1      LEU  28  -5.849   6.839  -4.178
  210   2HD1  LEU  28          2HD1      LEU  28  -5.134   8.391  -3.649
  211   3HD1  LEU  28          3HD1      LEU  28  -4.103   6.921  -4.164
  212   1HD2  LEU  28          1HD2      LEU  28  -3.900   8.604  -1.304
  213   2HD2  LEU  28          2HD2      LEU  28  -3.553   7.208  -0.279
  214   3HD2  LEU  28          3HD2      LEU  28  -2.721   7.360  -1.786
  215    H    ILE  29           H        ILE  29  -5.848   3.935  -2.113
  216    HA   ILE  29           HA       ILE  29  -5.710   2.615   0.439
  217    HB   ILE  29           HB       ILE  29  -6.545   0.616   0.023
  218   1HG1  ILE  29          1HG1      ILE  29  -7.703   0.196  -2.587
  219   2HG1  ILE  29          2HG1      ILE  29  -6.450   1.309  -2.929
  220   1HG2  ILE  29          1HG2      ILE  29  -8.842   0.596  -0.543
  221   2HG2  ILE  29          2HG2      ILE  29  -8.485   2.061   0.457
  222   3HG2  ILE  29          3HG2      ILE  29  -8.730   2.278  -1.255
  223   1HD1  ILE  29          1HD1      ILE  29  -4.761  -0.344  -2.475
  224   2HD1  ILE  29          2HD1      ILE  29  -5.982  -1.321  -1.577
  225   3HD1  ILE  29          3HD1      ILE  29  -6.155  -1.139  -3.270
  226    H    VAL  30           H        VAL  30  -3.885   1.597   0.507
  227    HA   VAL  30           HA       VAL  30  -1.822   1.959  -1.535
  228    HB   VAL  30           HB       VAL  30  -1.323   2.336   1.323
  229   1HG1  VAL  30          1HG1      VAL  30   0.824   1.903   0.238
  230   2HG1  VAL  30          2HG1      VAL  30   0.599   3.171  -0.909
  231   3HG1  VAL  30          3HG1      VAL  30   0.763   3.647   0.710
  232   1HG2  VAL  30          1HG2      VAL  30  -1.313   4.841   0.981
  233   2HG2  VAL  30          2HG2      VAL  30  -1.851   4.610  -0.660
  234   3HG2  VAL  30          3HG2      VAL  30  -3.004   4.068   0.746
  235    H    VAL  31           H        VAL  31  -0.212   0.330  -1.610
  236    HA   VAL  31           HA       VAL  31  -0.407  -2.040   0.150
  237    HB   VAL  31           HB       VAL  31  -2.092  -2.723  -0.969
  238   1HG1  VAL  31          1HG1      VAL  31  -0.942  -2.101  -3.756
  239   2HG1  VAL  31          2HG1      VAL  31  -2.656  -2.528  -3.332
  240   3HG1  VAL  31          3HG1      VAL  31  -1.982  -1.006  -2.861
  241   1HG2  VAL  31          1HG2      VAL  31  -1.487  -4.755  -2.352
  242   2HG2  VAL  31          2HG2      VAL  31   0.175  -4.130  -2.283
  243   3HG2  VAL  31          3HG2      VAL  31  -0.548  -4.506  -0.811
  244    H    ASP  32           H        ASP  32   1.482  -2.122   0.869
  245    HA   ASP  32           HA       ASP  32   3.942  -1.732  -0.456
  246   1HB   ASP  32          1HB       ASP  32   3.418  -1.330   2.091
  247   2HB   ASP  32          2HB       ASP  32   3.549  -2.947   2.293
  248    HD2  ASP  32           HD       ASP  32   6.767  -1.147   0.672
  249    H    PHE  33           H        PHE  33   4.722  -3.259  -1.668
  250    HA   PHE  33           HA       PHE  33   4.449  -6.254  -1.365
  251   1HB   PHE  33          1HB       PHE  33   5.533  -4.454  -3.783
  252   2HB   PHE  33          2HB       PHE  33   5.473  -6.324  -3.752
  253    HD1  PHE  33           1HD      PHE  33   3.636  -7.699  -3.565
  254    HD2  PHE  33           2HD      PHE  33   3.113  -3.518  -4.407
  255    HE1  PHE  33           1HE      PHE  33   1.291  -8.167  -4.288
  256    HE2  PHE  33           2HE      PHE  33   0.786  -3.897  -4.916
  257    HZ   PHE  33           HZ       PHE  33  -0.214  -6.299  -4.862
  258    H    THR  34           H        THR  34   5.947  -7.028  -0.157
  259    HA   THR  34           HA       THR  34   8.675  -6.242  -0.187
  260    HB   THR  34           HB       THR  34   7.724  -4.145   1.074
  261    HG1  THR  34           1HG      THR  34   9.110  -6.163   2.358
  262   1HG2  THR  34          1HG2      THR  34   7.045  -6.182   3.268
  263   2HG2  THR  34          2HG2      THR  34   6.810  -4.405   3.249
  264   3HG2  THR  34          3HG2      THR  34   5.813  -5.582   2.424
  265    H    ALA  35           H        ALA  35   9.891  -7.567   1.164
  266    HA   ALA  35           HA       ALA  35   8.854 -10.199   2.224
  267   1HB   ALA  35          1HB       ALA  35  11.456 -10.502   1.930
  268   2HB   ALA  35          2HB       ALA  35  10.529  -9.873   0.407
  269   3HB   ALA  35          3HB       ALA  35  11.597  -8.800   1.440
  270    H    SER  36           H        SER  36   9.195 -10.834   4.098
  271    HA   SER  36           HA       SER  36   9.486  -9.029   6.457
  272   1HB   SER  36          1HB       SER  36   8.351 -11.292   6.526
  273   2HB   SER  36          2HB       SER  36  10.018 -12.100   6.672
  274    HG   SER  36           HG       SER  36  10.084 -11.191   8.614
  275    H    TRP  37           H        TRP  37  11.726 -10.865   4.799
  276    HA   TRP  37           HA       TRP  37  14.089  -9.852   6.264
  277   1HB   TRP  37          1HB       TRP  37  15.495 -11.070   4.906
  278   2HB   TRP  37          2HB       TRP  37  14.310 -12.095   5.647
  279    HD1  TRP  37           HD       TRP  37  12.332 -13.259   4.030
  280    HE1  TRP  37           1HE      TRP  37  11.740 -13.173   1.442
  281    HE3  TRP  37           3HE      TRP  37  16.178 -10.335   2.472
  282    HZ2  TRP  37           2HZ      TRP  37  13.185 -12.394  -0.900
  283    HZ3  TRP  37           3HZ      TRP  37  16.525  -9.967   0.084
  284    HH2  TRP  37           HH       TRP  37  15.084 -10.901  -1.577
  285    H    CYS  38           H        CYS  38  13.486  -7.651   6.018
  286    HA   CYS  38           HA       CYS  38  14.764  -6.230   3.806
  287   1HB   CYS  38          1HB       CYS  38  12.627  -6.459   2.632
  288   2HB   CYS  38          2HB       CYS  38  11.830  -5.838   3.959
  289    HG   CYS  38           HG       CYS  38  11.860  -4.046   2.159
  290    HA   PRO  39           HA       PRO  39  14.942  -4.121   8.134
  291   1HB   PRO  39          1HB       PRO  39  17.359  -2.782   7.755
  292   2HB   PRO  39          2HB       PRO  39  16.970  -4.260   8.590
  293   1HG   PRO  39          1HG       PRO  39  18.085  -4.166   5.784
  294   2HG   PRO  39          2HG       PRO  39  18.448  -5.355   7.039
  295   1HD   PRO  39          1HD       PRO  39  16.607  -5.912   4.992
  296   2HD   PRO  39          2HD       PRO  39  16.386  -6.588   6.566
  297    HA   PRO  40           HA       PRO  40  14.628   0.298   5.642
  298   1HB   PRO  40          1HB       PRO  40  14.107  -0.832   3.009
  299   2HB   PRO  40          2HB       PRO  40  14.817   0.739   3.418
  300   1HG   PRO  40          1HG       PRO  40  16.361  -1.439   2.526
  301   2HG   PRO  40          2HG       PRO  40  16.958  -0.413   3.920
  302   1HD   PRO  40          1HD       PRO  40  15.423  -3.060   3.999
  303   2HD   PRO  40          2HD       PRO  40  16.862  -2.569   4.926
  304    H    CYS  41           H        CYS  41  12.472  -2.282   4.343
  305    HA   CYS  41           HA       CYS  41  10.109  -0.758   5.404
  306   1HB   CYS  41          1HB       CYS  41  10.105  -3.668   4.246
  307   2HB   CYS  41          2HB       CYS  41   8.748  -2.824   4.776
  308    HG   CYS  41           HG       CYS  41  10.183  -0.687   3.082
  309    H    LYS  42           H        LYS  42  12.362  -2.883   7.099
  310    HA   LYS  42           HA       LYS  42  10.412  -3.292   9.237
  311   1HB   LYS  42          1HB       LYS  42  13.415  -2.975   9.432
  312   2HB   LYS  42          2HB       LYS  42  12.607  -3.306  10.928
  313   1HG   LYS  42          1HG       LYS  42  11.613  -5.408   9.844
  314   2HG   LYS  42          2HG       LYS  42  12.653  -5.207   8.530
  315   1HD   LYS  42          1HD       LYS  42  14.765  -5.292  10.202
  316   2HD   LYS  42          2HD       LYS  42  13.563  -5.513  11.472
  317   1HE   LYS  42          1HE       LYS  42  14.659  -7.488  11.083
  318   2HE   LYS  42          2HE       LYS  42  12.997  -7.885  10.392
  319   1HZ   LYS  42          1HZ       LYS  42  13.692  -7.644   8.198
  320   2HZ   LYS  42          2HZ       LYS  42  15.057  -6.788   8.528
  321    H    MET  43           H        MET  43  12.699  -0.377   8.795
  322    HA   MET  43           HA       MET  43  11.341   1.356  10.799
  323   1HB   MET  43          1HB       MET  43  12.412   3.285   9.946
  324   2HB   MET  43          2HB       MET  43  13.509   1.974  10.354
  325   1HG   MET  43          1HG       MET  43  13.779   1.598   7.891
  326   2HG   MET  43          2HG       MET  43  12.512   2.867   7.500
  327   1HE   MET  43          1HE       MET  43  13.758   5.059   6.371
  328   2HE   MET  43          2HE       MET  43  15.524   5.056   6.654
  329   3HE   MET  43          3HE       MET  43  14.700   3.576   6.027
  330    H    ILE  44           H        ILE  44  10.717   1.102   7.342
  331    HA   ILE  44           HA       ILE  44   8.407   2.763   7.402
  332    HB   ILE  44           HB       ILE  44   9.771   1.472   5.311
  333   1HG1  ILE  44          1HG1      ILE  44   8.233   2.850   3.760
  334   2HG1  ILE  44          2HG1      ILE  44   7.219   3.228   4.963
  335   1HG2  ILE  44          1HG2      ILE  44   6.948   0.654   4.713
  336   2HG2  ILE  44          2HG2      ILE  44   8.377   0.336   3.811
  337   3HG2  ILE  44          3HG2      ILE  44   8.011  -0.490   5.425
  338   1HD1  ILE  44          1HD1      ILE  44   9.370   4.445   6.260
  339   2HD1  ILE  44          2HD1      ILE  44  10.233   4.139   4.767
  340   3HD1  ILE  44          3HD1      ILE  44   8.723   5.138   4.733
  341    H    ALA  45           H        ALA  45   8.177  -0.535   8.644
  342    HA   ALA  45           HA       ALA  45   5.289  -0.750   8.640
  343   1HB   ALA  45          1HB       ALA  45   7.415  -2.075  10.203
  344   2HB   ALA  45          2HB       ALA  45   5.714  -2.068  10.851
  345   3HB   ALA  45          3HB       ALA  45   6.067  -2.739   9.262
  346    HA   PRO  46           HA       PRO  46   5.028   2.042  12.622
  347   1HB   PRO  46          1HB       PRO  46   7.529   3.333  13.338
  348   2HB   PRO  46          2HB       PRO  46   6.614   1.995  14.202
  349   1HG   PRO  46          1HG       PRO  46   9.065   1.997  12.332
  350   2HG   PRO  46          2HG       PRO  46   8.748   0.894  13.602
  351   1HD   PRO  46          1HD       PRO  46   8.177   0.033  11.038
  352   2HD   PRO  46          2HD       PRO  46   7.396  -0.532  12.438
  353    H    ILE  47           H        ILE  47   7.100   3.165   9.898
  354    HA   ILE  47           HA       ILE  47   5.929   5.886   9.991
  355    HB   ILE  47           HB       ILE  47   7.428   4.716   7.686
  356   1HG1  ILE  47          1HG1      ILE  47   8.794   5.307   9.521
  357   2HG1  ILE  47          2HG1      ILE  47   9.165   6.305   8.200
  358   1HG2  ILE  47          1HG2      ILE  47   5.784   6.307   6.632
  359   2HG2  ILE  47          2HG2      ILE  47   6.489   7.602   7.653
  360   3HG2  ILE  47          3HG2      ILE  47   7.466   6.791   6.497
  361   1HD1  ILE  47          1HD1      ILE  47   9.292   7.557  10.258
  362   2HD1  ILE  47          2HD1      ILE  47   7.865   8.166   9.346
  363   3HD1  ILE  47          3HD1      ILE  47   7.642   7.063  10.849
  364    H    PHE  48           H        PHE  48   5.022   3.174   7.919
  365    HA   PHE  48           HA       PHE  48   2.756   4.149   6.690
  366   1HB   PHE  48          1HB       PHE  48   4.110   1.774   6.674
  367   2HB   PHE  48          2HB       PHE  48   3.128   1.140   7.790
  368    HD1  PHE  48           1HD      PHE  48   1.731  -0.452   6.651
  369    HD2  PHE  48           2HD      PHE  48   2.674   3.193   4.661
  370    HE1  PHE  48           1HE      PHE  48   0.439  -1.138   4.569
  371    HE2  PHE  48           2HE      PHE  48   1.384   2.507   2.660
  372    HZ   PHE  48           HZ       PHE  48   0.364   0.297   2.591
  373    H    ALA  49           H        ALA  49   2.858   2.596   9.988
  374    HA   ALA  49           HA       ALA  49   0.028   3.054  10.708
  375   1HB   ALA  49          1HB       ALA  49   1.381   1.271  11.746
  376   2HB   ALA  49          2HB       ALA  49   2.482   2.505  12.368
  377   3HB   ALA  49          3HB       ALA  49   0.689   2.408  12.880
  378    H    GLU  50           H        GLU  50   2.936   5.172  11.457
  379    HA   GLU  50           HA       GLU  50   1.432   7.178  12.898
  380   1HB   GLU  50          1HB       GLU  50   3.941   6.914  12.944
  381   2HB   GLU  50          2HB       GLU  50   4.035   7.469  11.271
  382   1HG   GLU  50          1HG       GLU  50   2.914   9.249  13.547
  383   2HG   GLU  50          2HG       GLU  50   4.668   9.107  13.352
  384    HE2  GLU  50           HE       GLU  50   3.923  12.128  11.622
  385    H    LEU  51           H        LEU  51   2.235   7.257   9.651
  386    HA   LEU  51           HA       LEU  51   0.588   9.693   8.851
  387   1HB   LEU  51          1HB       LEU  51   2.656   9.121   7.786
  388   2HB   LEU  51          2HB       LEU  51   2.373   7.481   7.546
  389    HG   LEU  51           HG       LEU  51   2.462   8.854   5.491
  390   1HD1  LEU  51          1HD1      LEU  51  -0.065   7.328   5.761
  391   2HD1  LEU  51          2HD1      LEU  51   0.885   7.645   4.263
  392   3HD1  LEU  51          3HD1      LEU  51   1.611   6.551   5.433
  393   1HD2  LEU  51          1HD2      LEU  51   0.464  10.626   6.628
  394   2HD2  LEU  51          2HD2      LEU  51   0.613  10.258   4.808
  395   3HD2  LEU  51          3HD2      LEU  51  -0.537   9.441   5.958
  396    H    ALA  52           H        ALA  52  -0.116   6.045   8.808
  397    HA   ALA  52           HA       ALA  52  -2.939   6.272   7.782
  398   1HB   ALA  52          1HB       ALA  52  -2.034   4.002   8.007
  399   2HB   ALA  52          2HB       ALA  52  -1.754   4.182   9.797
  400   3HB   ALA  52          3HB       ALA  52  -3.366   4.296   9.160
  401    H    LYS  53           H        LYS  53  -1.673   6.778  10.967
  402    HA   LYS  53           HA       LYS  53  -4.313   7.526  12.193
  403   1HB   LYS  53          1HB       LYS  53  -1.384   7.716  13.413
  404   2HB   LYS  53          2HB       LYS  53  -2.888   8.260  14.209
  405   1HG   LYS  53          1HG       LYS  53  -3.864   6.153  14.334
  406   2HG   LYS  53          2HG       LYS  53  -2.686   5.363  13.352
  407   1HD   LYS  53          1HD       LYS  53  -2.286   6.800  16.118
  408   2HD   LYS  53          2HD       LYS  53  -2.505   5.059  15.901
  409   1HE   LYS  53          1HE       LYS  53  -0.209   5.127  14.624
  410   2HE   LYS  53          2HE       LYS  53  -0.192   6.803  15.024
  411   1HZ   LYS  53          1HZ       LYS  53   1.020   6.230  16.678
  412   2HZ   LYS  53          2HZ       LYS  53  -0.380   6.148  17.539
  413    H    LYS  54           H        LYS  54  -1.852   9.304  10.519
  414    HA   LYS  54           HA       LYS  54  -2.875  11.922  11.371
  415   1HB   LYS  54          1HB       LYS  54  -0.461  11.059  10.506
  416   2HB   LYS  54          2HB       LYS  54  -1.138  11.192   8.850
  417   1HG   LYS  54          1HG       LYS  54  -1.681  13.588   9.161
  418   2HG   LYS  54          2HG       LYS  54  -1.111  13.611  10.820
  419   1HD   LYS  54          1HD       LYS  54   0.685  13.342   8.210
  420   2HD   LYS  54          2HD       LYS  54   0.676  14.639   9.498
  421   1HE   LYS  54          1HE       LYS  54   1.594  13.280  11.138
  422   2HE   LYS  54          2HE       LYS  54   1.682  11.735  10.210
  423   1HZ   LYS  54          1HZ       LYS  54   3.777  12.439  10.021
  424   2HZ   LYS  54          2HZ       LYS  54   3.179  13.113   8.642
  425    H    PHE  55           H        PHE  55  -3.642   9.637   8.918
  426    HA   PHE  55           HA       PHE  55  -5.232  11.495   7.132
  427   1HB   PHE  55          1HB       PHE  55  -2.870   9.762   6.659
  428   2HB   PHE  55          2HB       PHE  55  -4.246   9.617   5.570
  429    HD1  PHE  55           1HD      PHE  55  -4.889  11.428   4.176
  430    HD2  PHE  55           2HD      PHE  55  -1.655  11.818   6.753
  431    HE1  PHE  55           1HE      PHE  55  -4.237  13.531   2.962
  432    HE2  PHE  55           2HE      PHE  55  -0.987  13.983   5.705
  433    HZ   PHE  55           HZ       PHE  55  -2.146  14.692   3.623
  434    HA   PRO  56           HA       PRO  56  -8.357   8.153   8.527
  435   1HB   PRO  56          1HB       PRO  56 -10.455   9.693   8.687
  436   2HB   PRO  56          2HB       PRO  56  -9.187   9.722  10.062
  437   1HG   PRO  56          1HG       PRO  56  -9.546  11.670   7.682
  438   2HG   PRO  56          2HG       PRO  56  -9.333  11.982   9.355
  439   1HD   PRO  56          1HD       PRO  56  -7.474  11.935   7.361
  440   2HD   PRO  56          2HD       PRO  56  -6.902  11.683   9.002
  441    H    ASN  57           H        ASN  57  -8.100   9.327   5.555
  442    HA   ASN  57           HA       ASN  57 -10.710   8.566   4.300
  443   1HB   ASN  57          1HB       ASN  57 -10.228   9.921   2.441
  444   2HB   ASN  57          2HB       ASN  57 -10.110  10.917   4.108
  445   1HD2  ASN  57          1HD2      ASN  57  -7.996  11.949   4.456
  446   2HD2  ASN  57          2HD2      ASN  57  -6.879  12.012   2.991
  447    H    VAL  58           H        VAL  58  -8.178   7.009   5.132
  448    HA   VAL  58           HA       VAL  58  -7.526   5.755   2.497
  449    HB   VAL  58           HB       VAL  58  -6.414   7.810   2.488
  450   1HG1  VAL  58          1HG1      VAL  58  -4.944   7.171   5.102
  451   2HG1  VAL  58          2HG1      VAL  58  -4.321   8.086   3.950
  452   3HG1  VAL  58          3HG1      VAL  58  -5.870   8.334   4.865
  453   1HG2  VAL  58          1HG2      VAL  58  -4.233   7.077   1.811
  454   2HG2  VAL  58          2HG2      VAL  58  -4.471   5.468   2.622
  455   3HG2  VAL  58          3HG2      VAL  58  -5.426   5.905   1.236
  456    H    THR  59           H        THR  59  -7.413   3.624   2.541
  457    HA   THR  59           HA       THR  59  -6.921   2.052   4.997
  458    HB   THR  59           HB       THR  59  -7.900   1.294   2.394
  459    HG1  THR  59           1HG      THR  59  -9.638   1.727   3.336
  460   1HG2  THR  59          1HG2      THR  59  -8.308  -1.080   3.229
  461   2HG2  THR  59          2HG2      THR  59  -6.618  -0.692   3.095
  462   3HG2  THR  59          3HG2      THR  59  -7.455  -0.755   4.735
  463    H    PHE  60           H        PHE  60  -5.236   0.636   4.944
  464    HA   PHE  60           HA       PHE  60  -2.962   0.761   2.979
  465   1HB   PHE  60          1HB       PHE  60  -2.885   1.078   6.125
  466   2HB   PHE  60          2HB       PHE  60  -1.477   0.957   5.149
  467    HD1  PHE  60           1HD      PHE  60  -0.724   2.901   3.551
  468    HD2  PHE  60           2HD      PHE  60  -3.990   3.326   6.366
  469    HE1  PHE  60           1HE      PHE  60  -0.655   5.389   3.527
  470    HE2  PHE  60           2HE      PHE  60  -4.120   5.556   5.947
  471    HZ   PHE  60           HZ       PHE  60  -2.262   6.713   4.697
  472    H    LEU  61           H        LEU  61  -2.069  -1.116   2.576
  473    HA   LEU  61           HA       LEU  61  -2.374  -3.490   4.407
  474   1HB   LEU  61          1HB       LEU  61  -3.540  -4.746   3.042
  475   2HB   LEU  61          2HB       LEU  61  -4.424  -3.310   3.070
  476    HG   LEU  61           HG       LEU  61  -3.225  -2.844   0.807
  477   1HD1  LEU  61          1HD1      LEU  61  -3.596  -5.897   1.001
  478   2HD1  LEU  61          2HD1      LEU  61  -3.060  -5.000  -0.529
  479   3HD1  LEU  61          3HD1      LEU  61  -1.964  -4.995   0.899
  480   1HD2  LEU  61          1HD2      LEU  61  -5.622  -2.738   1.317
  481   2HD2  LEU  61          2HD2      LEU  61  -4.936  -3.200  -0.401
  482   3HD2  LEU  61          3HD2      LEU  61  -5.683  -4.435   0.569
  483    H    LYS  62           H        LYS  62  -1.271  -5.020   3.631
  484    HA   LYS  62           HA       LYS  62   1.329  -4.604   2.143
  485   1HB   LYS  62          1HB       LYS  62   2.956  -5.068   4.116
  486   2HB   LYS  62          2HB       LYS  62   2.172  -3.493   4.201
  487   1HG   LYS  62          1HG       LYS  62   0.528  -4.583   5.935
  488   2HG   LYS  62          2HG       LYS  62   1.457  -6.068   5.732
  489   1HD   LYS  62          1HD       LYS  62   3.560  -4.629   6.438
  490   2HD   LYS  62          2HD       LYS  62   2.477  -3.328   6.865
  491   1HE   LYS  62          1HE       LYS  62   1.214  -4.626   8.509
  492   2HE   LYS  62          2HE       LYS  62   2.232  -6.071   8.130
  493   1HZ   LYS  62          1HZ       LYS  62   3.215  -3.581   9.460
  494   2HZ   LYS  62          2HZ       LYS  62   4.086  -4.941   9.192
  495    H    VAL  63           H        VAL  63   1.916  -6.023   1.250
  496    HA   VAL  63           HA       VAL  63   1.037  -8.854   1.544
  497    HB   VAL  63           HB       VAL  63   1.893  -7.289  -0.803
  498   1HG1  VAL  63          1HG1      VAL  63   1.463  -9.496  -2.281
  499   2HG1  VAL  63          2HG1      VAL  63   3.002  -9.278  -1.467
  500   3HG1  VAL  63          3HG1      VAL  63   1.831 -10.449  -0.743
  501   1HG2  VAL  63          1HG2      VAL  63  -0.101  -7.761  -1.948
  502   2HG2  VAL  63          2HG2      VAL  63  -0.607  -8.614  -0.681
  503   3HG2  VAL  63          3HG2      VAL  63  -0.239  -6.866  -0.349
  504    H    ASP  64           H        ASP  64   2.409 -10.303   2.414
  505    HA   ASP  64           HA       ASP  64   5.348 -10.268   2.485
  506   1HB   ASP  64          1HB       ASP  64   3.627 -11.466   3.847
  507   2HB   ASP  64          2HB       ASP  64   3.254 -12.558   2.530
  508    HD2  ASP  64           HD       ASP  64   6.059 -13.105   5.291
  509    H    VAL  65           H        VAL  65   6.063  -9.915   0.465
  510    HA   VAL  65           HA       VAL  65   5.168 -10.759  -2.046
  511    HB   VAL  65           HB       VAL  65   6.660  -9.019  -1.685
  512   1HG1  VAL  65          1HG1      VAL  65   9.228  -9.308  -1.503
  513   2HG1  VAL  65          2HG1      VAL  65   8.444 -10.289  -0.303
  514   3HG1  VAL  65          3HG1      VAL  65   9.048 -11.087  -1.803
  515   1HG2  VAL  65          1HG2      VAL  65   7.445 -10.979  -3.918
  516   2HG2  VAL  65          2HG2      VAL  65   6.069  -9.760  -4.013
  517   3HG2  VAL  65          3HG2      VAL  65   7.722  -9.297  -3.987
  518    H    ASP  66           H        ASP  66   7.191 -12.774  -0.044
  519    HA   ASP  66           HA       ASP  66   7.594 -14.941  -2.012
  520   1HB   ASP  66          1HB       ASP  66   7.379 -15.094   1.080
  521   2HB   ASP  66          2HB       ASP  66   7.948 -16.391   0.127
  522    HD2  ASP  66           HD       ASP  66  10.984 -15.227  -0.381
  523    H    GLU  67           H        GLU  67   4.718 -14.339  -0.253
  524    HA   GLU  67           HA       GLU  67   3.189 -16.724  -1.130
  525   1HB   GLU  67          1HB       GLU  67   2.118 -14.096  -0.203
  526   2HB   GLU  67          2HB       GLU  67   1.205 -15.435  -0.446
  527   1HG   GLU  67          1HG       GLU  67   3.490 -15.260   1.700
  528   2HG   GLU  67          2HG       GLU  67   1.747 -14.970   1.948
  529    HE2  GLU  67           HE       GLU  67   0.761 -18.334   1.538
  530    H    LEU  68           H        LEU  68   3.636 -13.463  -2.498
  531    HA   LEU  68           HA       LEU  68   1.689 -14.032  -4.756
  532   1HB   LEU  68          1HB       LEU  68   1.562 -11.722  -2.715
  533   2HB   LEU  68          2HB       LEU  68   0.647 -11.671  -4.246
  534    HG   LEU  68           HG       LEU  68   0.090 -13.691  -1.966
  535   1HD1  LEU  68          1HD1      LEU  68  -1.843 -12.481  -1.557
  536   2HD1  LEU  68          2HD1      LEU  68  -0.623 -11.286  -1.329
  537   3HD1  LEU  68          3HD1      LEU  68  -1.609 -11.258  -2.825
  538   1HD2  LEU  68          1HD2      LEU  68  -0.452 -14.700  -4.162
  539   2HD2  LEU  68          2HD2      LEU  68  -1.919 -14.200  -3.379
  540   3HD2  LEU  68          3HD2      LEU  68  -1.300 -13.153  -4.601
  541    H    LYS  69           H        LYS  69   4.111 -14.080  -5.038
  542    HA   LYS  69           HA       LYS  69   5.673 -11.718  -5.841
  543   1HB   LYS  69          1HB       LYS  69   7.372 -12.956  -6.779
  544   2HB   LYS  69          2HB       LYS  69   6.996 -13.433  -5.175
  545   1HG   LYS  69          1HG       LYS  69   6.022 -15.465  -5.621
  546   2HG   LYS  69          2HG       LYS  69   5.930 -15.371  -7.322
  547   1HD   LYS  69          1HD       LYS  69   8.492 -15.366  -7.408
  548   2HD   LYS  69          2HD       LYS  69   8.579 -15.554  -5.673
  549   1HE   LYS  69          1HE       LYS  69   7.131 -17.480  -7.760
  550   2HE   LYS  69          2HE       LYS  69   8.916 -17.588  -7.320
  551   1HZ   LYS  69          1HZ       LYS  69   8.031 -17.612  -5.002
  552   2HZ   LYS  69          2HZ       LYS  69   6.530 -18.133  -5.538
  553    H    ALA  70           H        ALA  70   3.817 -14.206  -7.611
  554    HA   ALA  70           HA       ALA  70   4.260 -13.621 -10.438
  555   1HB   ALA  70          1HB       ALA  70   2.271 -15.076 -10.921
  556   2HB   ALA  70          2HB       ALA  70   3.568 -15.864  -9.776
  557   3HB   ALA  70          3HB       ALA  70   2.189 -15.174  -9.014
  558    H    VAL  71           H        VAL  71   1.656 -12.952  -8.364
  559    HA   VAL  71           HA       VAL  71   0.410 -10.890  -9.946
  560    HB   VAL  71           HB       VAL  71  -1.063 -11.857  -8.181
  561   1HG1  VAL  71          1HG1      VAL  71  -0.972 -11.112  -5.868
  562   2HG1  VAL  71          2HG1      VAL  71   0.799 -11.460  -6.435
  563   3HG1  VAL  71          3HG1      VAL  71   0.102  -9.871  -6.297
  564   1HG2  VAL  71          1HG2      VAL  71  -2.430  -9.786  -7.914
  565   2HG2  VAL  71          2HG2      VAL  71  -1.028  -8.854  -8.411
  566   3HG2  VAL  71          3HG2      VAL  71  -1.761  -9.953  -9.509
  567    H    ALA  72           H        ALA  72   2.376 -10.341  -7.140
  568    HA   ALA  72           HA       ALA  72   2.705  -7.529  -7.144
  569   1HB   ALA  72          1HB       ALA  72   5.075  -7.830  -6.185
  570   2HB   ALA  72          2HB       ALA  72   4.036  -9.316  -5.624
  571   3HB   ALA  72          3HB       ALA  72   5.311  -9.336  -6.927
  572    H    GLU  73           H        GLU  73   4.527  -9.878  -9.155
  573    HA   GLU  73           HA       GLU  73   6.044  -8.013 -10.583
  574   1HB   GLU  73          1HB       GLU  73   5.108 -10.932 -11.163
  575   2HB   GLU  73          2HB       GLU  73   5.976 -10.095 -12.341
  576   1HG   GLU  73          1HG       GLU  73   7.957  -9.941 -11.086
  577   2HG   GLU  73          2HG       GLU  73   7.247 -10.536  -9.592
  578    HE2  GLU  73           HE       GLU  73   8.331 -12.792 -12.794
  579    H    GLU  74           H        GLU  74   2.865  -9.367 -11.264
  580    HA   GLU  74           HA       GLU  74   2.668  -8.042 -13.761
  581   1HB   GLU  74          1HB       GLU  74   0.594  -8.618 -14.120
  582   2HB   GLU  74          2HB       GLU  74   1.329 -10.006 -13.199
  583   1HG   GLU  74          1HG       GLU  74  -0.033  -9.251 -11.231
  584   2HG   GLU  74          2HG       GLU  74  -0.682  -7.933 -12.150
  585    HE2  GLU  74           HE       GLU  74  -2.566  -8.380 -12.747
  586    H    TRP  75           H        TRP  75   1.142  -6.676 -10.744
  587    HA   TRP  75           HA       TRP  75   0.517  -4.025 -11.830
  588   1HB   TRP  75          1HB       TRP  75   1.669  -4.137  -9.049
  589   2HB   TRP  75          2HB       TRP  75   0.424  -3.238  -9.719
  590    HD1  TRP  75           HD       TRP  75   0.699  -5.800  -7.477
  591    HE1  TRP  75           1HE      TRP  75  -1.319  -7.322  -7.165
  592    HE3  TRP  75           3HE      TRP  75  -1.518  -4.834 -11.776
  593    HZ2  TRP  75           2HZ      TRP  75  -3.720  -7.732  -8.530
  594    HZ3  TRP  75           3HZ      TRP  75  -3.544  -5.798 -12.311
  595    HH2  TRP  75           HH       TRP  75  -4.713  -7.326 -10.783
  596    H    ASN  76           H        ASN  76   3.678  -5.085 -10.744
  597    HA   ASN  76           HA       ASN  76   5.154  -4.840 -12.686
  598   1HB   ASN  76          1HB       ASN  76   4.318  -2.936 -13.675
  599   2HB   ASN  76          2HB       ASN  76   4.450  -1.798 -12.312
  600   1HD2  ASN  76          1HD2      ASN  76   6.538  -0.743 -12.295
  601   2HD2  ASN  76          2HD2      ASN  76   7.883  -0.968 -13.582
  602    H    VAL  77           H        VAL  77   5.887  -5.921 -10.676
  603    HA   VAL  77           HA       VAL  77   8.050  -4.554  -9.071
  604    HB   VAL  77           HB       VAL  77   6.152  -6.534  -7.791
  605   1HG1  VAL  77          1HG1      VAL  77   7.792  -4.586  -6.512
  606   2HG1  VAL  77          2HG1      VAL  77   6.626  -5.689  -5.761
  607   3HG1  VAL  77          3HG1      VAL  77   7.982  -6.357  -6.681
  608   1HG2  VAL  77          1HG2      VAL  77   5.432  -3.578  -7.592
  609   2HG2  VAL  77          2HG2      VAL  77   4.564  -4.823  -8.440
  610   3HG2  VAL  77          3HG2      VAL  77   4.668  -4.955  -6.669
  611    H    GLU  78           H        GLU  78   9.192  -5.393 -10.447
  612    HA   GLU  78           HA       GLU  78  10.271  -8.138 -10.052
  613   1HB   GLU  78          1HB       GLU  78  11.903  -7.669 -11.806
  614   2HB   GLU  78          2HB       GLU  78  10.538  -6.745 -12.346
  615   1HG   GLU  78          1HG       GLU  78  11.621  -4.602 -11.517
  616   2HG   GLU  78          2HG       GLU  78  13.066  -5.479 -11.125
  617    HE2  GLU  78           HE       GLU  78  11.074  -4.216 -13.413
  618    H    ALA  79           H        ALA  79  10.189  -5.299  -8.423
  619    HA   ALA  79           HA       ALA  79  12.831  -5.598  -7.099
  620   1HB   ALA  79          1HB       ALA  79  13.244  -3.235  -7.083
  621   2HB   ALA  79          2HB       ALA  79  12.909  -3.789  -8.667
  622   3HB   ALA  79          3HB       ALA  79  11.626  -2.938  -7.900
  623    H    MET  80           H        MET  80  12.618  -5.706  -4.960
  624    HA   MET  80           HA       MET  80  10.568  -4.675  -3.269
  625   1HB   MET  80          1HB       MET  80  13.185  -6.458  -2.665
  626   2HB   MET  80          2HB       MET  80  12.611  -5.382  -1.413
  627   1HG   MET  80          1HG       MET  80  11.483  -7.598  -1.337
  628   2HG   MET  80          2HG       MET  80  10.362  -6.430  -1.387
  629   1HE   MET  80          1HE       MET  80   8.425  -7.377  -4.504
  630   2HE   MET  80          2HE       MET  80   8.401  -6.794  -2.801
  631   3HE   MET  80          3HE       MET  80   8.956  -5.761  -4.164
  632    HA   PRO  81           HA       PRO  81   9.182  -3.490  -2.680
  633   1HB   PRO  81          1HB       PRO  81   8.782  -2.917  -0.277
  634   2HB   PRO  81          2HB       PRO  81  10.195  -3.837  -0.775
  635   1HG   PRO  81          2HG       PRO  81  10.477  -1.085   0.310
  636   2HG   PRO  81          1HG       PRO  81  11.521  -2.487   0.380
  637   1HD   PRO  81          1HD       PRO  81  11.561  -0.261  -1.919
  638   2HD   PRO  81          2HD       PRO  81  12.854  -1.462  -1.367
  639    H    THR  82           H        THR  82   7.496  -2.982  -3.447
  640    HA   THR  82           HA       THR  82   7.276  -0.078  -4.380
  641    HB   THR  82           HB       THR  82   5.948  -2.593  -5.782
  642    HG1  THR  82           1HG      THR  82   8.334  -2.653  -5.897
  643   1HG2  THR  82          1HG2      THR  82   5.586  -1.195  -7.634
  644   2HG2  THR  82          2HG2      THR  82   4.806  -0.535  -6.139
  645   3HG2  THR  82          3HG2      THR  82   6.474   0.036  -6.711
  646    H    PHE  83           H        PHE  83   5.792   0.939  -3.931
  647    HA   PHE  83           HA       PHE  83   3.365   0.187  -2.395
  648   1HB   PHE  83          1HB       PHE  83   4.774   2.971  -2.852
  649   2HB   PHE  83          2HB       PHE  83   3.132   2.620  -2.111
  650    HD1  PHE  83           1HD      PHE  83   6.545   2.881  -1.463
  651    HD2  PHE  83           2HD      PHE  83   3.003   1.118   0.403
  652    HE1  PHE  83           1HE      PHE  83   7.854   2.406   0.598
  653    HE2  PHE  83           2HE      PHE  83   4.349   1.350   2.508
  654    HZ   PHE  83           HZ       PHE  83   6.436   1.751   2.606
  655    H    ILE  84           H        ILE  84   1.453   0.261  -3.391
  656    HA   ILE  84           HA       ILE  84   1.144   1.500  -6.129
  657    HB   ILE  84           HB       ILE  84   0.934  -1.424  -5.381
  658   1HG1  ILE  84          1HG1      ILE  84   1.337  -0.884  -8.250
  659   2HG1  ILE  84          2HG1      ILE  84   2.498  -0.061  -7.205
  660   1HG2  ILE  84          1HG2      ILE  84  -1.237  -0.262  -7.360
  661   2HG2  ILE  84          2HG2      ILE  84  -0.771  -1.932  -7.135
  662   3HG2  ILE  84          3HG2      ILE  84  -1.504  -1.159  -5.833
  663   1HD1  ILE  84          1HD1      ILE  84   1.992  -3.033  -6.706
  664   2HD1  ILE  84          2HD1      ILE  84   3.352  -2.308  -7.865
  665   3HD1  ILE  84          3HD1      ILE  84   3.243  -1.986  -6.102
  666    H    PHE  85           H        PHE  85  -0.699   2.172  -6.608
  667    HA   PHE  85           HA       PHE  85  -2.351   3.061  -4.282
  668   1HB   PHE  85          1HB       PHE  85  -1.061   4.795  -6.301
  669   2HB   PHE  85          2HB       PHE  85  -2.246   5.439  -5.303
  670    HD1  PHE  85           1HD      PHE  85   1.191   4.082  -5.499
  671    HD2  PHE  85           2HD      PHE  85  -1.590   6.176  -3.167
  672    HE1  PHE  85           1HE      PHE  85   3.016   4.298  -3.736
  673    HE2  PHE  85           2HE      PHE  85   0.244   6.634  -1.454
  674    HZ   PHE  85           HZ       PHE  85   2.516   5.427  -1.670
  675    H    LEU  86           H        LEU  86  -4.444   3.480  -4.663
  676    HA   LEU  86           HA       LEU  86  -5.647   3.247  -7.240
  677   1HB   LEU  86          1HB       LEU  86  -5.158   0.764  -5.886
  678   2HB   LEU  86          2HB       LEU  86  -6.576   1.214  -5.008
  679    HG   LEU  86           HG       LEU  86  -7.065  -0.293  -6.353
  680   1HD1  LEU  86          1HD1      LEU  86  -8.871   0.595  -7.910
  681   2HD1  LEU  86          2HD1      LEU  86  -8.673   1.749  -6.442
  682   3HD1  LEU  86          3HD1      LEU  86  -8.106   2.144  -8.050
  683   1HD2  LEU  86          1HD2      LEU  86  -6.690  -0.865  -8.624
  684   2HD2  LEU  86          2HD2      LEU  86  -6.182   0.643  -9.118
  685   3HD2  LEU  86          3HD2      LEU  86  -5.111  -0.197  -8.016
  686    H    LYS  87           H        LYS  87  -7.225   4.824  -7.026
  687    HA   LYS  87           HA       LYS  87  -8.580   5.747  -4.617
  688   1HB   LYS  87          1HB       LYS  87  -7.134   7.014  -6.547
  689   2HB   LYS  87          2HB       LYS  87  -8.635   6.870  -7.434
  690   1HG   LYS  87          1HG       LYS  87  -8.895   8.928  -6.597
  691   2HG   LYS  87          2HG       LYS  87 -10.053   8.007  -5.738
  692   1HD   LYS  87          1HD       LYS  87  -8.409   7.959  -3.692
  693   2HD   LYS  87          2HD       LYS  87  -7.295   8.933  -4.651
  694   1HE   LYS  87          1HE       LYS  87  -9.417  10.653  -4.986
  695   2HE   LYS  87          2HE       LYS  87 -10.227   9.597  -3.833
  696   1HZ   LYS  87          1HZ       LYS  87  -7.782  11.295  -3.497
  697   2HZ   LYS  87          2HZ       LYS  87  -9.311  11.429  -2.879
  698    H    ASP  88           H        ASP  88 -10.965   5.789  -4.645
  699    HA   ASP  88           HA       ASP  88 -12.745   4.150  -6.225
  700   1HB   ASP  88          1HB       ASP  88 -14.495   5.628  -5.552
  701   2HB   ASP  88          2HB       ASP  88 -13.477   5.400  -4.240
  702    HD2  ASP  88           HD       ASP  88 -12.523   8.691  -4.038
  703    H    GLY  89           H        GLY  89 -10.831   4.951  -8.069
  704   1HA   GLY  89          1HA       GLY  89 -12.561   5.463 -10.501
  705   2HA   GLY  89          2HA       GLY  89 -11.658   6.875 -10.093
  706    H    LYS  90           H        LYS  90 -10.428   3.832  -9.673
  707    HA   LYS  90           HA       LYS  90  -9.241   2.220 -10.593
  708   1HB   LYS  90          1HB       LYS  90  -8.953   3.962 -13.132
  709   2HB   LYS  90          2HB       LYS  90  -8.332   2.282 -13.009
  710   1HG   LYS  90          1HG       LYS  90 -10.369   1.300 -13.167
  711   2HG   LYS  90          2HG       LYS  90 -11.172   2.425 -12.111
  712   1HD   LYS  90          1HD       LYS  90 -11.427   4.067 -13.744
  713   2HD   LYS  90          2HD       LYS  90 -10.604   2.951 -14.934
  714   1HE   LYS  90          1HE       LYS  90 -12.437   1.238 -14.706
  715   2HE   LYS  90          2HE       LYS  90 -13.253   2.316 -13.495
  716   1HZ   LYS  90          1HZ       LYS  90 -13.009   2.847 -16.387
  717   2HZ   LYS  90          2HZ       LYS  90 -13.134   3.909 -15.249
  718    H    LEU  91           H        LEU  91  -6.817   1.768 -11.603
  719    HA   LEU  91           HA       LEU  91  -4.931   2.458  -9.674
  720   1HB   LEU  91          1HB       LEU  91  -4.619   0.719 -11.438
  721   2HB   LEU  91          2HB       LEU  91  -4.464   1.824 -12.709
  722    HG   LEU  91           HG       LEU  91  -2.519   2.817 -12.028
  723   1HD1  LEU  91          1HD1      LEU  91  -2.294   1.054  -9.635
  724   2HD1  LEU  91          2HD1      LEU  91  -0.872   1.636 -10.508
  725   3HD1  LEU  91          3HD1      LEU  91  -2.100   2.725  -9.784
  726   1HD2  LEU  91          1HD2      LEU  91  -1.069   0.383 -12.459
  727   2HD2  LEU  91          2HD2      LEU  91  -2.650  -0.283 -12.510
  728   3HD2  LEU  91          3HD2      LEU  91  -2.089   0.965 -13.702
  729    H    VAL  92           H        VAL  92  -4.328   4.397  -9.128
  730    HA   VAL  92           HA       VAL  92  -3.915   6.736 -10.881
  731    HB   VAL  92           HB       VAL  92  -3.536   8.152  -8.707
  732   1HG1  VAL  92          1HG1      VAL  92  -6.234   6.895  -9.157
  733   2HG1  VAL  92          2HG1      VAL  92  -5.914   8.534  -8.445
  734   3HG1  VAL  92          3HG1      VAL  92  -5.633   8.180 -10.144
  735   1HG2  VAL  92          1HG2      VAL  92  -4.918   5.840  -7.080
  736   2HG2  VAL  92          2HG2      VAL  92  -3.194   6.140  -7.200
  737   3HG2  VAL  92          3HG2      VAL  92  -4.260   7.481  -6.662
  738    H    ASP  93           H        ASP  93  -1.779   4.827  -8.499
  739    HA   ASP  93           HA       ASP  93   0.393   5.490 -10.439
  740   1HB   ASP  93          1HB       ASP  93  -0.089   7.440  -8.812
  741   2HB   ASP  93          2HB       ASP  93   0.618   6.460  -7.521
  742    HD2  ASP  93           HD       ASP  93   1.920   7.993  -7.247
  743    H    LYS  94           H        LYS  94   2.473   4.840  -9.323
  744    HA   LYS  94           HA       LYS  94   2.768   2.512  -7.424
  745   1HB   LYS  94          1HB       LYS  94   3.607   1.065  -9.022
  746   2HB   LYS  94          2HB       LYS  94   1.898   1.466  -9.202
  747   1HG   LYS  94          1HG       LYS  94   2.837   3.052 -11.254
  748   2HG   LYS  94          2HG       LYS  94   4.184   2.153 -11.209
  749   1HD   LYS  94          1HD       LYS  94   2.375   0.024 -11.110
  750   2HD   LYS  94          2HD       LYS  94   1.269   1.187 -11.841
  751   1HE   LYS  94          1HE       LYS  94   3.967   0.223 -12.774
  752   2HE   LYS  94          2HE       LYS  94   2.440  -0.368 -13.516
  753   1HZ   LYS  94          1HZ       LYS  94   3.314   1.281 -15.049
  754   2HZ   LYS  94          2HZ       LYS  94   3.590   2.329 -13.931
  755    H    THR  95           H        THR  95   4.918   2.475  -6.579
  756    HA   THR  95           HA       THR  95   7.068   4.088  -7.655
  757    HB   THR  95           HB       THR  95   5.770   5.217  -5.184
  758    HG1  THR  95           1HG      THR  95   5.467   5.890  -7.765
  759   1HG2  THR  95          1HG2      THR  95   8.192   5.560  -4.967
  760   2HG2  THR  95          2HG2      THR  95   8.188   6.160  -6.640
  761   3HG2  THR  95          3HG2      THR  95   7.381   7.098  -5.351
  762    H    VAL  96           H        VAL  96   8.759   3.526  -6.593
  763    HA   VAL  96           HA       VAL  96   8.795   1.317  -4.531
  764    HB   VAL  96           HB       VAL  96   8.638   0.340  -6.686
  765   1HG1  VAL  96          1HG1      VAL  96  10.912   2.024  -7.722
  766   2HG1  VAL  96          2HG1      VAL  96  10.312   0.596  -8.508
  767   3HG1  VAL  96          3HG1      VAL  96   9.277   1.935  -8.190
  768   1HG2  VAL  96          1HG2      VAL  96  10.401  -0.681  -4.934
  769   2HG2  VAL  96          2HG2      VAL  96  10.376  -1.155  -6.707
  770   3HG2  VAL  96          3HG2      VAL  96  11.660   0.046  -6.040
  771    H    GLY  97           H        GLY  97   9.800   1.844  -2.736
  772   1HA   GLY  97          1HA       GLY  97  12.509   3.005  -2.588
  773   2HA   GLY  97          2HA       GLY  97  11.350   4.321  -2.346
  774    H    ALA  98           H        ALA  98  12.210   4.590  -0.278
  775    HA   ALA  98           HA       ALA  98  10.936   3.368   2.047
  776   1HB   ALA  98          1HB       ALA  98  13.793   2.439   1.386
  777   2HB   ALA  98          2HB       ALA  98  13.053   2.405   3.005
  778   3HB   ALA  98          3HB       ALA  98  12.412   1.323   1.776
  779    H    ASP  99           H        ASP  99  10.645   5.405   2.436
  780    HA   ASP  99           HA       ASP  99  12.855   6.777   3.884
  781   1HB   ASP  99          1HB       ASP  99  12.981   7.731   1.373
  782   2HB   ASP  99          2HB       ASP  99  11.334   8.236   1.623
  783    HD2  ASP  99           HD       ASP  99  13.497  11.107   1.691
  784    H    LYS 100           H        LYS 100  12.093   7.835   5.444
  785    HA   LYS 100           HA       LYS 100   9.447   7.938   6.622
  786   1HB   LYS 100          1HB       LYS 100  10.193   9.267   8.481
  787   2HB   LYS 100          2HB       LYS 100  11.440   7.975   7.996
  788   1HG   LYS 100          1HG       LYS 100  12.373  10.122   6.470
  789   2HG   LYS 100          2HG       LYS 100  11.512  11.050   7.633
  790   1HD   LYS 100          1HD       LYS 100  12.521  10.253   9.668
  791   2HD   LYS 100          2HD       LYS 100  13.350   9.005   8.625
  792   1HE   LYS 100          1HE       LYS 100  14.748  11.050   7.687
  793   2HE   LYS 100          2HE       LYS 100  13.839  12.054   8.783
  794   1HZ   LYS 100          1HZ       LYS 100  15.435   9.669   9.594
  795   2HZ   LYS 100          2HZ       LYS 100  16.072  11.165   9.519
  796    H    ASP 101           H        ASP 101  10.934  10.846   5.161
  797    HA   ASP 101           HA       ASP 101   8.522  12.337   5.268
  798   1HB   ASP 101          1HB       ASP 101   9.654  14.225   4.391
  799   2HB   ASP 101          2HB       ASP 101  10.714  13.389   5.506
  800    HD2  ASP 101           HD       ASP 101  11.663  12.894   1.751
  801    H    GLY 102           H        GLY 102   9.962  10.258   2.962
  802   1HA   GLY 102          1HA       GLY 102   8.938  11.026   0.289
  803   2HA   GLY 102          2HA       GLY 102   9.502   9.553   0.665
  804    H    LEU 103           H        LEU 103   7.825   8.501   2.510
  805    HA   LEU 103           HA       LEU 103   5.501   7.762   0.891
  806   1HB   LEU 103          1HB       LEU 103   6.712   6.164   2.208
  807   2HB   LEU 103          2HB       LEU 103   6.397   7.059   3.681
  808    HG   LEU 103           HG       LEU 103   4.022   6.402   3.615
  809   1HD1  LEU 103          1HD1      LEU 103   3.360   4.630   1.822
  810   2HD1  LEU 103          2HD1      LEU 103   3.319   6.295   1.223
  811   3HD1  LEU 103          3HD1      LEU 103   4.720   5.200   0.838
  812   1HD2  LEU 103          1HD2      LEU 103   4.316   3.911   3.831
  813   2HD2  LEU 103          2HD2      LEU 103   5.904   4.081   3.120
  814   3HD2  LEU 103          3HD2      LEU 103   5.541   4.805   4.733
  815    HA   PRO 104           HA       PRO 104   2.790  10.747   4.082
  816   1HB   PRO 104          1HB       PRO 104   5.345  12.277   4.739
  817   2HB   PRO 104          2HB       PRO 104   3.862  12.148   5.646
  818   1HG   PRO 104          1HG       PRO 104   5.805  10.522   6.529
  819   2HG   PRO 104          2HG       PRO 104   4.268   9.777   6.332
  820   1HD   PRO 104          1HD       PRO 104   6.554   9.859   4.432
  821   2HD   PRO 104          2HD       PRO 104   5.623   8.406   5.058
  822    H    THR 105           H        THR 105   5.533  11.896   2.171
  823    HA   THR 105           HA       THR 105   4.122  14.287   1.144
  824    HB   THR 105           HB       THR 105   6.542  12.774  -0.028
  825    HG1  THR 105           1HG      THR 105   6.170  14.550   2.075
  826   1HG2  THR 105          1HG2      THR 105   5.675  14.227  -1.824
  827   2HG2  THR 105          2HG2      THR 105   5.088  15.471  -0.787
  828   3HG2  THR 105          3HG2      THR 105   6.891  15.331  -1.028
  829    H    LEU 106           H        LEU 106   4.954  11.367  -0.655
  830    HA   LEU 106           HA       LEU 106   3.274  11.298  -2.799
  831   1HB   LEU 106          1HB       LEU 106   5.233  10.091  -2.652
  832   2HB   LEU 106          2HB       LEU 106   4.793   9.042  -1.516
  833    HG   LEU 106           HG       LEU 106   2.945   7.986  -2.798
  834   1HD1  LEU 106          1HD1      LEU 106   3.089   8.114  -5.287
  835   2HD1  LEU 106          2HD1      LEU 106   2.933   9.747  -4.714
  836   3HD1  LEU 106          3HD1      LEU 106   4.544   9.059  -5.184
  837   1HD2  LEU 106          1HD2      LEU 106   4.282   6.416  -3.725
  838   2HD2  LEU 106          2HD2      LEU 106   5.786   7.459  -3.824
  839   3HD2  LEU 106          3HD2      LEU 106   5.030   6.630  -2.219
  840    H    VAL 107           H        VAL 107   2.330   9.958   0.270
  841    HA   VAL 107           HA       VAL 107  -0.518   9.319  -0.621
  842    HB   VAL 107           HB       VAL 107   0.958   9.146   1.959
  843   1HG1  VAL 107          1HG1      VAL 107  -1.342  10.083   2.727
  844   2HG1  VAL 107          2HG1      VAL 107  -2.150   8.640   1.974
  845   3HG1  VAL 107          3HG1      VAL 107  -0.883   8.596   3.404
  846   1HG2  VAL 107          1HG2      VAL 107   0.068   6.928   2.048
  847   2HG2  VAL 107          2HG2      VAL 107  -0.801   7.237   0.341
  848   3HG2  VAL 107          3HG2      VAL 107   1.003   7.292   0.534
  849    H    ALA 108           H        ALA 108   0.809  12.078   1.522
  850    HA   ALA 108           HA       ALA 108  -1.455  13.586   1.777
  851   1HB   ALA 108          1HB       ALA 108  -0.076  15.642   1.965
  852   2HB   ALA 108          2HB       ALA 108   0.704  14.250   2.803
  853   3HB   ALA 108          3HB       ALA 108   1.282  14.809   1.138
  854    H    LYS 109           H        LYS 109   0.868  13.813  -0.965
  855    HA   LYS 109           HA       LYS 109  -0.557  15.474  -2.741
  856   1HB   LYS 109          1HB       LYS 109   1.471  13.261  -3.395
  857   2HB   LYS 109          2HB       LYS 109   0.865  14.112  -4.689
  858   1HG   LYS 109          1HG       LYS 109   1.777  16.382  -3.742
  859   2HG   LYS 109          2HG       LYS 109   2.217  15.481  -2.324
  860   1HD   LYS 109          1HD       LYS 109   3.803  14.110  -3.226
  861   2HD   LYS 109          2HD       LYS 109   3.280  14.531  -5.025
  862   1HE   LYS 109          1HE       LYS 109   4.116  16.827  -4.873
  863   2HE   LYS 109          2HE       LYS 109   4.402  16.817  -3.159
  864   1HZ   LYS 109          1HZ       LYS 109   6.257  15.191  -3.440
  865   2HZ   LYS 109          2HZ       LYS 109   5.656  14.794  -4.975
  866    H    HIS 110           H        HIS 110  -1.074  12.033  -2.408
  867    HA   HIS 110           HA       HIS 110  -3.104  11.819  -4.598
  868   1HB   HIS 110          1HB       HIS 110  -1.680   9.964  -2.636
  869   2HB   HIS 110          2HB       HIS 110  -3.237   9.420  -3.289
  870    HD1  HIS 110           1HD      HIS 110  -2.983   9.688  -6.383
  871    HD2  HIS 110           2HD      HIS 110   0.273   8.995  -3.695
  872    HE1  HIS 110           1HE      HIS 110  -0.970   9.038  -7.652
  873    H    ALA 111           H        ALA 111  -3.236  11.327  -1.188
  874    HA   ALA 111           HA       ALA 111  -5.974  11.163  -0.737
  875   1HB   ALA 111          1HB       ALA 111  -5.635  11.443   1.499
  876   2HB   ALA 111          2HB       ALA 111  -4.056  10.698   1.057
  877   3HB   ALA 111          3HB       ALA 111  -4.198  12.412   1.162
  878    H    THR 112           H        THR 112  -4.379  14.222  -0.661
  879    HA   THR 112           HA       THR 112  -6.877  15.824  -0.129
  880    HB   THR 112           HB       THR 112  -4.143  16.769  -1.255
  881    HG1  THR 112           1HG      THR 112  -5.268  16.890   1.323
  882   1HG2  THR 112          1HG2      THR 112  -5.941  18.452  -1.684
  883   2HG2  THR 112          2HG2      THR 112  -6.388  18.405   0.046
  884   3HG2  THR 112          3HG2      THR 112  -4.792  19.082  -0.473
  885    H    ALA 113           H        ALA 113  -5.100  15.318  -3.272
  886    HA   ALA 113           HA       ALA 113  -7.104  16.686  -4.838
  887   1HB   ALA 113          1HB       ALA 113  -4.745  15.075  -5.766
  888   2HB   ALA 113          2HB       ALA 113  -5.724  16.039  -6.920
  889   3HB   ALA 113          3HB       ALA 113  -4.749  16.875  -5.630
  890    HXT  ALA 113           HO       ALA 113  -9.321  14.166  -5.157