*HEADER    MEMBRANE PROTEIN                        27-JAN-12   2LOU              
*TITLE     AR55 SOLUBILISED IN DPC MICELLES                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: APELIN RECEPTOR;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-55;                                         
*COMPND   5 SYNONYM: ANGIOTENSIN RECEPTOR-LIKE 1, G-PROTEIN COUPLED RECEPTOR APJ,
*COMPND   6 G-PROTEIN COUPLED RECEPTOR HG11;                                     
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: APLNR, AGTRL1, APJ;                                            
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PEXP5-CT                                   
*KEYWDS    MEMBRANE PROTEIN                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    40                                                                    
*AUTHOR    D.N.LANGELAAN, J.K.RAINEY                                             
*REVDAT   1   16-JAN-13 2LOU    0                                                


!!!!13C filtered NOESY

assign   (resid     48 and name   HB*)         (resid     48 and name  HD**)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     39 and name   HD*)   3.900   2.100   2.100
assign   (resid     41 and name    HG)         (resid     41 and name    HN)   3.400   1.600   1.600
assign   (resid     58 and name   HA*)         (resid     58 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     55 and name    HA)   3.400   1.600   1.600
assign   (resid   29 and name HB*) 
         ((resid   32 and name HB*) or (resid   30 and name HB*))
         3.900 2.100 2.100 ! incr to 6.0 after round 8. (28 viol avg 0.094)
assign   (resid     49 and name    HB)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign ((resid   21 and name HE*) or (resid   10 and name HE*))
       ((resid   24 and name HN) or (resid   9 and name HN))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign   (resid     30 and name   HB*)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name    HA)         (resid     39 and name   HB*)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     34 and name  HD1*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name   HE3)   3.400   1.600   1.600
assign (resid   20 and name HA) (resid   20 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 6. (51 viol avg 0.137)
assign   (resid     31 and name  HD1*)         (resid     32 and name   HD*)   3.400   1.600   1.600
assign   (resid     24 and name   HH2)         (resid     24 and name   HZ3)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     54 and name    HA)   3.400   1.600   1.600
assign   (resid     55 and name   HD*)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid     61 and name   HB*)         (resid     61 and name   HD2)   2.900   1.100   1.100
assign   (resid     34 and name  HD1*)         (resid     34 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name  HG1*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     54 and name   HB*)   3.400   1.600   1.600
assign   (resid     31 and name  HD1*)         (resid     29 and name    HA)   3.900   2.100   2.100
assign   (resid     34 and name  HG1*)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     56 and name   HE*)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     11 and name   HB*)   2.300   0.500   0.500
assign   (resid     30 and name    HG)         (resid     30 and name  HD**)   2.900   1.100   1.100
assign   (resid     41 and name    HG)         (resid     41 and name    HA)   2.900   1.100   1.100
assign   (resid     37 and name  HD**)         (resid     37 and name   HB*)   2.900   1.100   1.100
assign   (resid     35 and name    HA)         (resid     35 and name   HD*)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         
         ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
         2.900   1.100   1.100
assign  ((resid   18 and name HA) or (resid   16 and name HA))
        (resid   19 and name HB*)  
        3.400 1.600 1.600 ! incr to 5.0 after round 10. (26 viol avg 0.079)
assign   (resid     26 and name    HA)         (resid     26 and name   HB*)   2.300   0.500   0.500
assign   (resid     48 and name   HB*)         (resid     48 and name  HD**)   3.400   1.600   1.600
assign   (resid     24 and name    HN)         (resid     24 and name    HA)   2.900   1.100   1.100
assign   (resid     64 and name   HB*)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name    HA)         (resid     16 and name   HG*)   2.900   1.100   1.100
assign   (resid     27 and name   HB*)         (resid     27 and name    HA)   2.900   1.100   1.100
assign   (resid   38 and name HG**) 
         ((resid   37 and name HG) or (resid   37 and name HB*))
         2.900 1.100 1.100 ! incr to 5.0 after round 9. (35 viol avg 0.090)
assign   (resid     31 and name    HB)         (resid     31 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         
         ((resid     49 and name    HA)   or   (resid     52 and name    HA))
         3.400   1.600   1.600
assign   ((resid     31 and name  HG2*)   or   (resid     38 and name  HG**)   or   (resid     34 and name  HG2*))
         (resid     35 and name   HE*)   
         3.900   2.100   2.100
assign   (resid     53 and name    HB)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     21 and name   HE*)         (resid     20 and name    HN)   3.900   2.100   2.100
assign   (resid     55 and name   HD*)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid     44 and name    HB)         (resid     44 and name  HG2*)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     47 and name   HA*)   3.900   2.100   2.100
assign   ((resid   24 and name HH2) or (resid   11 and name HD*))
         ((resid   24 and name HA) or (resid   11 and name HA))  
         3.900 2.100 2.100 ! incr to 6.0 after round 2. (99 viol avg 1.533)
assign   (resid     55 and name   HB*)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name   HD*)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name   HB*)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     58 and name    HN)   2.300   0.500   0.500
assign   (resid     62 and name   HB*)         (resid     62 and name   HD2)   2.900   1.100   1.100
assign   (resid     24 and name    HA)         (resid     24 and name   HB*)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     22 and name    HB)   2.900   1.100   1.100
assign   (resid      6 and name    HA)         (resid      6 and name    HN)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     52 and name    HB)   3.400   1.600   1.600
assign   (resid     34 and name  HG1*)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     51 and name   HE3)   3.900   2.100   2.100
assign   (resid     48 and name   HB*)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   ((resid     35 and name    HA)   or   (resid     33 and name   HA)) 
         (resid     36 and name   HG*) 
         3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     15 and name    HA)   2.300   0.500   0.500
assign   (resid     36 and name   HG*)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     36 and name    HA)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name    HB)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     28 and name   HA*)   3.900   2.100   2.100
assign   (resid     21 and name   HE*)         (resid     21 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name    HA)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     49 and name    HA)         (resid     50 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HB*)         (resid     25 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     22 and name    HB)   2.900   1.100   1.100
assign   (resid     62 and name   HB*)         (resid     62 and name    HN)   3.400   1.600   1.600
assign   (resid     16 and name   HG*)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid   13 and name HB*) 
         ((resid   11 and name HE*) or (resid   9 and name HD2*))
         3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign   (resid     55 and name   HD*)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     33 and name   HB*)   3.400   1.600   1.600
!assign   ((resid   6 and name HA) or (resid   9 and name HA))
!         ((resid   7 and name HB*) or (resid   11 and name HB*))
!         3.400 1.600 1.600 ! incr to 5.0 after round 7. (61 viol avg 0.098)
assign   (resid     59 and name    HA)         (resid     59 and name   HB*)   2.300   0.500   0.500
assign (resid   31 and name HG2*) (resid   32 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (28 viol avg 0.159)
!assign (resid   37 and name HB*) (resid   35 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign   (resid     34 and name    HN)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)         (resid     34 and name    HB)   3.400   1.600   1.600
assign   (resid     34 and name  HG1*)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     57 and name   HD*)   2.300   0.500   0.500
assign   (resid     55 and name    HA)         (resid     54 and name    HA)   3.400   1.600   1.600
assign   (resid     36 and name    HA)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      3 and name    HA)   2.300   0.500   0.500
assign   (resid     54 and name   HB*)         (resid     54 and name   HD*)   3.400   1.600   1.600
assign   (resid     10 and name   HD*)         (resid     10 and name    HA)   3.400   1.600   1.600
assign   (resid     39 and name    HN)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     14 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     11 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     36 and name    HA)         (resid     36 and name   HB*)   2.900   1.100   1.100
assign   (resid     35 and name    HA)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     10 and name    HA)         (resid     10 and name   HB*)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      4 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name    HA)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   (resid     26 and name   HB*)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name   HB*)   3.900   2.100   2.100
assign   (resid     25 and name   HG*)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid   41 and name HG) 
         ((resid   37 and name HN) or (resid   42 and name HN))
  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign   (resid     50 and name  HD**)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     25 and name   HB*)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     64 and name   HB*)         (resid     64 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     39 and name   HB*)   3.900   2.100   2.100
assign   (resid      2 and name   HB*)         (resid      2 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name   HH2)         (resid     24 and name   HZ2)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     60 and name    HA)   2.300   0.500   0.500
assign   (resid     48 and name   HB*)         (resid     47 and name   HA*)   3.400   1.600   1.600
assign   ((resid     34 and name    HA)   or   (resid     32 and name   HD*))
         (resid     33 and name   HB*)   
         3.400   1.600   1.600
assign   (resid     19 and name    HA)         (resid     19 and name    HN)   2.900   1.100   1.100
assign   (resid      2 and name   HB*)         (resid      2 and name   HG*)   2.300   0.500   0.500
assign   (resid     58 and name    HN)         (resid     56 and name    HA)   2.900   1.100   1.100
assign   (resid     12 and name   HA*)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   (resid     21 and name   HB*)         (resid     21 and name    HA)   2.900   1.100   1.100
assign   (resid     44 and name    HB)         (resid     44 and name  HG2*)   2.300   0.500   0.500
assign   (resid     41 and name    HN)         (resid     41 and name    HA)   3.400   1.600   1.600
assign   (resid     52 and name    HA)         (resid     52 and name    HB)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign   (resid     31 and name    HB)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     49 and name    HN)   3.400   1.600   1.600
assign   (resid     29 and name   HB*)         (resid     30 and name  HD**)   3.400   1.600   1.600
assign   (resid   31 and name HD1*) 
         ((resid   33 and name HA) or (resid   30 and name HA))  
  3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign   (resid     41 and name   HB*)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     37 and name    HG)   3.400   1.600   1.600
assign   (resid     35 and name    HA)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name    HG)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HB)   2.900   1.100   1.100
assign (resid   33 and name HA) (resid   36 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 3. (57 viol avg 0.738)
assign   (resid     55 and name   HB*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     27 and name    HA)         (resid     28 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name    HA)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     59 and name   HB*)         (resid     59 and name   HD2)   3.400   1.600   1.600
assign   (resid     50 and name    HA)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid     12 and name   HA*)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     43 and name    HA)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     37 and name  HD**)   3.400   1.600   1.600
assign   (resid     57 and name   HE*)         (resid     57 and name    HA)   3.400   1.600   1.600
assign   (resid     41 and name    HA)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid   35 and name HD*) 
         ((resid   31 and name HN) or (resid   36 and name HN))
   3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign   (resid     38 and name  HG**)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     34 and name    HB)   3.400   1.600   1.600
assign   (resid     43 and name    HA)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     63 and name    HA)         (resid     63 and name   HB*)   2.300   0.500   0.500
assign   ((resid      3 and name   HB*)   or   (resid      2 and name   HB*))
         (resid      3 and name    HN)   
         2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid      1 and name   HB*)         (resid      2 and name    HN)   3.400   1.600   1.600
assign   (resid     57 and name   HG*)         (resid     59 and name    HN)   3.400   1.600   1.600
assign   (resid     55 and name    HA)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     52 and name  HG2*)   2.300   0.500   0.500
assign   (resid     27 and name   HB*)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     60 and name    HA)   2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     11 and name    HN)   2.300   0.500   0.500
assign   (resid     32 and name   HB*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name   HE*)         
         ((resid     39 and name    HN)   or   (resid     35 and name    HN))
   3.900   2.100   2.100
assign   (resid     48 and name  HD**)         (resid     51 and name    HA)   3.900   2.100   2.100
assign (resid   13 and name HB*) (resid   12 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (30 viol avg 0.112)
assign   (resid      2 and name   HB*)         (resid      2 and name   HG*)   2.300   0.500   0.500
assign   (resid     38 and name  HG**)         (resid     35 and name    HA)   3.400   1.600   1.600
assign   (resid     60 and name   HB*)         (resid     60 and name    HN)   3.400   1.600   1.600
assign   (resid     20 and name    HA)         (resid     22 and name    HN)   3.400   1.600   1.600
assign   (resid      7 and name   HB*)         (resid      7 and name   HD*)   2.900   1.100   1.100
assign   (resid     17 and name    HA)         (resid     18 and name    HN)   2.300   0.500   0.500
assign   ((resid     31 and name  HN)   or   (resid     34 and name    HN)) 
         (resid     30 and name  HD**) 
         3.400   1.600   1.600
assign   (resid     44 and name    HA)         (resid     45 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name    HN)         (resid     18 and name   HB*)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     13 and name   HB*)   3.400   1.600   1.600
assign   (resid     38 and name    HA)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid     41 and name   HB*)         (resid     39 and name    HN)   3.400   1.600   1.600
!assign (resid   25 and name HB*) (resid   23 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 3. (62 viol avg 0.685)
assign   (resid     33 and name   HB*)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name    HA)         (resid     30 and name  HD**)   2.900   1.100   1.100
assign   (resid     32 and name   HB*)         (resid     32 and name   HD*)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     31 and name  HG2*)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         (resid     30 and name  HD**)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     35 and name   HE*)   2.900   1.100   1.100
assign   (resid     37 and name    HG)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     52 and name  HG2*)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name   HE3)   3.400   1.600   1.600
assign   (resid      8 and name   HB*)         (resid      8 and name    HA)   2.900   1.100   1.100
assign   ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
         (resid     33 and name   HB*)   
         3.400   1.600   1.600
assign   (resid      2 and name    HA)         (resid      2 and name   HG*)   2.300   0.500   0.500
assign   (resid     36 and name    HA)         (resid     36 and name   HB*)   2.900   1.100   1.100
assign   (resid     64 and name    HN)         (resid     64 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     54 and name    HN)   3.400   1.600   1.600
assign   (resid     19 and name    HA)         (resid     20 and name   HG*)   2.900   1.100   1.100
assign   (resid   37 and name HB*) 
         ((resid   33 and name HB*) or (resid   34 and name HG1*))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (50 viol avg 0.130)
assign   (resid     14 and name    HA)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   (resid     57 and name   HG*)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     48 and name    HN)   3.400   1.600   1.600
assign   (resid     56 and name   HE*)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     18 and name    HA)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     16 and name    HA)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign (resid   21 and name HN) (resid   21 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 6. (77 viol avg 0.119)
assign   (resid     48 and name   HB*)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     63 and name   HB*)         (resid     63 and name   HD2)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name  HH**)   3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   2.900   1.100   1.100
assign   (resid     18 and name   HB*)         (resid     18 and name   HG*)   2.300   0.500   0.500
assign   (resid     53 and name    HB)         (resid     53 and name    HA)   2.900   1.100   1.100
assign (resid   44 and name HB) (resid   41 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (66 viol avg 0.252)
assign   (resid     55 and name   HB*)         (resid     55 and name   HG*)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     53 and name    HA)   3.400   1.600   1.600
assign   (resid     55 and name   HG*)         (resid     56 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name    HA)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     54 and name    HA)   3.900   2.100   2.100
assign   (resid     62 and name   HB*)         (resid     62 and name   HD2)   2.900   1.100   1.100
assign   (resid     53 and name    HB)         (resid     50 and name    HA)   3.400   1.600   1.600
assign   (resid     16 and name   HG*)         (resid     16 and name  HE2*)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     30 and name    HN)   3.400   1.600   1.600
assign   (resid     29 and name   HB*)         (resid     28 and name    HN)   3.900   2.100   2.100
assign   (resid     49 and name  HG**)         (resid     46 and name    HA)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
!assign (resid   36 and name HB*) (resid   39 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (63 viol avg 0.643)
assign   (resid     49 and name  HG**)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid     62 and name   HB*)         (resid     62 and name   HD2)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name   HD*)         (resid     56 and name   HB*)   2.300   0.500   0.500
assign   (resid     36 and name    HA)         (resid     36 and name   HE*)   3.400   1.600   1.600
assign   (resid     32 and name   HB*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name    HN)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign (resid   34 and name HA) (resid   37 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (92 viol avg 0.322)
assign   (resid     61 and name   HB*)         (resid     61 and name   HD2)   2.900   1.100   1.100
assign   (resid      7 and name   HD*)         (resid      7 and name    HN)   3.900   2.100   2.100
assign   (resid     30 and name   HB*)         (resid     30 and name  HD**)   2.900   1.100   1.100
assign   (resid     40 and name    HA)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     53 and name    HA)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   ((resid   52 and name HG2*) or (resid   44 and name HG2*))
         ((resid   51 and name HD1)  or (resid   39 and name HE*))
  3.400 1.600 1.600 ! incr to 6.0 after round 3. (83 viol avg 0.599)
assign   ((resid   52 and name HG2*) or (resid   55 and name HG*))
         ((resid   56 and name HE*) or (resid   57 and name HE*))
         3.400 1.600 1.600 ! incr to 5.0 after round 8. (29 viol avg 0.203)
assign   (resid      8 and name    HA)         (resid     10 and name    HN)   2.900   1.100   1.100
assign   (resid     14 and name    HA)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   ((resid   11 and name HA) or (resid   8 and name HA))
         (resid   11 and name HE*) 
   3.900 2.100 2.100 ! incr to 6.0 after round 4. (51 viol avg 0.481)
assign (resid   29 and name HA) 
       ((resid   30 and name HG) or (resid   30 and name HB*))
        3.400 1.600 1.600 ! incr to 5.0 after round 3. (61 viol avg 0.555)
assign   (resid     29 and name   HB*)         (resid     29 and name    HA)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      3 and name   HG*)   2.300   0.500   0.500
assign   (resid     22 and name  HG2*)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name  HG2*)         (resid     35 and name   HB*)   3.900   2.100   2.100
assign   (resid     50 and name  HD**)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     21 and name   HB*)   2.900   1.100   1.100
!assign (resid   51 and name HA) (resid   51 and name HZ2)  3.900 2.100 2.100 ! could be commented out due to major violation after round 2
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     37 and name  HD**)         (resid     37 and name    HN)   3.400   1.600   1.600
assign   (resid     59 and name   HB*)         (resid     59 and name   HD2)   2.900   1.100   1.100
assign (resid   30 and name HD**) (resid   33 and name HB*)  2.900 1.100 1.100 ! incr to 5.0 after round 2. (72 viol avg 1.049)
assign (resid   16 and name HA) (resid   16 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (86 viol avg 0.094)
assign   (resid     56 and name   HG*)         (resid     56 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name    HA)         (resid     42 and name   HA*)   3.400   1.600   1.600
assign   (resid     36 and name    HA)         (resid     39 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name   HE*)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name   HB*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid     41 and name    HG)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     30 and name  HD**)   3.900   2.100   2.100
assign   (resid     51 and name   HB*)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign   (resid     43 and name  HG2*)         (resid     39 and name   HE*)   3.400   1.600   1.600
assign   (resid     37 and name  HD**)         (resid     37 and name   HB*)   2.900   1.100   1.100
assign   (resid     31 and name  HD1*)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid      4 and name    HN)         (resid      3 and name   HG*)   2.900   1.100   1.100
assign   (resid     61 and name   HD2)         (resid     61 and name    HA)   2.300   0.500   0.500
assign   (resid     50 and name   HB*)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     57 and name   HD*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name    HB)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         
         ((resid     27 and name   HB*)   or   (resid     28 and name   HA*))
   3.400   1.600   1.600
assign   (resid     53 and name    HA)         (resid     56 and name   HB*)   3.400   1.600   1.600
assign   (resid     41 and name    HG)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   2.900   1.100   1.100
assign   (resid      2 and name    HA)         (resid      3 and name    HN)   2.300   0.500   0.500
assign   (resid     11 and name   HB*)         (resid     11 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name   HE3)         (resid     52 and name  HG2*)   3.900   2.100   2.100
assign   (resid     52 and name    HB)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     20 and name    HN)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign   (resid     34 and name  HD1*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     37 and name  HD**)         (resid     37 and name   HB*)   2.900   1.100   1.100
!assign (resid   10 and name HB*) (resid   11 and name HD*)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (63 viol avg 0.288)
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.300   0.500   0.500
assign   (resid     59 and name   HB*)         (resid     59 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HG)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     19 and name   HB*)         (resid     19 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     32 and name   HB*)         (resid     32 and name   HD*)   3.400   1.600   1.600
assign   (resid     48 and name   HB*)         (resid     47 and name   HA*)   3.400   1.600   1.600
assign   (resid     22 and name  HG2*)         (resid     22 and name    HN)   2.900   1.100   1.100
assign (resid   43 and name HA) (resid   43 and name HB)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (45 viol avg 0.180)
assign   (resid     32 and name   HD*)         (resid     29 and name    HA)   2.900   1.100   1.100
assign   ((resid     33 and name  HA)   or   (resid     30 and name    HA))
         (resid     34 and name  HD1*)   
         3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.300   0.500   0.500
assign   (resid   49 and name HA) 
         ((resid   50 and name HG) or (resid   51 and name HE1))
         3.900 2.100 2.100 ! incr to 6.0 after round 9. (34 viol avg 0.086)
assign   (resid     61 and name   HB*)         (resid     61 and name    HA)   2.300   0.500   0.500
assign   (resid     31 and name  HG1*)         (resid     27 and name   HB*)   3.400   1.600   1.600
assign   (resid     50 and name    HA)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name    HA)         (resid     56 and name   HD*)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   2.900   1.100   1.100
assign   (resid     29 and name    HA)         (resid     26 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         
         ((resid     57 and name    HA)   or   (resid     54 and name    HA))
   3.400   1.600   1.600
!assign (resid   54 and name HA) (resid   55 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (53 viol avg 0.264)
assign   (resid     24 and name   HZ3)         (resid     24 and name   HE3)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     50 and name    HN)   3.400   1.600   1.600
assign   (resid     25 and name   HD*)         (resid     25 and name   HE*)   2.900   1.100   1.100
assign   (resid     33 and name    HA)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     48 and name  HD**)   2.900   1.100   1.100
assign   (resid     47 and name   HA*)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid      8 and name   HB*)         (resid      8 and name    HN)   2.300   0.500   0.500
assign   (resid     40 and name  HD**)         (resid     40 and name   HB*)   3.400   1.600   1.600
assign   (resid     36 and name    HA)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name    HG)   2.900   1.100   1.100
assign   (resid     18 and name    HA)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     56 and name   HG*)         (resid     56 and name   HD*)   2.300   0.500   0.500
assign   (resid     12 and name   HA*)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   ((resid   32 and name HB*) or (resid   32 and name HG*) or (resid   36 and name HB*))
         (resid   33 and name HA)  
  2.900 1.100 1.100 ! incr to 5.0 after round 6. (84 viol avg 0.206)
assign   (resid     56 and name    HA)         (resid     56 and name   HD*)   2.900   1.100   1.100
assign   (resid     31 and name  HD1*)         (resid     27 and name   HB*)   3.400   1.600   1.600
assign   (resid     54 and name   HB*)         (resid     53 and name    HB)   3.400   1.600   1.600
assign   (resid     27 and name   HB*)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HE*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     33 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     51 and name   HE3)         (resid     51 and name   HZ3)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     59 and name   HD2)   3.400   1.600   1.600
assign   (resid     40 and name  HD**)         (resid     37 and name    HN)   3.400   1.600   1.600
assign   (resid     30 and name    HA)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     51 and name   HZ2)   3.900   2.100   2.100
assign   (resid     20 and name    HA)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     51 and name   HZ3)   3.900   2.100   2.100
assign   (resid     27 and name   HB*)         (resid     28 and name    HN)   2.900   1.100   1.100
assign   (resid     32 and name   HB*)         (resid     32 and name   HG*)   2.300   0.500   0.500
assign   (resid   35 and name HE*) 
         ((resid   38 and name HB) or (resid   32 and name HG*) or (resid   36 and name HB*))
    3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign   (resid     64 and name   HB*)         (resid     64 and name    HA)   2.900   1.100   1.100
assign   (resid     44 and name    HA)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     60 and name    HA)   2.300   0.500   0.500
assign   (resid     39 and name   HD*)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     57 and name   HG*)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     21 and name    HA)   2.300   0.500   0.500
assign   (resid     41 and name    HN)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign   (resid     31 and name  HG1*)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     44 and name    HN)   3.400   1.600   1.600
assign   (resid     36 and name    HA)         (resid     36 and name   HB*)   2.900   1.100   1.100
assign   (resid     21 and name   HE*)         (resid     21 and name   HD*)   2.300   0.500   0.500
assign   (resid     56 and name   HE*)         (resid     56 and name   HB*)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     61 and name   HB*)         (resid     61 and name    HN)   3.400   1.600   1.600
assign   (resid      3 and name    HA)         (resid      3 and name   HG*)   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid     10 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     49 and name    HA)         (resid     52 and name  HG2*)   3.400   1.600   1.600
assign   (resid     50 and name    HA)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid      8 and name    HA)         (resid      8 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name   HG*)         (resid     56 and name   HD*)   2.300   0.500   0.500
assign   (resid     49 and name    HB)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   (resid     62 and name   HB*)         (resid     62 and name    HA)   2.300   0.500   0.500
assign   (resid     56 and name    HA)         (resid     56 and name   HG*)   3.400   1.600   1.600
assign   (resid     52 and name    HA)         (resid     52 and name  HG2*)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     43 and name    HB)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     40 and name    HG)   3.900   2.100   2.100
assign   (resid     41 and name   HB*)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign   ((resid   20 and name HA) or (resid   57 and name HA))
         ((resid   19 and name HB*) or (resid   55 and name HD*) or (resid   21 and name HB*))
        3.900 2.100 2.100 ! incr to 6.0 after round 9. (25 viol avg 0.119)
assign   (resid     47 and name   HA*)         (resid     47 and name    HN)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     49 and name    HN)   3.400   1.600   1.600
assign   (resid     46 and name  HD2*)         (resid     44 and name  HG2*)   3.900   2.100   2.100
assign   (resid     11 and name   HB*)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid     37 and name    HG)         (resid     33 and name   HB*)   2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     11 and name   HB*)   2.300   0.500   0.500
assign   (resid     52 and name  HG2*)         (resid     53 and name    HA)   3.400   1.600   1.600
assign   (resid     39 and name    HN)         (resid     40 and name   HB*)   3.400   1.600   1.600
assign   (resid     49 and name    HB)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   (resid     37 and name  HD**)         (resid     37 and name   HB*)   2.900   1.100   1.100
assign   (resid     37 and name  HD**)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     26 and name   HB*)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign (resid   11 and name HB*) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (59 viol avg 0.091)
assign (resid   21 and name HN) (resid   20 and name HG*)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (69 viol avg 0.099)
assign   (resid     38 and name    HB)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign   (resid     35 and name   HD*)         (resid     32 and name    HA)   3.400   1.600   1.600
assign   (resid     55 and name   HD*)         (resid     55 and name    HE)   3.400   1.600   1.600
assign   (resid     32 and name   HG*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   ((resid   12 and name HN) or (resid   11 and name HN)) 
  (resid   13 and name HA)  
  3.400 1.600 1.600 ! incr to 5.0 after round 4. (64 viol avg 0.403)
assign   (resid     31 and name  HD1*)         (resid     31 and name    HB)   3.400   1.600   1.600
assign   (resid      3 and name    HA)         (resid      4 and name    HN)   2.300   0.500   0.500
assign   (resid     16 and name    HA)         (resid     16 and name   HG*)   2.300   0.500   0.500
assign   (resid     35 and name    HA)         (resid     31 and name  HG2*)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     52 and name  HG2*)   3.400   1.600   1.600
assign   (resid     30 and name    HA)         (resid     30 and name  HD**)   3.400   1.600   1.600
assign   (resid     37 and name    HG)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name   HE*)   3.400   1.600   1.600
assign   (resid     36 and name   HB*)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   (resid     56 and name    HA)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name    HA)   2.900   1.100   1.100
assign (resid   40 and name HA) (resid   44 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (53 viol avg 0.173)
assign   (resid     30 and name    HA)         (resid     30 and name  HD**)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name  HD1*)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     20 and name    HA)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     48 and name    HG)         (resid     48 and name    HN)   2.900   1.100   1.100
assign (resid   10 and name HB*) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (33 viol avg 0.175)
assign   (resid     20 and name    HA)         (resid     20 and name   HG*)   2.900   1.100   1.100
assign   (resid     34 and name  HG1*)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      7 and name    HN)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     39 and name    HN)   3.900   2.100   2.100
assign   (resid     38 and name  HG**)         (resid     39 and name    HA)   3.900   2.100   2.100
assign   (resid     54 and name    HA)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid     26 and name   HB*)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     46 and name   HB*)         (resid     46 and name    HN)   2.900   1.100   1.100
assign   ((resid   32 and name HB*) or (resid   32 and name HG*))
         (resid   29 and name HA)  
         3.400 1.600 1.600 ! incr to 5.0 after round 9. (34 viol avg 0.114)
assign   (resid     15 and name   HB*)         (resid     15 and name    HA)   2.300   0.500   0.500
assign   (resid      2 and name   HB*)         (resid      2 and name    HA)   2.300   0.500   0.500
!assign (resid   38 and name HB) (resid   40 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign   ((resid   24 and name HZ3) or (resid   10 and name HD*))
         ((resid   11 and name HA) or (resid   24 and name HA))
   3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign   (resid     64 and name   HB*)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name  HD**)         (resid     50 and name    HG)   2.300   0.500   0.500
assign (resid   34 and name HA) (resid   37 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (92 viol avg 0.322)
assign   (resid     50 and name    HA)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     11 and name   HE*)         (resid     11 and name   HD*)   2.300   0.500   0.500
assign   (resid     35 and name   HD*)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     35 and name   HD*)         (resid     35 and name   HE*)   2.900   1.100   1.100
assign   (resid     56 and name   HG*)         (resid     56 and name   HD*)   2.300   0.500   0.500
assign   (resid     31 and name  HD1*)         (resid     28 and name   HA*)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     36 and name   HB*)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      3 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     18 and name    HN)   3.400   1.600   1.600
assign   (resid     22 and name  HG2*)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name   HD*)   2.900   1.100   1.100
assign ((resid   18 and name HA) or (resid   16 and name HA))
  (resid   19 and name HB*)  
   3.400 1.600 1.600 ! incr to 5.0 after round 10. (26 viol avg 0.079)
assign   (resid     61 and name   HB*)         (resid     61 and name    HA)   2.300   0.500   0.500
assign   (resid     34 and name  HD1*)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   (resid     10 and name   HB*)         (resid     10 and name   HE*)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     54 and name   HD*)   3.900   2.100   2.100
assign   (resid     59 and name    HA)         (resid     59 and name   HB*)   2.300   0.500   0.500
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   ((resid   34 and name HG2*) or (resid   31 and name HG2*))
         (resid   32 and name HA)  
  3.900 2.100 2.100 ! could be commented out due to major violation after round 6
assign   (resid     49 and name    HN)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name    HE)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     34 and name  HD1*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     25 and name   HD*)         (resid     25 and name   HE*)   2.300   0.500   0.500
assign   (resid     28 and name   HA*)         (resid     28 and name    HN)   2.300   0.500   0.500
assign (resid   20 and name HA) (resid   21 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (56 viol avg 0.078)
assign   (resid     52 and name  HG2*)         (resid     53 and name    HA)   3.900   2.100   2.100
assign   (resid     37 and name   HB*)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     34 and name  HG1*)         (resid     34 and name    HN)   2.900   1.100   1.100
assign (resid   26 and name HA) (resid   26 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (35 viol avg 0.073)
assign   (resid     14 and name    HN)         (resid     14 and name    HA)   2.300   0.500   0.500
assign   (resid     50 and name   HB*)         (resid     50 and name    HG)   2.300   0.500   0.500
assign   (resid     51 and name   HZ2)         (resid     51 and name   HH2)   2.900   1.100   1.100
assign   ((resid     57 and name   HE*)   or   (resid     56 and name   HE*))
         ((resid     57 and name   HD*)   or   (resid     56 and name   HD*))
   2.300   0.500   0.500
assign   (resid     10 and name   HD*)         (resid     10 and name   HB*)   2.900   1.100   1.100
assign   (resid     51 and name   HZ2)         (resid     51 and name   HH2)   2.900   1.100   1.100
assign   (resid     18 and name    HA)         (resid     21 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name    HG)   2.300   0.500   0.500
assign   (resid     25 and name   HG*)         (resid     25 and name   HD*)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         (resid     30 and name  HD**)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     12 and name   HA*)   2.900   1.100   1.100
assign   (resid     54 and name   HD*)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     52 and name  HG2*)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name    HN)   3.400   1.600   1.600
assign   (resid     46 and name   HB*)         (resid     46 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     56 and name   HG*)         (resid     56 and name   HD*)   2.300   0.500   0.500
assign   (resid     49 and name  HG**)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     46 and name    HA)   3.400   1.600   1.600
assign   (resid     30 and name   HB*)         (resid     30 and name  HD**)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name   HG*)         (resid      1 and name    HA)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     36 and name   HB*)   3.900   2.100   2.100
assign   (resid     59 and name    HN)         (resid     57 and name   HB*)   3.400   1.600   1.600
assign   (resid     34 and name  HD1*)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     57 and name   HB*)   3.400   1.600   1.600
assign   (resid   38 and name HA) 
         ((resid   37 and name HB*) or (resid   41 and name HB*))
   2.900 1.100 1.100 ! incr to 5.0 after round 3. (58 viol avg 0.587)
assign   (resid     50 and name    HN)         (resid     50 and name    HG)   2.900   1.100   1.100
assign (resid   51 and name HE3) (resid   51 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (70 viol avg 0.133)
!assign   ((resid     32 and name  HA)   or   (resid     36 and name    HA))
!         (resid     34 and name  HG2*)   
!        3.900 2.100 2.100 ! incr to 6.0 after round 4. (58 viol avg 0.436)
assign   (resid     54 and name    HA)         (resid     57 and name   HG*)   3.400   1.600   1.600
assign   (resid     44 and name  HG2*)         (resid     43 and name    HN)   3.400   1.600   1.600
assign   (resid     41 and name    HA)         (resid     44 and name  HG2*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     52 and name    HB)   3.400   1.600   1.600
assign   (resid     39 and name    HN)         (resid     39 and name    HA)   2.900   1.100   1.100
assign   (resid     63 and name    HA)         (resid     63 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HB)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     14 and name    HA)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   (resid     35 and name    HA)         (resid     34 and name    HB)   3.400   1.600   1.600
assign   (resid     56 and name   HG*)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   (resid     18 and name    HA)         (resid     18 and name   HG*)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HN)   3.400   1.600   1.600
assign   (resid     16 and name    HA)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid      7 and name   HB*)         (resid      7 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     52 and name  HG2*)   3.900   2.100   2.100
assign   (resid     36 and name   HG*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid   38 and name HG**) 
         ((resid   35 and name HN) or (resid   39 and name HN))
   2.900 1.100 1.100 ! incr to 5.0 after round 6. (52 viol avg 0.145)
assign (resid   24 and name HH2) (resid   24 and name HE3)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (100 viol avg 0.279)
assign   (resid     56 and name   HE*)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      7 and name   HD*)   3.400   1.600   1.600
assign   (resid      3 and name    HN)         (resid      3 and name   HG*)   2.900   1.100   1.100
assign   (resid     44 and name    HB)         (resid     44 and name    HN)   3.400   1.600   1.600
assign   (resid     27 and name   HB*)         (resid     27 and name    HA)   2.300   0.500   0.500
assign   (resid     31 and name  HG1*)         (resid     27 and name   HB*)   3.400   1.600   1.600
assign   (resid     57 and name   HG*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     30 and name    HA)   3.400   1.600   1.600
assign   (resid     48 and name   HB*)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     57 and name   HB*)   2.300   0.500   0.500
assign   (resid     48 and name  HD**)         (resid     45 and name    HN)   3.400   1.600   1.600
assign   (resid     39 and name   HD*)         (resid     39 and name    HA)   3.900   2.100   2.100
assign   (resid     37 and name  HD**)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     22 and name    HA)   3.400   1.600   1.600
assign   (resid     39 and name   HD*)         (resid     35 and name   HE*)   3.900   2.100   2.100
assign   (resid     42 and name   HA*)         (resid     42 and name    HN)   2.900   1.100   1.100
!assign (resid   31 and name HG1*) (resid   33 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 2. (62 viol avg 0.990)
assign   (resid     20 and name    HN)         (resid     19 and name   HB*)   2.900   1.100   1.100
assign   (resid     24 and name   HB*)         (resid     24 and name   HE3)   3.400   1.600   1.600
assign   (resid     27 and name   HB*)         (resid     28 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name    HA)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid      4 and name    HN)         (resid      4 and name   HA*)   2.300   0.500   0.500
assign   (resid     53 and name    HB)         (resid     52 and name  HG2*)   3.400   1.600   1.600
assign   (resid     10 and name   HD*)         (resid     10 and name   HE*)   2.300   0.500   0.500
assign   (resid     31 and name  HG2*)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign   (resid      2 and name   HB*)         (resid      2 and name   HG*)   2.300   0.500   0.500
assign   (resid     26 and name    HA)         (resid     24 and name   HE3)   3.400   1.600   1.600
assign   (resid     61 and name   HB*)         (resid     61 and name    HA)   2.300   0.500   0.500
assign   (resid     38 and name  HG**)         (resid     35 and name   HD*)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid     60 and name   HB*)         (resid     60 and name   HD2)   2.900   1.100   1.100
assign   (resid     25 and name   HB*)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name    HA)         (resid     24 and name   HB*)   2.900   1.100   1.100
assign   (resid     52 and name    HA)         (resid     52 and name  HG2*)   3.400   1.600   1.600
assign   (resid     34 and name  HD1*)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     20 and name    HA)         (resid     20 and name   HG*)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign (resid   30 and name HA) (resid   34 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (37 viol avg 0.090)
assign   (resid     63 and name    HA)         (resid     63 and name   HD2)   3.400   1.600   1.600
assign   (resid     25 and name   HG*)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid     10 and name   HD*)         (resid     10 and name    HA)   3.400   1.600   1.600
assign   (resid     17 and name    HA)         (resid     17 and name   HB*)   2.300   0.500   0.500
assign (resid   6 and name HA) (resid   7 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (61 viol avg 0.098)
assign   (resid     47 and name   HA*)         (resid     47 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     49 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     35 and name    HA)   2.900   1.100   1.100
assign   (resid     19 and name   HB*)         (resid     17 and name   HB*)   3.400   1.600   1.600
assign   (resid     63 and name   HB*)         (resid     63 and name    HN)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     42 and name    HN)   3.400   1.600   1.600
assign   (resid     55 and name   HD*)         (resid     55 and name    HE)   3.400   1.600   1.600
assign   (resid     27 and name    HA)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      3 and name    HA)   2.300   0.500   0.500
assign   (resid     37 and name    HG)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     43 and name    HA)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     21 and name   HE*)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign   (resid     37 and name   HB*)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     62 and name   HB*)         (resid     62 and name    HA)   2.300   0.500   0.500
assign   (resid     40 and name  HD**)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name    HN)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign   (resid     36 and name    HA)         (resid     36 and name   HB*)   2.900   1.100   1.100
assign   (resid      8 and name   HB*)         (resid      8 and name    HA)   2.300   0.500   0.500
assign   (resid     35 and name    HA)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     41 and name   HB*)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name   HG*)         (resid     56 and name    HN)   3.400   1.600   1.600
assign   (resid     40 and name    HA)         (resid     40 and name    HG)   3.400   1.600   1.600
assign   (resid     58 and name    HN)         (resid     57 and name   HB*)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     64 and name   HB*)         (resid     64 and name    HA)   2.900   1.100   1.100
assign   (resid     26 and name    HA)         (resid     26 and name   HB*)   2.300   0.500   0.500
assign   (resid     31 and name  HG1*)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name    HN)   2.300   0.500   0.500
assign   (resid      6 and name    HN)         (resid      6 and name   HB*)   2.300   0.500   0.500
assign   (resid     37 and name  HD**)         (resid     37 and name    HG)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     60 and name   HD2)   2.900   1.100   1.100
assign   (resid      1 and name   HB*)         (resid      1 and name   HG*)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     39 and name   HB*)   3.900   2.100   2.100
assign   (resid     36 and name   HG*)         (resid     36 and name   HB*)   2.900   1.100   1.100
assign   (resid     57 and name    HA)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     49 and name    HB)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     59 and name    HA)         (resid     59 and name   HD2)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     35 and name    HN)   3.400   1.600   1.600
assign   (resid     62 and name   HB*)         (resid     62 and name   HD2)   2.900   1.100   1.100
assign   (resid     33 and name   HB*)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name    HA)         (resid     30 and name  HD**)   2.900   1.100   1.100
assign   (resid     32 and name   HB*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   ((resid     37 and name  HD**)   or   (resid     34 and name  HG2*))
         (resid     36 and name   HE*)   
         3.400   1.600   1.600
assign   (resid     37 and name    HA)         (resid     40 and name    HG)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     54 and name   HD*)   3.900   2.100   2.100
assign   (resid      7 and name   HB*)         (resid      7 and name   HD*)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name    HA)   3.400   1.600   1.600
assign (resid   24 and name HA) (resid   24 and name HD1)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (80 viol avg 0.711)
assign   (resid     21 and name    HA)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     23 and name   HB*)         (resid     23 and name    HA)   2.300   0.500   0.500
assign   (resid     59 and name    HA)         (resid     59 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      7 and name    HA)   2.900   1.100   1.100
assign   (resid     16 and name    HA)         (resid     17 and name    HN)   2.300   0.500   0.500
assign   (resid     10 and name   HB*)         (resid     13 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     10 and name   HD*)   3.900   2.100   2.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     31 and name  HD1*)         (resid     31 and name    HN)   3.400   1.600   1.600
assign   (resid     50 and name  HD**)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     24 and name   HZ3)         (resid     24 and name   HE3)   2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     54 and name   HD*)   3.400   1.600   1.600
assign   (resid     64 and name   HB*)         (resid     64 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     18 and name    HA)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     17 and name    HA)         (resid     17 and name   HB*)   2.300   0.500   0.500
assign   (resid     54 and name    HA)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      4 and name    HN)   2.900   1.100   1.100
assign   ((resid     54 and name    HN)   or   (resid     55 and name    HN))
         (resid     53 and name    HA)   
         2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     45 and name    HN)         (resid     45 and name   HA*)   2.300   0.500   0.500
assign   (resid     41 and name    HN)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid     56 and name    HN)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.300   0.500   0.500
assign   (resid     59 and name   HB*)         (resid     59 and name    HN)   3.400   1.600   1.600
assign   (resid     11 and name   HB*)         (resid     11 and name   HE*)   3.400   1.600   1.600
assign   (resid     36 and name    HA)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     49 and name    HB)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name  HD1*)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     62 and name   HB*)         (resid     62 and name    HA)   2.300   0.500   0.500
assign   (resid     46 and name   HB*)         (resid     45 and name   HA*)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   2.900   1.100   1.100
assign   (resid     31 and name  HG2*)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign (resid   49 and name HA) (resid   51 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (27 viol avg 0.087)
assign   (resid     31 and name  HG2*)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     38 and name    HA)         (resid     38 and name    HB)   3.400   1.600   1.600
assign   (resid     16 and name   HB*)         (resid     16 and name    HN)   2.300   0.500   0.500
assign   (resid     51 and name    HA)         (resid     51 and name   HD1)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     59 and name   HD2)   3.400   1.600   1.600
assign   (resid     16 and name    HA)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     57 and name   HG*)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     19 and name   HB*)         (resid     19 and name    HA)   2.300   0.500   0.500
assign   (resid      2 and name   HB*)         (resid      2 and name   HG*)   2.300   0.500   0.500
assign   (resid     37 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name    HA)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     24 and name   HH2)         (resid     24 and name   HZ3)   2.900   1.100   1.100
assign   (resid     57 and name    HA)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign (resid   47 and name HA*) (resid   48 and name HG)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (35 viol avg 0.176)
assign   (resid     54 and name   HB*)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     64 and name   HB*)         (resid     64 and name   HD2)   3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      7 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     40 and name    HN)   3.900   2.100   2.100
assign   (resid     31 and name    HN)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   ((resid     57 and name   HE*)   or   (resid     56 and name   HE*))
         ((resid     56 and name   HD*)   or   (resid     57 and name   HD*))
   2.300   0.500   0.500
assign   (resid     30 and name  HD**)         (resid     30 and name    HN)   3.400   1.600   1.600
assign   (resid     37 and name   HB*)         (resid     38 and name    HN)   3.400   1.600   1.600
assign   (resid     52 and name    HA)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     57 and name   HD*)   2.300   0.500   0.500
!assign (resid   31 and name HG2*) (resid   28 and name HA*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     36 and name   HG*)         (resid     36 and name   HB*)   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     48 and name  HD**)   2.300   0.500   0.500
assign (resid   40 and name HN) (resid   40 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (53 viol avg 0.257)
assign   (resid     62 and name   HB*)         (resid     62 and name    HN)   3.400   1.600   1.600
assign   (resid      9 and name    HN)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     51 and name   HZ3)         (resid     51 and name   HH2)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     51 and name   HZ3)   3.400   1.600   1.600
assign   (resid     24 and name    HA)         (resid     24 and name   HE3)   3.400   1.600   1.600
assign   (resid     10 and name   HD*)         (resid     10 and name    HN)   3.400   1.600   1.600
assign   (resid     35 and name    HA)         (resid     35 and name   HD*)   3.400   1.600   1.600
assign   (resid     31 and name  HD1*)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     54 and name    HA)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     52 and name  HG2*)   2.900   1.100   1.100
assign   (resid   54 and name HA) 
         ((resid   50 and name HN) or (resid   56 and name HN))  
  3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign   (resid     18 and name   HB*)         (resid     18 and name   HG*)   2.300   0.500   0.500
assign   (resid     48 and name  HD**)         (resid     45 and name   HA*)   3.400   1.600   1.600
assign   (resid     55 and name   HD*)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     53 and name    HA)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name   HE*)   2.900   1.100   1.100
assign   (resid     10 and name    HN)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid     48 and name    HG)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.300   0.500   0.500
assign   (resid     18 and name    HA)         (resid     18 and name   HG*)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name  HH**)   3.400   1.600   1.600
assign   (resid     54 and name    HA)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name    HB)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign (resid   6 and name HA) (resid   7 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (61 viol avg 0.098)
assign   (resid     36 and name    HA)         (resid     36 and name   HE*)   3.400   1.600   1.600
assign   (resid     39 and name   HD*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     39 and name   HD*)         (resid     39 and name   HB*)   3.400   1.600   1.600
assign   (resid     35 and name   HD*)         (resid     31 and name  HG2*)   3.900   2.100   2.100
assign   (resid     38 and name  HG**)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign (resid   50 and name HA) (resid   53 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (78 viol avg 0.117)
assign   (resid     51 and name   HB*)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name   HB*)         (resid     25 and name    HN)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name  HG1*)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   (resid     34 and name  HD1*)         (resid     34 and name  HG1*)   2.900   1.100   1.100
assign   (resid     51 and name   HE3)         (resid     51 and name   HZ3)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     32 and name    HA)   3.400   1.600   1.600
assign   (resid     32 and name   HG*)         (resid     33 and name    HN)   3.400   1.600   1.600
assign   (resid      3 and name    HN)         (resid      1 and name   HB*)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     31 and name    HB)   3.400   1.600   1.600
assign   (resid     38 and name    HA)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     35 and name    HA)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     40 and name    HG)   2.900   1.100   1.100
assign   (resid     30 and name    HA)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     11 and name   HB*)         (resid     11 and name   HE*)   3.400   1.600   1.600
assign (resid   29 and name HB*) (resid   26 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (29 viol avg 0.114)
assign   (resid     37 and name   HB*)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     61 and name   HB*)         (resid     61 and name    HA)   2.300   0.500   0.500
assign   (resid     34 and name    HA)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name   HB*)   2.900   1.100   1.100
!assign (resid   21 and name HE*) (resid   21 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (27 viol avg 0.304)
assign   (resid     54 and name   HB*)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     26 and name    HA)         (resid     26 and name   HB*)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     47 and name   HA*)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name    HA)         (resid     57 and name   HB*)   2.300   0.500   0.500
assign   (resid     31 and name  HD1*)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     45 and name    HN)         (resid     45 and name   HA*)   2.300   0.500   0.500
assign   (resid     25 and name   HB*)         (resid     25 and name    HN)   3.400   1.600   1.600
assign (resid   53 and name HG**) (resid   55 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (27 viol avg 0.107)
assign   (resid     44 and name  HG2*)         (resid     44 and name    HA)   2.900   1.100   1.100
assign   (resid     14 and name    HN)         (resid     14 and name   HB*)   2.900   1.100   1.100
assign   ((resid   50 and name HG) or (resid   51 and name HE*))
         (resid   52 and name HG2*)  
  3.400 1.600 1.600 ! incr to 5.0 after round 4. (78 viol avg 0.546)
assign (resid   10 and name HA) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (53 viol avg 0.083)
assign   (resid     13 and name   HB*)         (resid     11 and name   HD*)   3.900   2.100   2.100
assign   (resid     30 and name  HD**)         (resid     27 and name    HN)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     33 and name    HA)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     59 and name   HB*)         (resid     59 and name   HD2)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     59 and name    HA)         (resid     59 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name   HD*)         (resid     10 and name   HE*)   2.900   1.100   1.100
assign   (resid      6 and name    HA)         (resid      6 and name   HB*)   2.300   0.500   0.500
assign   (resid     59 and name   HB*)         (resid     59 and name   HD2)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   (resid     41 and name    HG)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     34 and name  HD1*)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     34 and name    HA)         (resid     37 and name  HD**)   3.400   1.600   1.600
assign   (resid     56 and name   HG*)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         
         ((resid     52 and name    HA)   or   (resid     49 and name    HA))
   3.400   1.600   1.600
assign   (resid     51 and name   HZ3)         (resid     51 and name   HH2)   2.900   1.100   1.100
assign   (resid     12 and name   HA*)         (resid     13 and name    HN)   2.300   0.500   0.500
assign   (resid     38 and name    HN)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      7 and name   HD*)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name   HE*)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     48 and name  HD**)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name  HG2*)         (resid     35 and name   HE*)   3.900   2.100   2.100
assign   (resid     35 and name   HD*)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     40 and name   HB*)   2.900   1.100   1.100
!assign (resid   37 and name HD**) (resid   39 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 8
assign   (resid     20 and name    HN)         (resid     20 and name   HG*)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid     34 and name  HG1*)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     57 and name    HA)         (resid     57 and name    HN)   2.300   0.500   0.500
assign   (resid      4 and name    HN)         (resid      4 and name   HA*)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     50 and name    HA)   3.400   1.600   1.600
assign   (resid      7 and name   HB*)         (resid      7 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     57 and name   HB*)         (resid     57 and name    HN)   2.900   1.100   1.100
assign (resid   49 and name HB) (resid   50 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (25 viol avg 0.109)
assign   (resid     40 and name   HB*)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     21 and name    HA)   2.300   0.500   0.500
assign   (resid     13 and name    HN)         (resid     13 and name    HA)   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     48 and name  HD**)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name    HA)   3.400   1.600   1.600
assign   (resid      7 and name   HD*)         (resid      5 and name   HA*)   3.400   1.600   1.600
assign   (resid     25 and name   HG*)         (resid     25 and name   HE*)   3.400   1.600   1.600
assign   (resid     55 and name   HD*)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         (resid     30 and name    HA)   2.900   1.100   1.100
assign (resid   48 and name HD**) (resid   51 and name HD1)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (63 viol avg 0.179)
assign   (resid     53 and name  HG**)         (resid     57 and name   HG*)   3.400   1.600   1.600
assign   (resid     52 and name    HA)         (resid     52 and name    HB)   2.900   1.100   1.100
assign   (resid     51 and name    HA)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name   HB*)         (resid     38 and name    HN)   3.400   1.600   1.600
assign   (resid     46 and name   HB*)         (resid     46 and name    HN)   2.300   0.500   0.500
assign   (resid     57 and name   HD*)         (resid     57 and name   HB*)   2.300   0.500   0.500
assign   (resid     10 and name   HD*)         (resid     10 and name   HB*)   2.900   1.100   1.100
assign   (resid     37 and name    HG)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name   HE*)         (resid     52 and name  HG2*)   3.400   1.600   1.600
assign   (resid     44 and name  HG2*)         (resid     44 and name    HN)   3.400   1.600   1.600
assign   (resid     34 and name  HG2*)         (resid     33 and name    HN)   3.900   2.100   2.100
assign   (resid      5 and name   HA*)         (resid      5 and name    HN)   2.300   0.500   0.500
assign   (resid     29 and name    HA)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     16 and name    HN)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     34 and name  HG1*)         (resid     34 and name    HB)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     13 and name   HB*)   3.400   1.600   1.600
assign   (resid     49 and name    HB)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     55 and name    HA)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     55 and name   HG*)         (resid     54 and name   HD*)   3.400   1.600   1.600
assign   (resid     51 and name   HB*)         (resid     48 and name    HA)   3.400   1.600   1.600
assign   (resid      6 and name    HN)         (resid      5 and name   HA*)   2.300   0.500   0.500
assign   (resid     34 and name  HG1*)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name    HA)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     41 and name    HG)         (resid     41 and name    HA)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     29 and name    HA)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   2.900   1.100   1.100
assign   (resid     26 and name    HA)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     12 and name   HA*)   3.400   1.600   1.600
assign   (resid     25 and name   HB*)         (resid     22 and name    HA)   3.400   1.600   1.600
assign   (resid      8 and name    HA)         (resid      9 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name    HA)         (resid     10 and name   HB*)   2.300   0.500   0.500
assign   (resid     33 and name   HB*)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name    HB)         (resid     31 and name  HG2*)   3.400   1.600   1.600
assign   (resid     41 and name    HA)         (resid     44 and name    HB)   3.400   1.600   1.600
assign   (resid     22 and name    HB)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name   HB*)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid     25 and name   HD*)         (resid     25 and name    HN)   3.400   1.600   1.600
assign (resid   17 and name HA) (resid   17 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (87 viol avg 0.098)
assign   (resid     51 and name   HB*)         (resid     51 and name   HD1)   3.400   1.600   1.600
assign   (resid     30 and name  HD**)         (resid     27 and name   HB*)   3.900   2.100   2.100
assign   (resid      9 and name   HB*)         (resid     10 and name    HN)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     60 and name    HA)   2.300   0.500   0.500
assign   (resid     38 and name  HG**)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign   (resid     30 and name  HD**)         (resid     27 and name    HA)   3.900   2.100   2.100
assign   (resid      1 and name   HB*)         (resid      1 and name    HA)   2.300   0.500   0.500
assign (resid   36 and name HE*) (resid   37 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (31 viol avg 0.162)
assign   (resid     11 and name   HE*)         (resid     11 and name   HD*)   2.300   0.500   0.500
assign   (resid     31 and name  HD1*)         (resid     32 and name   HD*)   3.400   1.600   1.600
assign   (resid     40 and name  HD**)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   ((resid     25 and name    HE*)   or   (resid     19 and name   HB*))
         (resid     22 and name    HB)   
         3.400   1.600   1.600
!assign   (resid   21 and name HA) 
!         ((resid   24 and name HE3) or (resid   16 and name HE2*))
!        3.900 2.100 2.100 ! could be commented out due to major violation after round 8
assign   (resid      6 and name    HA)         (resid      6 and name   HB*)   2.300   0.500   0.500
assign   (resid     52 and name    HA)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     18 and name    HA)         (resid     18 and name    HN)   2.300   0.500   0.500
assign   (resid     63 and name   HB*)         (resid     63 and name   HD2)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     31 and name  HD1*)   3.900   2.100   2.100
assign (resid   15 and name HA) (resid   15 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (31 viol avg 0.106)
assign   (resid     57 and name   HD*)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   (resid     11 and name    HA)         (resid     11 and name   HB*)   2.300   0.500   0.500
assign   (resid     18 and name    HA)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     15 and name   HB*)         (resid     15 and name    HN)   2.300   0.500   0.500
assign   (resid     40 and name  HD**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     47 and name   HA*)         (resid     50 and name   HB*)   3.400   1.600   1.600
assign   (resid     34 and name  HG1*)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     24 and name   HB*)         (resid     24 and name   HD1)   3.400   1.600   1.600
assign   (resid     60 and name   HB*)         (resid     60 and name   HD2)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      3 and name   HG*)   2.300   0.500   0.500
assign   (resid     40 and name  HD**)         (resid     40 and name    HG)   2.900   1.100   1.100
assign   (resid      2 and name   HB*)         (resid      2 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name   HD*)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid      7 and name   HD*)         (resid      7 and name    HA)   3.400   1.600   1.600
assign   (resid     41 and name   HB*)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     59 and name    HA)         (resid     59 and name   HB*)   2.900   1.100   1.100
assign   (resid     21 and name    HA)         (resid     22 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign   (resid     57 and name   HG*)         (resid     60 and name    HN)   3.400   1.600   1.600
assign   (resid      3 and name   HB*)         (resid      3 and name   HG*)   2.300   0.500   0.500
assign   (resid     21 and name    HN)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     14 and name    HA)   3.400   1.600   1.600
assign   (resid     55 and name   HD*)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     31 and name  HD1*)   3.900   2.100   2.100
assign   (resid     40 and name    HA)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     57 and name    HA)   3.400   1.600   1.600
assign   (resid     49 and name    HB)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   (resid     43 and name    HN)         (resid     42 and name   HA*)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   (resid     37 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   ((resid     31 and name  HG2*)   or   (resid     38 and name  HG**))
         (resid     35 and name   HB*)   
         3.900   2.100   2.100
assign   (resid     50 and name    HA)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     57 and name   HD*)         (resid     57 and name   HE*)   2.300   0.500   0.500
assign   (resid     22 and name  HG2*)         (resid     23 and name   HB*)   3.400   1.600   1.600
assign   (resid     13 and name   HB*)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   ((resid   32 and name HB*) or (resid   30 and name HB*))
         (resid   29 and name HA)  
         3.400 1.600 1.600 ! incr to 5.0 after round 9. (34 viol avg 0.114)
assign   (resid     40 and name  HD**)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     14 and name    HN)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   (resid     35 and name   HE*)         (resid     35 and name   HB*)   3.900   2.100   2.100
assign   (resid     62 and name   HB*)         (resid     62 and name    HA)   2.300   0.500   0.500
!assign (resid   54 and name HB*) (resid   53 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 6. (85 viol avg 0.163)
assign   (resid     34 and name    HN)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     13 and name   HB*)   3.400   1.600   1.600
assign   (resid     57 and name   HD*)         (resid     61 and name    HA)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     21 and name   HB*)   2.900   1.100   1.100
assign   (resid     43 and name    HN)         (resid     43 and name    HB)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     55 and name    HA)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid      1 and name   HB*)         (resid      1 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name  HD**)         (resid     48 and name    HA)   3.400   1.600   1.600
assign   (resid     51 and name   HB*)         (resid     51 and name    HA)   3.400   1.600   1.600
assign   (resid     18 and name    HN)         (resid     18 and name   HG*)   2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     16 and name   HG*)         (resid     16 and name  HE2*)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     34 and name  HG2*)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid      3 and name   HB*)         (resid      3 and name   HG*)   2.300   0.500   0.500
assign   (resid     55 and name   HD*)         (resid     55 and name    HN)   3.400   1.600   1.600
assign   (resid     21 and name   HB*)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign   (resid     49 and name    HA)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     54 and name   HB*)   3.900   2.100   2.100
assign   (resid     11 and name   HB*)         (resid     11 and name   HE*)   3.400   1.600   1.600
assign   (resid     24 and name   HH2)         (resid     24 and name   HZ2)   2.900   1.100   1.100
assign   (resid     25 and name   HB*)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name    HB)         (resid     42 and name   HA*)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name    HA)   2.300   0.500   0.500
assign   (resid     43 and name    HA)         (resid     43 and name    HB)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      3 and name    HA)   2.300   0.500   0.500
assign   (resid     57 and name   HD*)         (resid     57 and name   HB*)   2.300   0.500   0.500
assign   (resid     37 and name  HD**)         (resid     37 and name   HB*)   2.300   0.500   0.500
assign   (resid     24 and name    HN)         (resid     24 and name   HB*)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     64 and name   HB*)         (resid     64 and name   HD2)   2.900   1.100   1.100
assign   (resid     54 and name    HA)         (resid     54 and name   HD*)   3.400   1.600   1.600
assign   (resid     20 and name    HA)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name    HG)         (resid     30 and name  HD**)   2.900   1.100   1.100
assign   (resid     41 and name    HG)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     33 and name    HA)   3.400   1.600   1.600
assign   (resid     56 and name    HA)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name    HB)   3.400   1.600   1.600
assign   (resid      3 and name   HB*)         (resid      3 and name    HA)   2.300   0.500   0.500
assign   (resid     11 and name   HB*)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     37 and name   HB*)   3.400   1.600   1.600
assign   (resid     46 and name   HB*)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     41 and name   HB*)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     25 and name   HE*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     49 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name  HG1*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     13 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name   HE*)         (resid     36 and name    HN)   3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     21 and name   HD*)   3.400   1.600   1.600
assign   (resid     37 and name    HG)         (resid     33 and name    HA)   3.400   1.600   1.600
assign (resid   14 and name HN) (resid   13 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (29 viol avg 0.104)
assign   (resid      2 and name    HA)         (resid      2 and name   HG*)   2.900   1.100   1.100
assign   (resid     56 and name   HG*)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     13 and name   HB*)   3.400   1.600   1.600
assign   (resid     40 and name  HD**)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     47 and name   HA*)         (resid     48 and name    HN)   3.400   1.600   1.600
assign   (resid     16 and name   HG*)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     49 and name  HG**)         (resid     48 and name    HA)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     35 and name    HA)         
         ((resid     36 and name   HB*)   or   (resid     38 and name    HB))
   2.900   1.100   1.100
assign   (resid     36 and name    HA)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid   29 and name HB*) 
         ((resid   32 and name HB*) or (resid   32 and name HG*))
         3.900 2.100 2.100 ! incr to 6.0 after round 8. (28 viol avg 0.094)
assign   (resid     29 and name   HB*)         
         ((resid     27 and name   HB*)   or   (resid     26 and name   HB*))
   3.900   2.100   2.100
assign   (resid     35 and name    HA)         
         ((resid     39 and name    HN)   or   (resid     35 and name    HN))
   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     21 and name    HA)   3.400   1.600   1.600
assign   (resid     44 and name  HG2*)         (resid     45 and name    HN)   3.400   1.600   1.600
assign   (resid     13 and name   HB*)         (resid     12 and name   HA*)   3.400   1.600   1.600
assign   (resid     44 and name    HB)         (resid     45 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name    HA)         (resid     53 and name    HN)   3.400   1.600   1.600
assign   (resid     57 and name    HA)         (resid     57 and name   HB*)   2.300   0.500   0.500
assign   (resid     57 and name   HB*)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     31 and name  HG2*)   3.400   1.600   1.600
assign   (resid     34 and name  HG1*)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     41 and name    HA)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign (resid   48 and name HB*) (resid   49 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (25 viol avg 0.441)
assign   (resid     56 and name    HN)         (resid     56 and name   HD*)   3.400   1.600   1.600
assign   (resid     61 and name   HB*)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid      1 and name    HA)         (resid      1 and name   HG*)   3.400   1.600   1.600
assign   (resid     32 and name   HB*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     35 and name    HA)   3.900   2.100   2.100
assign   (resid     43 and name  HG2*)         (resid     43 and name    HA)   3.400   1.600   1.600
assign   ((resid     41 and name    HG)   or   (resid     37 and name  HD**))
         (resid     37 and name   HB*)   
         2.900   1.100   1.100
assign   (resid     34 and name  HD1*)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid      7 and name    HN)         (resid      7 and name    HA)   2.900   1.100   1.100
assign   (resid     11 and name   HD*)         (resid     11 and name    HN)   3.400   1.600   1.600
assign   (resid     54 and name    HA)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   ((resid   30 and name HB*) or (resid   48 and name HB*))
         ((resid   28 and name HA*) or (resid   45 and name HA*))
         3.400 1.600 1.600 ! incr to 6.0 after round 6. (66 viol avg 0.191)
assign   (resid     51 and name   HB*)         (resid     52 and name  HG2*)   3.900   2.100   2.100
assign   (resid     19 and name   HB*)         (resid     15 and name    HA)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     13 and name   HB*)         (resid     13 and name    HA)   2.300   0.500   0.500
assign   (resid     38 and name    HA)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     34 and name  HG1*)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     35 and name    HA) 
         ((resid     38 and name    HG**)   or   (resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
   3.400   1.600   1.600
assign   (resid     30 and name   HB*)         (resid     30 and name  HD**)   2.300   0.500   0.500
!assign (resid   50 and name HG) (resid   54 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (61 viol avg 0.381)
assign   (resid      7 and name   HD*)         (resid      7 and name    HA)   3.400   1.600   1.600
assign   (resid     63 and name    HA)         (resid     63 and name   HB*)   2.300   0.500   0.500
assign   (resid     34 and name  HG1*)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     49 and name    HN)   3.400   1.600   1.600
assign   (resid     21 and name   HB*)         (resid     21 and name    HA)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      3 and name    HN)   2.300   0.500   0.500
assign   (resid     34 and name    HA)         (resid     37 and name   HB*)   3.400   1.600   1.600
assign   (resid      2 and name    HN)         (resid      1 and name    HA)   2.900   1.100   1.100
assign   (resid     48 and name    HA)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     43 and name    HB)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     23 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         
         ((resid     33 and name    HA)   or   (resid     30 and name    HA))
   2.900   1.100   1.100
assign   (resid     19 and name   HB*)         (resid     19 and name    HA)   2.900   1.100   1.100
assign   (resid     23 and name   HB*)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     57 and name   HD*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     46 and name    HN)   3.400   1.600   1.600
assign   (resid     17 and name   HB*)         (resid     17 and name    HN)   2.300   0.500   0.500
assign   (resid     55 and name    HA)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     31 and name  HG2*)         (resid     31 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign (resid   30 and name HG) (resid   30 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (60 viol avg 0.261)
assign   (resid     34 and name    HN)         (resid     33 and name    HA)   2.900   1.100   1.100
!assign (resid   6 and name HA) (resid   5 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (52 viol avg 0.132)
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     40 and name  HD**)   3.900   2.100   2.100
assign   (resid     47 and name   HA*)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     15 and name   HB*)         (resid     15 and name    HA)   2.300   0.500   0.500
assign   (resid     37 and name  HD**)         (resid     36 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     51 and name   HZ2)   3.900   2.100   2.100
assign   (resid     57 and name   HG*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid      7 and name   HB*)         (resid      7 and name    HA)   2.900   1.100   1.100
assign (resid   21 and name HA) (resid   20 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (53 viol avg 0.355)
assign   (resid     55 and name   HD*)         (resid     55 and name   HB*)   2.900   1.100   1.100
assign   (resid      2 and name   HB*)         (resid      2 and name    HA)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     53 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     40 and name    HN)   3.900   2.100   2.100
assign   (resid     60 and name   HB*)         (resid     60 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name    HA)         (resid     41 and name   HB*)   2.900   1.100   1.100
!assign (resid   55 and name HB*) (resid   52 and name HG2*)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (28 viol avg 0.123)
assign   (resid     22 and name    HB)         (resid     22 and name    HN)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid     37 and name  HD**)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name   HE*)   
         ((resid     36 and name   HA)   or   (resid     32 and name    HA)   or   (resid     39 and name    HA))
   3.900   2.100   2.100
assign   (resid     21 and name   HB*)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign   (resid     16 and name    HA)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     27 and name   HB*)         (resid     27 and name    HA)   2.300   0.500   0.500
assign   (resid     11 and name    HA)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     51 and name   HB*)   3.400   1.600   1.600
!assign (resid   41 and name HB*) (resid   44 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign   (resid     38 and name  HG**)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign   (resid      6 and name   HB*)         (resid      5 and name   HA*)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     39 and name   HB*)   3.400   1.600   1.600
assign   (resid     31 and name  HD1*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     32 and name   HG*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name   HG*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name    HB)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HB*)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     52 and name    HA)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     42 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name    HA)         (resid     10 and name   HE*)   3.400   1.600   1.600
assign   (resid     31 and name  HG1*)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name    HN)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid      1 and name    HA)         (resid      1 and name   HG*)   2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     54 and name   HD*)   3.900   2.100   2.100
assign   (resid   38 and name HG**) 
         ((resid   35 and name HN) or (resid   39 and name HN))
  3.400 1.600 1.600 ! incr to 5.0 after round 6. (52 viol avg 0.145)
assign   (resid     53 and name    HB)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name    HA)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     34 and name  HG2*)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     43 and name    HA)         (resid     46 and name    HN)   3.400   1.600   1.600
assign   (resid     49 and name    HB)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     22 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name  HG2*)   3.900   2.100   2.100
assign   (resid     24 and name   HB*)         (resid     24 and name   HE3)   2.900   1.100   1.100
assign   (resid     34 and name  HG1*)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   (resid      3 and name    HA)         (resid      3 and name   HG*)   2.300   0.500   0.500
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   2.900   1.100   1.100




!!15N filtered NOESYs

assign   (resid     31 and name  HG1*)         (resid     31 and name    HN)   2.900   1.100   1.100
assign   (resid     14 and name    HN)         (resid     15 and name    HN)   2.300   0.500   0.500
assign   (resid     35 and name   HB*)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name    HA)         (resid     57 and name    HN)   2.300   0.500   0.500
assign   (resid     55 and name   HB*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (resid     33 and name    HN)   3.400   1.600   1.600
assign   (resid      4 and name    HN)         (resid      5 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     47 and name    HN)   3.400   1.600   1.600
assign   (resid     20 and name    HN)         (resid     20 and name   HG*)   2.900   1.100   1.100
assign   (resid     56 and name    HN)         (resid     57 and name    HN)   2.300   0.500   0.500
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     56 and name    HN)         (resid     57 and name    HN)   2.300   0.500   0.500
assign   (resid     21 and name    HN)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign (resid   14 and name HN) (resid   13 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (37 viol avg 0.136)
assign (resid   14 and name HN) (resid   13 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (37 viol avg 0.136)
assign   (resid     26 and name    HN)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     35 and name    HN)   3.400   1.600   1.600
assign   ((resid     32 and name    HA)   or   (resid     36 and name    HA))
         (resid     33 and name    HN)   
         3.400   1.600   1.600
assign   (resid     64 and name    HA)         (resid     63 and name    HN)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     56 and name    HN)         (resid     56 and name   HD*)   2.900   1.100   1.100
assign   (resid      6 and name    HA)         (resid      6 and name    HN)   2.300   0.500   0.500
assign   (resid     18 and name    HA)         (resid     19 and name    HN)   2.300   0.500   0.500
assign   (resid     40 and name    HN)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     54 and name    HN)   3.400   1.600   1.600
assign   (resid     10 and name    HN)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid      4 and name    HN)         (resid      4 and name   HA*)   2.300   0.500   0.500
assign   (resid     60 and name   HB*)         (resid     60 and name    HN)   2.900   1.100   1.100
assign   (resid     52 and name    HA)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     19 and name   HB*)         (resid     19 and name    HN)   2.300   0.500   0.500
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     29 and name    HA)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   (resid     43 and name    HN)         (resid     42 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   (resid      3 and name    HA)         (resid      3 and name    HN)   2.300   0.500   0.500
assign   (resid     31 and name  HG2*)         (resid     31 and name    HN)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     49 and name    HN)   3.400   1.600   1.600
assign   (resid     39 and name    HN)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     28 and name    HN)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name    HN)         (resid     18 and name   HG*)   2.900   1.100   1.100
assign   (resid     56 and name   HG*)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     58 and name    HN)         (resid     57 and name   HD*)   3.400   1.600   1.600
assign   (resid      9 and name  HD2*)         (resid      9 and name    HN)   3.900   2.100   2.100
assign   (resid     50 and name    HN)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     61 and name   HB*)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid     62 and name   HB*)         (resid     62 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   2.900   1.100   1.100
assign   (resid      8 and name   HB*)         (resid      8 and name    HN)   2.300   0.500   0.500
assign   (resid     50 and name    HA)         (resid     50 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name    HA)         (resid     36 and name    HN)   2.900   1.100   1.100
assign ((resid   48 and name HD**) or (resid   49 and name HG1*))
  (resid   51 and name HE1)  
  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     27 and name    HA)         (resid     27 and name    HN)   2.900   1.100   1.100
!assign (resid   33 and name HA) (resid   29 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign   (resid     29 and name    HA)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     26 and name    HA)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     49 and name    HA)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     46 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     44 and name    HN)   3.400   1.600   1.600
assign   (resid     11 and name   HD*)         (resid     11 and name    HN)   3.400   1.600   1.600
assign   (resid     53 and name    HB)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name   HB*)         (resid     42 and name    HN)   3.400   1.600   1.600
assign   (resid     16 and name   HG*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign   ((resid     37 and name    HA)   or   (resid     41 and name    HA)) 
         (resid     38 and name    HN)   
         2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     24 and name    HN)         (resid     24 and name    HA)   2.900   1.100   1.100
assign   (resid     26 and name   HB*)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     54 and name    HA)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HB)         (resid     35 and name    HN)   3.400   1.600   1.600
assign   (resid     23 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.300   0.500   0.500
assign   (resid     23 and name    HN)         (resid     23 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     22 and name  HG2*)   3.900   2.100   2.100
assign   (resid     16 and name   HB*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign (resid   19 and name HA) (resid   19 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (58 viol avg 0.075)
assign   (resid     51 and name    HA)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     46 and name    HN)   2.300   0.500   0.500
assign   (resid     57 and name   HB*)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid      2 and name   HB*)         (resid      2 and name    HN)   2.900   1.100   1.100
assign   (resid     20 and name    HA)         (resid     20 and name    HN)   2.900   1.100   1.100
assign   (resid     14 and name    HN)         (resid     14 and name    HA)   2.300   0.500   0.500
assign (resid   16 and name HA) (resid   16 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (86 viol avg 0.094)
assign (resid   11 and name HB*) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (59 viol avg 0.091)
assign   (resid     49 and name    HN)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     21 and name    HN)         (resid     21 and name   HB*)   2.900   1.100   1.100
assign   (resid     37 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     14 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name  HG2*)         (resid     29 and name    HN)   3.900   2.100   2.100
assign (resid   20 and name HN) (resid   19 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (78 viol avg 0.642)
assign (resid   21 and name HN) (resid   21 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 6. (77 viol avg 0.119)
assign   (resid     22 and name  HG2*)         (resid     23 and name    HN)   3.400   1.600   1.600
assign (resid   10 and name HA) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (53 viol avg 0.083)
assign   ((resid      2 and name   HG*)   or   (resid      3 and name    HN))
         (resid      3 and name   HG*)   
         2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name    HN)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      4 and name    HN)   2.300   0.500   0.500
assign   (resid      2 and name    HA)         (resid      3 and name    HN)   2.300   0.500   0.500
assign   (resid     51 and name   HZ2)         (resid     51 and name   HE1)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     12 and name    HN)         (resid     11 and name   HD*)   3.400   1.600   1.600
assign   (resid     47 and name   HA*)         (resid     47 and name    HN)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     51 and name   HE1)   3.400   1.600   1.600
assign   (resid     56 and name    HN)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign (resid   42 and name HN) (resid   45 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (71 viol avg 0.660)
assign   (resid     18 and name    HN)         (resid     18 and name   HB*)   2.900   1.100   1.100
assign   (resid     21 and name    HN)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign (resid   15 and name HA) (resid   16 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (86 viol avg 0.235)
assign   (resid     41 and name    HG)         
         ((resid     41 and name    HN)   or   (resid     37 and name   HB*))
         2.900   1.100   1.100
assign   (resid     15 and name  HD2*)         (resid     15 and name    HN)   3.900   2.100   2.100
assign   (resid     39 and name   HD*)         (resid     40 and name    HN)   3.900   2.100   2.100
assign   ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
         (resid     33 and name    HN)   
         3.900   2.100   2.100
assign   (resid      3 and name   HB*)         (resid      4 and name    HN)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     23 and name   HB*)   2.900   1.100   1.100
assign (resid   7 and name HB*) (resid   7 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (73 viol avg 0.097)
assign   (resid     58 and name   HA*)         (resid     58 and name    HN)   2.300   0.500   0.500
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.300   0.500   0.500
assign   (resid     22 and name    HA)         (resid     24 and name   HE1)   3.900   2.100   2.100
assign   (resid     41 and name  HD**)         (resid     42 and name    HN)   3.400   1.600   1.600
assign   (resid     62 and name    HN)         (resid     62 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name  HG2*)         (resid     27 and name    HN)   3.900   2.100   2.100
assign   (resid     51 and name   HD1)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     20 and name    HN)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign   (resid     56 and name   HG*)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HN)   3.400   1.600   1.600
assign ((resid   30 and name HB*) or (resid   30 and name HG))
  (resid   29 and name HN)  
  3.400 1.600 1.600 ! incr to 5.0 after round 10. (36 viol avg 0.240)
assign   (resid     20 and name   HB*)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign   (resid     31 and name  HG1*)         (resid     31 and name    HN)   3.900   2.100   2.100
assign   (resid     10 and name   HD*)         (resid     10 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HE*)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign   (resid     50 and name  HD**)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   (resid      4 and name    HN)         (resid      4 and name   HA*)   2.300   0.500   0.500
assign   (resid     57 and name   HG*)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   (resid      5 and name   HA*)         (resid      5 and name    HN)   2.300   0.500   0.500
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.300   0.500   0.500
assign   (resid     26 and name    HN)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign   (resid     64 and name    HN)         (resid     64 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name    HA)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign   (resid     54 and name    HA)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     53 and name    HN)   3.900   2.100   2.100
assign   (resid     32 and name   HD*)         (resid     31 and name    HN)   3.400   1.600   1.600
assign   (resid     63 and name    HA)         (resid     63 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name    HA)         (resid     18 and name    HN)   2.300   0.500   0.500
assign   (resid     17 and name    HA)         (resid     18 and name    HN)   2.300   0.500   0.500
assign   (resid     40 and name  HD**)         (resid     43 and name    HN)   3.900   2.100   2.100
assign   (resid     30 and name    HN)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   (resid     42 and name   HA*)         (resid     42 and name    HN)   2.900   1.100   1.100
assign   (resid     13 and name    HN)         (resid     13 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid      2 and name   HB*)         (resid      2 and name    HN)   2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     11 and name    HN)   2.300   0.500   0.500
assign   (resid     47 and name    HN)         (resid     46 and name    HN)   2.900   1.100   1.100
assign   (resid     63 and name   HB*)         (resid     63 and name    HN)   2.900   1.100   1.100
assign   (resid     58 and name    HN)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     46 and name    HA)         (resid     47 and name    HN)   3.400   1.600   1.600
assign (resid   7 and name HB*) (resid   7 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (73 viol avg 0.097)
assign   (resid     39 and name    HN)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     19 and name    HN)         (resid     18 and name   HB*)   2.900   1.100   1.100
assign (resid   55 and name HD*) (resid   51 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (56 viol avg 0.458)
assign (resid   50 and name HD**) (resid   46 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (31 viol avg 0.091)
assign   (resid     59 and name   HB*)         (resid     59 and name    HN)   2.900   1.100   1.100
assign   (resid      9 and name    HN)         (resid     10 and name    HN)   2.300   0.500   0.500
assign   (resid     58 and name    HN)         (resid     57 and name   HG*)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     50 and name    HN)   3.400   1.600   1.600
assign   (resid     54 and name   HB*)         (resid     54 and name    HN)   2.900   1.100   1.100
assign (resid   50 and name HG) (resid   47 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (26 viol avg 0.147)
assign   (resid      3 and name    HA)         (resid      5 and name    HN)   2.900   1.100   1.100
assign   (resid     12 and name   HA*)         (resid     13 and name    HN)   2.300   0.500   0.500
assign   (resid      9 and name  HD2*)         (resid      9 and name    HN)   3.400   1.600   1.600
assign   (resid     53 and name    HN)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     49 and name    HB)         (resid     49 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     58 and name    HN)   2.300   0.500   0.500
assign   (resid     23 and name   HB*)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     42 and name    HN)   2.900   1.100   1.100
assign (resid   27 and name HB*) (resid   27 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (55 viol avg 0.092)
assign   (resid     28 and name   HA*)         (resid     28 and name    HN)   2.300   0.500   0.500
assign   (resid     31 and name    HN)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     59 and name    HA)         (resid     59 and name    HN)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     12 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name    HN)         (resid     45 and name   HA*)   2.900   1.100   1.100
assign (resid   10 and name HB*) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (33 viol avg 0.175)
assign   (resid     48 and name    HA)         (resid     51 and name    HN)   2.900   1.100   1.100
!assign (resid   26 and name HN) (resid   22 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign   (resid     13 and name   HB*)         (resid     10 and name    HN)   3.900   2.100   2.100
assign   (resid     53 and name  HG**)         (resid     53 and name    HN)   3.400   1.600   1.600
assign   (resid     25 and name   HB*)         (resid     25 and name    HN)   2.900   1.100   1.100
!assign   ((resid   55 and name HN) or (resid   54 and name HN))
!         (resid   51 and name HH2)  
!        3.900 2.100 2.100 ! could be commented out due to major violation after round 5
assign   (resid     48 and name  HD**)         (resid     48 and name    HN)   3.400   1.600   1.600
assign   (resid     58 and name    HN)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     19 and name    HN)         (resid     18 and name   HB*)   3.400   1.600   1.600
assign   (resid      3 and name   HB*)         (resid      4 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name   HB*)         (resid     15 and name    HN)   2.300   0.500   0.500
assign   ((resid      3 and name   HB*)   or   (resid      2 and name   HB*))
         (resid      3 and name    HN)   
         2.300   0.500   0.500
assign   (resid     34 and name    HN)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     20 and name    HN)         (resid     21 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     49 and name    HA)         (resid     50 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     22 and name    HN)   3.400   1.600   1.600
assign   (resid     46 and name   HB*)         (resid     46 and name    HN)   2.300   0.500   0.500
assign   (resid     51 and name    HA)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     47 and name   HA*)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name    HN)   3.400   1.600   1.600
assign (resid   26 and name HA) (resid   27 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 4. (50 viol avg 0.647)
assign   (resid      2 and name   HG*)         (resid      2 and name    HN)   3.400   1.600   1.600
assign   ((resid   25 and name HN) or (resid   30 and name HN))
         (resid   28 and name HN)  
  3.400 1.600 1.600 ! incr to 6.0 after round 3. (65 viol avg 0.705)
assign   (resid     24 and name    HN)         (resid     24 and name   HD1)   2.900   1.100   1.100
assign   (resid     53 and name    HA)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     21 and name    HA)         (resid     22 and name    HN)   2.900   1.100   1.100
assign   (resid     39 and name    HN)         (resid     39 and name    HA)   2.900   1.100   1.100
assign   (resid     21 and name    HN)         (resid     21 and name   HB*)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     45 and name    HN)   3.900   2.100   2.100
assign   (resid     52 and name    HA)         (resid     51 and name   HE1)   3.400   1.600   1.600
assign   (resid     30 and name    HN)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   (resid     54 and name   HD*)         (resid     54 and name    HN)   3.900   2.100   2.100
assign   (resid      2 and name    HN)         (resid      1 and name   HG*)   3.900   2.100   2.100
assign   (resid     33 and name    HA)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name  HD**)         (resid     47 and name    HN)   3.900   2.100   2.100
assign   (resid     16 and name   HG*)         (resid     16 and name  HE2*)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid     25 and name    HN)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     16 and name  HE2*)   2.900   1.100   1.100
assign   (resid      9 and name  HD2*)         (resid      9 and name    HA)   3.400   1.600   1.600
assign   (resid      8 and name   HB*)         (resid      9 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name    HA)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     11 and name    HN)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     13 and name    HN)   2.900   1.100   1.100
assign (resid   20 and name HA) (resid   21 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (56 viol avg 0.078)
assign   (resid     12 and name   HA*)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   (resid     45 and name    HN)         (resid     44 and name    HN)   3.400   1.600   1.600
assign   (resid     29 and name   HB*)         (resid     28 and name    HN)   3.900   2.100   2.100
assign   (resid     16 and name   HG*)         (resid     17 and name    HN)   3.400   1.600   1.600
assign (resid   27 and name HA) (resid   26 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 4. (67 viol avg 0.405)
assign   (resid     55 and name   HD*)         (resid     51 and name   HE1)   3.400   1.600   1.600
assign   (resid     64 and name   HB*)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign (resid   37 and name HG) (resid   38 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (26 viol avg 0.099)
!assign (resid   31 and name HG2*) (resid   28 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign   (resid     59 and name   HD2)         (resid     59 and name    HN)   3.400   1.600   1.600
assign   (resid     62 and name   HB*)         (resid     62 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name  HG1*)         (resid     34 and name    HN)   3.400   1.600   1.600
assign   ((resid   32 and name HB*) or (resid   30 and name HB*))
         (resid   31 and name HN)  
  2.900 1.100 1.100 ! incr to 5.0 after round 4. (95 viol avg 0.440)
assign (resid   51 and name HN) (resid   51 and name HD1)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (26 viol avg 0.085)
assign   (resid     21 and name    HN)         (resid     22 and name    HN)   2.900   1.100   1.100
assign (resid   7 and name HN) (resid   7 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (27 viol avg 0.043)
assign   (resid     51 and name   HD1)         (resid     51 and name   HE1)   2.300   0.500   0.500
assign   (resid     48 and name   HB*)         (resid     48 and name    HN)   2.900   1.100   1.100
assign (resid   10 and name HA) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (58 viol avg 0.581)
assign   (resid     26 and name    HN)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name    HN)         (resid     23 and name    HN)   2.900   1.100   1.100
assign (resid   24 and name HN) (resid   24 and name HE3)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (27 viol avg 0.135)
assign   (resid     58 and name    HN)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name    HA)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name  HD2*)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     16 and name   HB*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     48 and name   HB*)         (resid     48 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name   HB*)         (resid     11 and name    HN)   2.300   0.500   0.500
assign (resid   43 and name HN) (resid   45 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (27 viol avg 0.072)
assign   (resid     41 and name    HN)         (resid     41 and name    HA)   2.900   1.100   1.100
assign   (resid      2 and name    HN)         (resid      1 and name    HA)   2.300   0.500   0.500
assign   ((resid     25 and name   HG*)   or   (resid     22 and name  HG2*))
         (resid     24 and name   HE1)   
         3.900   2.100   2.100
assign   (resid     34 and name    HN)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     24 and name   HB*)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     59 and name    HN)   2.900   1.100   1.100
assign   (resid     29 and name   HB*)         (resid     30 and name    HN)   3.400   1.600   1.600
assign   (resid     28 and name   HA*)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   (resid     59 and name   HB*)         (resid     59 and name    HN)   3.400   1.600   1.600
assign   (resid     24 and name   HB*)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name    HE)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     33 and name    HN)   3.400   1.600   1.600
assign   (resid     49 and name    HB)         (resid     50 and name    HN)   3.900   2.100   2.100
assign   (resid     64 and name   HB*)         (resid     64 and name    HN)   2.300   0.500   0.500
assign   (resid     51 and name   HB*)         (resid     51 and name   HE1)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name    HN)   3.400   1.600   1.600
assign   (resid     24 and name    HN)         (resid     24 and name   HE1)   3.900   2.100   2.100
assign   (resid     25 and name   HG*)         (resid     26 and name    HN)   3.400   1.600   1.600
assign (resid   7 and name HD*) (resid   7 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 6. (50 viol avg 0.362)
assign   (resid     30 and name  HD**)         (resid     30 and name    HN)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     15 and name  HD2*)   2.900   1.100   1.100
assign   (resid     30 and name    HA)         (resid     31 and name    HN)   3.400   1.600   1.600
assign   (resid     55 and name    HA)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     15 and name    HN)   2.300   0.500   0.500
assign   (resid     21 and name    HN)         (resid     22 and name    HN)   2.900   1.100   1.100
assign   (resid     61 and name   HB*)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     51 and name   HE1)   3.900   2.100   2.100
assign   (resid     53 and name    HB)         (resid     54 and name    HN)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign (resid   11 and name HA) (resid   12 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 4. (53 viol avg 0.511)
assign   (resid     57 and name   HB*)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name  HD1*)         (resid     31 and name    HN)   3.400   1.600   1.600
assign   (resid     51 and name   HE3)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     54 and name    HN)   3.900   2.100   2.100
assign   (resid     22 and name    HN)         (resid     25 and name   HE*)   3.400   1.600   1.600
assign   (resid     60 and name   HB*)         (resid     60 and name    HN)   2.900   1.100   1.100
assign (resid   11 and name HB*) (resid   9 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (32 viol avg 0.109)
assign (resid   43 and name HA) (resid   42 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 5. (78 viol avg 0.266)
assign   (resid     11 and name   HB*)         (resid     12 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     25 and name   HB*)         (resid     25 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name    HN)         (resid      2 and name    HN)   3.400   1.600   1.600
assign   (resid      8 and name   HB*)         (resid      5 and name    HN)   3.400   1.600   1.600
assign   (resid      2 and name    HA)         (resid      2 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name    HA)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   ((resid     37 and name   HB*)   or   (resid     41 and name    HG))
         (resid     38 and name    HN)   
         3.400   1.600   1.600
assign   (resid     46 and name    HA)         (resid     46 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     25 and name   HB*)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     44 and name    HB)         (resid     45 and name    HN)   2.900   1.100   1.100
assign   ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
         (resid     35 and name    HN)   
         3.400   1.600   1.600
assign   (resid     52 and name    HB)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     42 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     37 and name    HA)   2.900   1.100   1.100
assign (resid   51 and name HH2) (resid   51 and name HE1)  3.400 1.600 1.600 ! incr to 5.0 after round 2. (100 viol avg 0.952)
assign   (resid     43 and name  HG2*)         (resid     43 and name    HN)   3.400   1.600   1.600
assign   (resid     64 and name    HN)         (resid     63 and name    HA)   2.300   0.500   0.500
assign   (resid     20 and name    HN)         (resid     19 and name    HN)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     23 and name    HA)   2.900   1.100   1.100
assign   (resid     22 and name    HN)         (resid     21 and name   HD*)   3.900   2.100   2.100
assign   (resid     12 and name   HA*)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   (resid     35 and name   HB*)         (resid     35 and name    HN)   2.900   1.100   1.100
assign   (resid      6 and name    HN)         (resid      6 and name   HB*)   2.300   0.500   0.500
assign   (resid     57 and name   HD*)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   (resid     40 and name    HA)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HG*)         (resid     25 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name    HG)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid      6 and name    HN)         (resid      5 and name   HA*)   2.300   0.500   0.500
assign   (resid     28 and name    HN)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name   HG*)         (resid     59 and name    HN)   3.400   1.600   1.600
assign   (resid      4 and name    HN)         (resid      5 and name    HN)   2.300   0.500   0.500
assign   (resid     24 and name    HA)         (resid     25 and name    HN)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name  HD2*)   2.900   1.100   1.100
assign   (resid     31 and name    HB)         (resid     31 and name    HN)   2.900   1.100   1.100
assign   (resid      8 and name    HA)         (resid      8 and name    HN)   2.300   0.500   0.500
assign   (resid     34 and name  HG1*)         (resid     34 and name    HN)   2.900   1.100   1.100
assign (resid   14 and name HN) (resid   13 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (29 viol avg 0.104)
assign   (resid     24 and name   HD1)         (resid     24 and name   HE1)   2.300   0.500   0.500
assign   (resid     46 and name   HB*)         (resid     46 and name  HD2*)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name   HB*)   2.900   1.100   1.100
assign   (resid     27 and name    HA)         (resid     28 and name    HN)   2.900   1.100   1.100
assign (resid   24 and name HZ2) (resid   24 and name HE1)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (93 viol avg 0.057)
assign   (resid     51 and name    HA)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     45 and name    HN)         (resid     45 and name   HA*)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid     10 and name    HN)   2.900   1.100   1.100
assign   (resid     17 and name   HB*)         (resid     17 and name    HN)   2.300   0.500   0.500
assign (resid   27 and name HB*) (resid   27 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (55 viol avg 0.092)
assign   (resid     51 and name   HB*)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     36 and name    HA)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   ((resid     37 and name  HD**)   or   (resid     34 and name  HG2*))
         (resid     37 and name    HN)   
         2.900   1.100   1.100
assign   (resid     45 and name    HN)         (resid     45 and name   HA*)   2.300   0.500   0.500
assign   (resid     21 and name   HB*)         (resid     22 and name    HN)   3.400   1.600   1.600
assign   (resid     43 and name    HA)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name    HN)         (resid     18 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name   HB*)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name    HN)         (resid     45 and name   HA*)   2.900   1.100   1.100
assign   (resid     20 and name    HN)         (resid     21 and name    HN)   2.900   1.100   1.100
assign   (resid     14 and name    HN)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   (resid      4 and name    HN)         (resid      3 and name   HG*)   3.400   1.600   1.600
assign   (resid     43 and name    HN)         (resid     42 and name    HN)   2.900   1.100   1.100
assign   (resid      3 and name    HN)         (resid      2 and name    HN)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     34 and name    HA)   3.900   2.100   2.100
assign   (resid     14 and name    HA)         (resid     17 and name    HN)   2.900   1.100   1.100
assign (resid   15 and name HA) (resid   15 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (31 viol avg 0.106)
assign   (resid     48 and name    HN)         (resid     47 and name    HN)   2.900   1.100   1.100
assign   (resid     26 and name   HB*)         (resid     26 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name   HB*)         (resid     37 and name    HN)   2.900   1.100   1.100
assign   (resid     20 and name    HN)         (resid     19 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     20 and name    HN)         (resid     21 and name   HD*)   3.900   2.100   2.100
assign   (resid     24 and name   HH2)         (resid     24 and name   HE1)   3.400   1.600   1.600
assign   (resid     43 and name    HN)         (resid     43 and name    HB)   2.900   1.100   1.100
assign   (resid     16 and name    HA)         (resid     17 and name    HN)   2.300   0.500   0.500
assign (resid   26 and name HB*) (resid   27 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (30 viol avg 0.161)
assign   (resid     52 and name    HB)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     32 and name   HB*)         (resid     33 and name    HN)   3.400   1.600   1.600
assign   (resid      9 and name    HN)         (resid     10 and name    HN)   2.300   0.500   0.500
!assign (resid   57 and name HE*) (resid   57 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (36 viol avg 0.098)
assign   (resid     35 and name    HA)         (resid     36 and name    HN)   2.900   1.100   1.100
assign (resid   48 and name HB*) (resid   51 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 7. (57 viol avg 0.145)
assign   (resid     46 and name  HD2*)         (resid     46 and name    HN)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   (resid     26 and name   HB*)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name   HB*)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     43 and name    HA)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     61 and name    HA)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name   HB*)         (resid     16 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name    HA)         (resid     15 and name  HD2*)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     31 and name    HN)   3.900   2.100   2.100
assign (resid   9 and name HN) (resid   9 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (92 viol avg 0.073)
assign   (resid     40 and name   HB*)         (resid     40 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name    HA)         (resid     38 and name    HN)   3.900   2.100   2.100
assign   ((resid      3 and name   HB*)   or   (resid      2 and name   HB*))
         (resid      3 and name    HN)   
         2.300   0.500   0.500
assign   (resid     22 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     18 and name    HN)         (resid     17 and name   HB*)   2.900   1.100   1.100
assign   (resid     14 and name    HN)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   (resid     36 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name  HD2*)         (resid     46 and name    HN)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     33 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name   HD*)         (resid     11 and name    HN)   3.400   1.600   1.600
assign   (resid     56 and name    HA)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   ((resid     48 and name    HG)   or   (resid     48 and name   HB*)) 
         (resid     49 and name    HN)    
         2.900   1.100   1.100
assign   (resid     52 and name    HA)         (resid     53 and name    HN)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     25 and name    HN)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     49 and name    HN)   3.400   1.600   1.600
assign   (resid     28 and name    HN)         (resid     29 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HE)   3.400   1.600   1.600
assign   ((resid     35 and name    HB*)   or   (resid     39 and name   HB*))
         (resid     36 and name    HN)   
         2.900   1.100   1.100
assign   (resid     60 and name    HA)         (resid     60 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name    HA)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     12 and name    HN)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HN)   3.400   1.600   1.600
assign   (resid     47 and name   HA*)         (resid     47 and name    HN)   2.900   1.100   1.100


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  29.104   3.558 -37.401
    2    H2   MET   1           HT2      MET   1  27.421   3.572 -37.633
    3    H3   MET   1           HT3      MET   1  28.424   4.532 -38.612
    4    HA   MET   1           HA       MET   1  27.612   1.852 -38.986
    5    HB2  MET   1           HB2      MET   1  29.407   3.678 -40.614
    6    HB3  MET   1           HB1      MET   1  28.552   2.255 -41.212
    7    HG2  MET   1           HG2      MET   1  26.729   3.512 -41.596
    8    HG3  MET   1           HG1      MET   1  26.651   3.919 -39.882
    9    HE1  MET   1           HE1      MET   1  27.733   4.812 -43.398
   10    HE2  MET   1           HE2      MET   1  27.534   6.561 -43.331
   11    HE3  MET   1           HE3      MET   1  26.179   5.511 -42.923
   12    H    GLU   2           HN       GLU   2  28.954   1.023 -37.080
   13    HA   GLU   2           HA       GLU   2  31.798   0.701 -37.636
   14    HB2  GLU   2           HB2      GLU   2  30.773   1.085 -35.312
   15    HB3  GLU   2           HB1      GLU   2  30.260  -0.602 -35.394
   16    HG2  GLU   2           HG2      GLU   2  32.752  -1.060 -36.046
   17    HG3  GLU   2           HG1      GLU   2  33.049   0.522 -35.327
   18    H    GLU   3           HN       GLU   3  31.867  -0.597 -39.473
   19    HA   GLU   3           HA       GLU   3  30.387  -2.884 -40.008
   20    HB2  GLU   3           HB2      GLU   3  33.232  -2.165 -40.726
   21    HB3  GLU   3           HB1      GLU   3  32.416  -3.598 -41.354
   22    HG2  GLU   3           HG2      GLU   3  30.990  -0.981 -41.558
   23    HG3  GLU   3           HG1      GLU   3  32.334  -1.274 -42.660
   24    H    GLY   4           HN       GLY   4  31.951  -5.059 -40.290
   25    HA2  GLY   4           HA2      GLY   4  33.673  -6.183 -38.725
   26    HA3  GLY   4           HA1      GLY   4  32.462  -5.840 -37.493
   27    H    GLY   5           HN       GLY   5  30.677  -6.340 -40.150
   28    HA2  GLY   5           HA2      GLY   5  29.314  -8.058 -40.850
   29    HA3  GLY   5           HA1      GLY   5  30.757  -9.062 -40.740
   30    H    ASP   6           HN       ASP   6  28.806 -10.556 -40.179
   31    HA   ASP   6           HA       ASP   6  27.507 -10.422 -37.701
   32    HB2  ASP   6           HB2      ASP   6  27.682 -12.255 -39.837
   33    HB3  ASP   6           HB1      ASP   6  28.123 -13.151 -38.384
   34    H    PHE   7           HN       PHE   7  27.956 -12.491 -36.142
   35    HA   PHE   7           HA       PHE   7  29.244 -13.303 -34.434
   36    HB2  PHE   7           HB2      PHE   7  30.810 -14.520 -35.487
   37    HB3  PHE   7           HB1      PHE   7  30.989 -13.332 -36.773
   38    HD1  PHE   7           HD1      PHE   7  32.128 -14.346 -33.410
   39    HD2  PHE   7           HD2      PHE   7  32.683 -11.596 -36.663
   40    HE1  PHE   7           HE1      PHE   7  34.276 -13.605 -32.417
   41    HE2  PHE   7           HE2      PHE   7  34.830 -10.855 -35.670
   42    HZ   PHE   7           HZ       PHE   7  35.628 -11.859 -33.547
   43    H    ASP   8           HN       ASP   8  29.520 -10.169 -35.571
   44    HA   ASP   8           HA       ASP   8  31.580  -8.947 -34.251
   45    HB2  ASP   8           HB2      ASP   8  30.206  -7.555 -35.555
   46    HB3  ASP   8           HB1      ASP   8  28.740  -8.073 -34.724
   47    H    ASN   9           HN       ASN   9  32.194  -9.750 -32.286
   48    HA   ASN   9           HA       ASN   9  30.200  -9.837 -30.125
   49    HB2  ASN   9           HB2      ASN   9  31.634 -11.830 -30.485
   50    HB3  ASN   9           HB1      ASN   9  33.055 -10.840 -30.155
   51   HD21  ASN   9          HD21      ASN   9  29.866 -11.558 -28.604
   52   HD22  ASN   9          HD22      ASN   9  30.494 -11.624 -27.029
   53    H    TYR  10           HN       TYR  10  31.362  -7.344 -31.262
   54    HA   TYR  10           HA       TYR  10  32.076  -5.305 -30.481
   55    HB2  TYR  10           HB2      TYR  10  31.957  -6.414 -27.684
   56    HB3  TYR  10           HB1      TYR  10  31.655  -4.764 -28.231
   57    HD1  TYR  10           HD1      TYR  10  29.648  -4.382 -29.816
   58    HD2  TYR  10           HD2      TYR  10  30.175  -7.937 -27.463
   59    HE1  TYR  10           HE1      TYR  10  27.236  -4.901 -30.061
   60    HE2  TYR  10           HE2      TYR  10  27.762  -8.456 -27.708
   61    HH   TYR  10           HH       TYR  10  25.852  -7.301 -29.936
   62    H    TYR  11           HN       TYR  11  33.450  -7.493 -28.024
   63    HA   TYR  11           HA       TYR  11  35.631  -7.995 -27.486
   64    HB2  TYR  11           HB2      TYR  11  35.672  -8.009 -30.185
   65    HB3  TYR  11           HB1      TYR  11  36.779  -6.671 -29.877
   66    HD1  TYR  11           HD1      TYR  11  38.753  -7.032 -28.330
   67    HD2  TYR  11           HD2      TYR  11  36.323 -10.262 -29.784
   68    HE1  TYR  11           HE1      TYR  11  40.541  -8.645 -27.736
   69    HE2  TYR  11           HE2      TYR  11  38.110 -11.875 -29.189
   70    HH   TYR  11           HH       TYR  11  41.220 -10.761 -27.856
   71    H    GLY  12           HN       GLY  12  37.405  -6.979 -26.496
   72    HA2  GLY  12           HA2      GLY  12  38.241  -5.261 -25.181
   73    HA3  GLY  12           HA1      GLY  12  38.422  -4.475 -26.746
   74    H    ALA  13           HN       ALA  13  35.304  -5.326 -25.394
   75    HA   ALA  13           HA       ALA  13  34.268  -2.705 -25.722
   76    HB1  ALA  13           HB1      ALA  13  33.111  -4.864 -23.955
   77    HB2  ALA  13           HB2      ALA  13  32.950  -4.873 -25.711
   78    HB3  ALA  13           HB3      ALA  13  32.252  -3.556 -24.768
   79    H    ASP  14           HN       ASP  14  36.053  -4.209 -23.202
   80    HA   ASP  14           HA       ASP  14  35.161  -2.843 -20.933
   81    HB2  ASP  14           HB2      ASP  14  37.638  -4.233 -21.749
   82    HB3  ASP  14           HB1      ASP  14  37.825  -3.052 -20.454
   83    H    ASN  15           HN       ASN  15  36.633  -1.622 -23.731
   84    HA   ASN  15           HA       ASN  15  38.111   0.548 -22.649
   85    HB2  ASN  15           HB2      ASN  15  38.294  -0.332 -24.999
   86    HB3  ASN  15           HB1      ASN  15  36.746   0.438 -25.344
   87   HD21  ASN  15          HD21      ASN  15  39.784   1.441 -23.649
   88   HD22  ASN  15          HD22      ASN  15  39.894   2.936 -24.444
   89    H    GLN  16           HN       GLN  16  34.929  -0.072 -22.306
   90    HA   GLN  16           HA       GLN  16  34.301   2.782 -21.959
   91    HB2  GLN  16           HB2      GLN  16  32.360   0.826 -23.200
   92    HB3  GLN  16           HB1      GLN  16  32.161   2.569 -23.017
   93    HG2  GLN  16           HG2      GLN  16  34.247   2.828 -24.460
   94    HG3  GLN  16           HG1      GLN  16  34.102   1.108 -24.818
   95   HE21  GLN  16          HE21      GLN  16  31.694   0.502 -25.538
   96   HE22  GLN  16          HE22      GLN  16  30.990   1.577 -26.649
   97    H    SER  17           HN       SER  17  35.078   0.973 -19.969
   98    HA   SER  17           HA       SER  17  32.607   0.876 -18.376
   99    HB2  SER  17           HB2      SER  17  32.578  -1.361 -18.292
  100    HB3  SER  17           HB1      SER  17  33.946  -1.418 -19.400
  101    HG   SER  17           HG       SER  17  34.142  -1.012 -16.595
  102    H    GLU  18           HN       GLU  18  33.089   0.587 -16.029
  103    HA   GLU  18           HA       GLU  18  34.809   2.524 -15.057
  104    HB2  GLU  18           HB2      GLU  18  34.688   1.114 -12.882
  105    HB3  GLU  18           HB1      GLU  18  33.188   1.764 -13.544
  106    HG2  GLU  18           HG2      GLU  18  32.408  -0.295 -14.165
  107    HG3  GLU  18           HG1      GLU  18  34.016  -0.897 -14.566
  108    H    CYS  19           HN       CYS  19  36.832   2.371 -16.083
  109    HA   CYS  19           HA       CYS  19  38.607   0.350 -14.890
  110    HB2  CYS  19           HB2      CYS  19  38.021   0.740 -17.766
  111    HB3  CYS  19           HB1      CYS  19  39.724   0.567 -17.342
  112    HG   CYS  19           HG       CYS  19  37.589  -1.571 -16.515
  113    H    GLU  20           HN       GLU  20  38.698   3.115 -17.153
  114    HA   GLU  20           HA       GLU  20  40.597   4.458 -15.356
  115    HB2  GLU  20           HB2      GLU  20  41.080   4.105 -18.324
  116    HB3  GLU  20           HB1      GLU  20  42.116   4.970 -17.188
  117    HG2  GLU  20           HG2      GLU  20  42.135   2.707 -15.878
  118    HG3  GLU  20           HG1      GLU  20  41.620   2.013 -17.414
  119    H    TYR  21           HN       TYR  21  37.858   5.001 -15.761
  120    HA   TYR  21           HA       TYR  21  38.061   7.697 -16.922
  121    HB2  TYR  21           HB2      TYR  21  36.485   7.372 -18.501
  122    HB3  TYR  21           HB1      TYR  21  36.793   5.651 -18.273
  123    HD1  TYR  21           HD2      TYR  21  35.479   4.459 -16.375
  124    HD2  TYR  21           HD1      TYR  21  34.360   8.259 -18.036
  125    HE1  TYR  21           HE2      TYR  21  33.174   4.159 -15.508
  126    HE2  TYR  21           HE1      TYR  21  32.056   7.959 -17.169
  127    HH   TYR  21           HH       TYR  21  30.612   6.492 -16.260
  128    H    THR  22           HN       THR  22  37.537   5.961 -14.269
  129    HA   THR  22           HA       THR  22  35.693   7.966 -13.151
  130    HB   THR  22           HB       THR  22  34.374   5.931 -13.661
  131    HG1  THR  22           HG1      THR  22  33.573   6.904 -11.930
  132   HG21  THR  22          HG21      THR  22  34.903   3.820 -12.772
  133   HG22  THR  22          HG22      THR  22  36.016   4.498 -11.584
  134   HG23  THR  22          HG23      THR  22  36.470   4.443 -13.287
  135    H    ASP  23           HN       ASP  23  38.110   5.449 -12.616
  136    HA   ASP  23           HA       ASP  23  38.505   6.048  -9.842
  137    HB2  ASP  23           HB2      ASP  23  39.263   4.002 -11.543
  138    HB3  ASP  23           HB1      ASP  23  40.781   4.838 -11.219
  139    H    TRP  24           HN       TRP  24  39.946   7.119 -12.866
  140    HA   TRP  24           HA       TRP  24  41.943   8.715 -11.433
  141    HB2  TRP  24           HB2      TRP  24  43.149   8.718 -13.360
  142    HB3  TRP  24           HB1      TRP  24  42.132   7.333 -13.758
  143    HD1  TRP  24           HD1      TRP  24  40.020   7.776 -15.361
  144    HE1  TRP  24           HE1      TRP  24  39.597   9.602 -17.133
  145    HE3  TRP  24           HE3      TRP  24  43.581  11.173 -13.997
  146    HZ2  TRP  24           HZ2      TRP  24  40.632  12.163 -17.873
  147    HZ3  TRP  24           HZ3      TRP  24  43.841  13.294 -15.250
  148    HH2  TRP  24           HH2      TRP  24  42.372  13.793 -17.185
  149    H    LYS  25           HN       LYS  25  38.816   9.104 -11.951
  150    HA   LYS  25           HA       LYS  25  38.260  11.364 -13.370
  151    HB2  LYS  25           HB2      LYS  25  36.571  10.101 -12.098
  152    HB3  LYS  25           HB1      LYS  25  37.231  10.737 -10.591
  153    HG2  LYS  25           HG2      LYS  25  36.109  12.677 -10.831
  154    HG3  LYS  25           HG1      LYS  25  36.701  12.879 -12.481
  155    HD2  LYS  25           HD2      LYS  25  34.434  11.008 -11.749
  156    HD3  LYS  25           HD1      LYS  25  34.183  12.671 -12.280
  157    HE2  LYS  25           HE2      LYS  25  36.015  11.276 -14.052
  158    HE3  LYS  25           HE1      LYS  25  34.477  10.423 -13.928
  159    HZ1  LYS  25           HZ1      LYS  25  34.397  13.327 -14.235
  160    HZ2  LYS  25           HZ2      LYS  25  33.336  12.143 -14.832
  161    HZ3  LYS  25           HZ3      LYS  25  34.830  12.412 -15.596
  162    H    SER  26           HN       SER  26  39.988  11.150 -10.324
  163    HA   SER  26           HA       SER  26  41.027  13.825 -10.678
  164    HB2  SER  26           HB2      SER  26  40.274  14.363  -8.228
  165    HB3  SER  26           HB1      SER  26  39.155  14.632  -9.562
  166    HG   SER  26           HG       SER  26  37.941  13.395  -8.329
  167    H    SER  27           HN       SER  27  40.543  11.828  -7.773
  168    HA   SER  27           HA       SER  27  42.040  10.648  -6.475
  169    HB2  SER  27           HB2      SER  27  44.360  11.065  -8.257
  170    HB3  SER  27           HB1      SER  27  43.759   9.586  -7.513
  171    HG   SER  27           HG       SER  27  41.939  10.461  -9.239
  172    H    GLY  28           HN       GLY  28  43.620  13.369  -8.152
  173    HA2  GLY  28           HA2      GLY  28  44.653  14.287  -5.530
  174    HA3  GLY  28           HA1      GLY  28  45.501  14.528  -7.054
  175    H    ALA  29           HN       ALA  29  42.051  14.850  -6.941
  176    HA   ALA  29           HA       ALA  29  42.040  17.700  -6.484
  177    HB1  ALA  29           HB1      ALA  29  41.176  16.832  -9.232
  178    HB2  ALA  29           HB2      ALA  29  42.846  17.303  -8.916
  179    HB3  ALA  29           HB3      ALA  29  41.538  18.456  -8.648
  180    H    LEU  30           HN       LEU  30  40.728  15.754  -5.120
  181    HA   LEU  30           HA       LEU  30  38.014  16.561  -5.334
  182    HB2  LEU  30           HB2      LEU  30  38.096  15.002  -7.270
  183    HB3  LEU  30           HB1      LEU  30  38.607  13.714  -6.184
  184    HG   LEU  30           HG       LEU  30  36.504  13.998  -4.884
  185   HD11  LEU  30          HD11      LEU  30  36.154  16.221  -6.855
  186   HD12  LEU  30          HD12      LEU  30  35.709  16.153  -5.150
  187   HD13  LEU  30          HD13      LEU  30  34.718  15.329  -6.353
  188   HD21  LEU  30          HD21      LEU  30  35.120  12.842  -6.431
  189   HD22  LEU  30          HD22      LEU  30  36.769  12.457  -6.927
  190   HD23  LEU  30          HD23      LEU  30  35.841  13.667  -7.813
  191    H    ILE  31           HN       ILE  31  40.415  14.300  -4.138
  192    HA   ILE  31           HA       ILE  31  38.857  13.363  -1.928
  193    HB   ILE  31           HB       ILE  31  41.854  13.322  -1.921
  194   HG12  ILE  31          HG12      ILE  31  41.344  12.751  -4.217
  195   HG13  ILE  31          HG11      ILE  31  41.690  11.252  -3.358
  196   HG21  ILE  31          HG21      ILE  31  40.519  12.359  -0.054
  197   HG22  ILE  31          HG22      ILE  31  41.477  11.143  -0.898
  198   HG23  ILE  31          HG23      ILE  31  39.745  11.269  -1.204
  199   HD11  ILE  31          HD11      ILE  31  39.738  10.655  -4.458
  200   HD12  ILE  31          HD12      ILE  31  39.073  12.285  -4.387
  201   HD13  ILE  31          HD13      ILE  31  39.064  11.267  -2.949
  202    HA   PRO  32           HA       PRO  32  41.637  16.686   0.376
  203    HB2  PRO  32           HB2      PRO  32  41.410  18.889  -1.593
  204    HB3  PRO  32           HB1      PRO  32  42.812  18.365  -0.642
  205    HG2  PRO  32           HG2      PRO  32  42.635  17.918  -3.272
  206    HG3  PRO  32           HG1      PRO  32  43.425  16.776  -2.170
  207    HD2  PRO  32           HD2      PRO  32  40.724  16.597  -3.453
  208    HD3  PRO  32           HD1      PRO  32  41.893  15.306  -3.101
  209    H    ALA  33           HN       ALA  33  38.725  16.789  -1.345
  210    HA   ALA  33           HA       ALA  33  37.615  18.993   0.251
  211    HB1  ALA  33           HB1      ALA  33  36.563  19.404  -1.690
  212    HB2  ALA  33           HB2      ALA  33  35.595  17.964  -1.374
  213    HB3  ALA  33           HB3      ALA  33  37.053  17.847  -2.359
  214    H    ILE  34           HN       ILE  34  36.493  15.754  -0.758
  215    HA   ILE  34           HA       ILE  34  34.535  15.430   1.188
  216    HB   ILE  34           HB       ILE  34  36.248  13.165   0.167
  217   HG12  ILE  34          HG12      ILE  34  34.127  14.802  -1.238
  218   HG13  ILE  34          HG11      ILE  34  35.751  14.410  -1.805
  219   HG21  ILE  34          HG21      ILE  34  34.439  11.821   0.675
  220   HG22  ILE  34          HG22      ILE  34  33.271  13.118   0.426
  221   HG23  ILE  34          HG23      ILE  34  34.225  13.063   1.908
  222   HD11  ILE  34          HD11      ILE  34  34.844  11.914  -1.511
  223   HD12  ILE  34          HD12      ILE  34  34.559  12.830  -2.991
  224   HD13  ILE  34          HD13      ILE  34  33.293  12.714  -1.768
  225    H    TYR  35           HN       TYR  35  38.005  15.021   1.403
  226    HA   TYR  35           HA       TYR  35  37.895  13.728   3.996
  227    HB2  TYR  35           HB2      TYR  35  39.706  13.326   2.275
  228    HB3  TYR  35           HB1      TYR  35  40.305  14.944   2.638
  229    HD1  TYR  35           HD1      TYR  35  39.549  11.622   4.145
  230    HD2  TYR  35           HD2      TYR  35  41.591  15.375   4.591
  231    HE1  TYR  35           HE1      TYR  35  40.741  10.737   6.132
  232    HE2  TYR  35           HE2      TYR  35  42.784  14.489   6.578
  233    HH   TYR  35           HH       TYR  35  43.402  11.856   7.326
  234    H    MET  36           HN       MET  36  37.542  16.868   2.895
  235    HA   MET  36           HA       MET  36  38.736  18.095   5.280
  236    HB2  MET  36           HB2      MET  36  39.177  19.160   3.108
  237    HB3  MET  36           HB1      MET  36  37.443  19.361   2.851
  238    HG2  MET  36           HG2      MET  36  37.386  21.206   4.145
  239    HG3  MET  36           HG1      MET  36  38.251  20.392   5.448
  240    HE1  MET  36           HE1      MET  36  40.776  19.530   4.788
  241    HE2  MET  36           HE2      MET  36  40.698  20.768   6.038
  242    HE3  MET  36           HE3      MET  36  41.916  20.882   4.771
  243    H    LEU  37           HN       LEU  37  35.641  17.401   3.789
  244    HA   LEU  37           HA       LEU  37  34.175  18.944   5.782
  245    HB2  LEU  37           HB2      LEU  37  33.059  17.084   3.676
  246    HB3  LEU  37           HB1      LEU  37  32.210  18.369   4.537
  247    HG   LEU  37           HG       LEU  37  34.523  18.754   2.613
  248   HD11  LEU  37          HD11      LEU  37  32.336  18.149   1.565
  249   HD12  LEU  37          HD12      LEU  37  32.855  19.786   1.161
  250   HD13  LEU  37          HD13      LEU  37  31.600  19.533   2.375
  251   HD21  LEU  37          HD21      LEU  37  33.026  20.576   4.472
  252   HD22  LEU  37          HD22      LEU  37  33.608  21.213   2.934
  253   HD23  LEU  37          HD23      LEU  37  34.749  20.538   4.097
  254    H    VAL  38           HN       VAL  38  35.388  15.775   5.372
  255    HA   VAL  38           HA       VAL  38  33.497  14.661   7.335
  256    HB   VAL  38           HB       VAL  38  35.552  13.314   5.566
  257   HG11  VAL  38          HG11      VAL  38  35.430  11.844   7.354
  258   HG12  VAL  38          HG12      VAL  38  34.045  11.293   6.412
  259   HG13  VAL  38          HG13      VAL  38  33.802  12.356   7.799
  260   HG21  VAL  38          HG21      VAL  38  33.739  12.637   4.220
  261   HG22  VAL  38          HG22      VAL  38  33.341  14.310   4.611
  262   HG23  VAL  38          HG23      VAL  38  32.555  12.991   5.478
  263    H    PHE  39           HN       PHE  39  36.420  16.210   7.267
  264    HA   PHE  39           HA       PHE  39  37.883  14.625   9.167
  265    HB2  PHE  39           HB2      PHE  39  39.302  15.958   7.907
  266    HB3  PHE  39           HB1      PHE  39  38.205  17.339   7.942
  267    HD1  PHE  39           HD2      PHE  39  40.364  15.232  10.158
  268    HD2  PHE  39           HD1      PHE  39  38.505  19.052   9.524
  269    HE1  PHE  39           HE2      PHE  39  41.576  16.147  12.118
  270    HE2  PHE  39           HE1      PHE  39  39.717  19.967  11.485
  271    HZ   PHE  39           HZ       PHE  39  41.252  18.515  12.782
  272    H    LEU  40           HN       LEU  40  35.784  17.469   9.323
  273    HA   LEU  40           HA       LEU  40  36.095  17.602  12.233
  274    HB2  LEU  40           HB2      LEU  40  34.612  19.620  11.995
  275    HB3  LEU  40           HB1      LEU  40  36.135  19.731  11.111
  276    HG   LEU  40           HG       LEU  40  34.026  18.474   9.526
  277   HD11  LEU  40          HD11      LEU  40  32.583  19.980  10.832
  278   HD12  LEU  40          HD12      LEU  40  32.731  20.557   9.172
  279   HD13  LEU  40          HD13      LEU  40  33.647  21.336  10.462
  280   HD21  LEU  40          HD21      LEU  40  34.848  20.035   7.853
  281   HD22  LEU  40          HD22      LEU  40  36.232  19.371   8.721
  282   HD23  LEU  40          HD23      LEU  40  35.656  20.996   9.092
  283    H    LEU  41           HN       LEU  41  34.391  15.716  10.244
  284    HA   LEU  41           HA       LEU  41  32.161  15.488  12.155
  285    HB2  LEU  41           HB2      LEU  41  31.976  15.785   9.167
  286    HB3  LEU  41           HB1      LEU  41  30.727  14.928  10.071
  287    HG   LEU  41           HG       LEU  41  31.603  17.597  11.091
  288   HD11  LEU  41          HD11      LEU  41  29.801  17.164   8.690
  289   HD12  LEU  41          HD12      LEU  41  31.322  18.056   8.718
  290   HD13  LEU  41          HD13      LEU  41  29.918  18.679   9.584
  291   HD21  LEU  41          HD21      LEU  41  28.802  16.527  10.801
  292   HD22  LEU  41          HD22      LEU  41  29.443  17.635  12.014
  293   HD23  LEU  41          HD23      LEU  41  29.854  15.922  12.081
  294    H    GLY  42           HN       GLY  42  34.714  14.006  11.542
  295    HA2  GLY  42           HA2      GLY  42  33.478  11.340  11.310
  296    HA3  GLY  42           HA1      GLY  42  34.872  11.735  10.310
  297    H    THR  43           HN       THR  43  35.161  13.389  13.173
  298    HA   THR  43           HA       THR  43  36.229  11.280  14.825
  299    HB   THR  43           HB       THR  43  38.044  13.078  13.244
  300    HG1  THR  43           HG1      THR  43  38.899  10.617  13.950
  301   HG21  THR  43          HG21      THR  43  38.435  12.014  16.031
  302   HG22  THR  43          HG22      THR  43  38.818  13.613  15.394
  303   HG23  THR  43          HG23      THR  43  39.815  12.226  14.953
  304    H    THR  44           HN       THR  44  36.652  14.778  14.223
  305    HA   THR  44           HA       THR  44  37.003  15.623  16.830
  306    HB   THR  44           HB       THR  44  35.695  16.947  14.460
  307    HG1  THR  44           HG1      THR  44  37.857  16.852  14.262
  308   HG21  THR  44          HG21      THR  44  34.602  18.079  16.196
  309   HG22  THR  44          HG22      THR  44  36.046  19.060  15.951
  310   HG23  THR  44          HG23      THR  44  35.973  17.918  17.293
  311    H    GLY  45           HN       GLY  45  34.132  14.445  15.296
  312    HA2  GLY  45           HA2      GLY  45  32.078  15.569  16.759
  313    HA3  GLY  45           HA1      GLY  45  32.066  13.910  16.169
  314    H    ASN  46           HN       ASN  46  33.195  12.287  17.532
  315    HA   ASN  46           HA       ASN  46  33.286  13.014  20.386
  316    HB2  ASN  46           HB2      ASN  46  31.692  10.770  19.144
  317    HB3  ASN  46           HB1      ASN  46  32.115  10.810  20.855
  318   HD21  ASN  46          HD21      ASN  46  30.702  13.057  18.396
  319   HD22  ASN  46          HD22      ASN  46  29.537  13.697  19.451
  320    H    GLY  47           HN       GLY  47  33.267   9.693  19.798
  321    HA2  GLY  47           HA2      GLY  47  34.928   8.130  20.223
  322    HA3  GLY  47           HA1      GLY  47  35.679   8.919  18.839
  323    H    LEU  48           HN       LEU  48  35.133  10.790  21.692
  324    HA   LEU  48           HA       LEU  48  37.932  10.439  22.552
  325    HB2  LEU  48           HB2      LEU  48  36.555  12.997  21.764
  326    HB3  LEU  48           HB1      LEU  48  37.894  13.003  22.913
  327    HG   LEU  48           HG       LEU  48  38.297  11.432  20.421
  328   HD11  LEU  48          HD11      LEU  48  37.342  13.310  19.346
  329   HD12  LEU  48          HD12      LEU  48  39.072  13.649  19.334
  330   HD13  LEU  48          HD13      LEU  48  38.027  14.436  20.517
  331   HD21  LEU  48          HD21      LEU  48  40.566  12.306  20.680
  332   HD22  LEU  48          HD22      LEU  48  40.003  11.678  22.229
  333   HD23  LEU  48          HD23      LEU  48  40.021  13.417  21.937
  334    H    VAL  49           HN       VAL  49  34.757  11.859  23.290
  335    HA   VAL  49           HA       VAL  49  35.027  12.536  25.925
  336    HB   VAL  49           HB       VAL  49  32.939  12.813  24.647
  337   HG11  VAL  49          HG11      VAL  49  31.655  11.051  23.900
  338   HG12  VAL  49          HG12      VAL  49  32.155   9.990  25.217
  339   HG13  VAL  49          HG13      VAL  49  33.236  10.270  23.852
  340   HG21  VAL  49          HG21      VAL  49  31.470  12.496  26.488
  341   HG22  VAL  49          HG22      VAL  49  33.060  12.701  27.222
  342   HG23  VAL  49          HG23      VAL  49  32.364  11.089  27.062
  343    H    LEU  50           HN       LEU  50  35.347   9.412  24.566
  344    HA   LEU  50           HA       LEU  50  34.899   8.044  27.115
  345    HB2  LEU  50           HB2      LEU  50  35.766   6.877  24.462
  346    HB3  LEU  50           HB1      LEU  50  35.154   5.996  25.862
  347    HG   LEU  50           HG       LEU  50  33.180   7.885  25.407
  348   HD11  LEU  50          HD11      LEU  50  33.943   6.717  22.722
  349   HD12  LEU  50          HD12      LEU  50  34.418   8.343  23.215
  350   HD13  LEU  50          HD13      LEU  50  32.710   7.931  23.065
  351   HD21  LEU  50          HD21      LEU  50  33.443   5.017  24.454
  352   HD22  LEU  50          HD22      LEU  50  31.923   5.912  24.466
  353   HD23  LEU  50          HD23      LEU  50  32.756   5.568  25.982
  354    H    TRP  51           HN       TRP  51  37.509   8.616  24.770
  355    HA   TRP  51           HA       TRP  51  39.565   7.199  25.954
  356    HB2  TRP  51           HB2      TRP  51  40.387   8.105  24.048
  357    HB3  TRP  51           HB1      TRP  51  39.368   9.539  24.176
  358    HD1  TRP  51           HD1      TRP  51  42.584   8.064  25.715
  359    HE1  TRP  51           HE1      TRP  51  44.092  10.018  26.459
  360    HE3  TRP  51           HE3      TRP  51  39.497  12.001  24.690
  361    HZ2  TRP  51           HZ2      TRP  51  44.001  12.873  26.601
  362    HZ3  TRP  51           HZ3      TRP  51  40.232  14.324  25.138
  363    HH2  TRP  51           HH2      TRP  51  42.478  14.765  26.092
  364    H    THR  52           HN       THR  52  38.868  10.663  26.494
  365    HA   THR  52           HA       THR  52  40.684  11.139  28.527
  366    HB   THR  52           HB       THR  52  39.661  13.088  27.877
  367    HG1  THR  52           HG1      THR  52  37.944  13.530  29.546
  368   HG21  THR  52          HG21      THR  52  37.968  12.395  26.439
  369   HG22  THR  52          HG22      THR  52  37.031  13.112  27.749
  370   HG23  THR  52          HG23      THR  52  37.219  11.361  27.656
  371    H    VAL  53           HN       VAL  53  37.333   9.973  28.818
  372    HA   VAL  53           HA       VAL  53  37.463   9.709  31.672
  373    HB   VAL  53           HB       VAL  53  35.522   8.543  29.661
  374   HG11  VAL  53          HG11      VAL  53  35.051   7.248  31.502
  375   HG12  VAL  53          HG12      VAL  53  34.141   8.686  31.966
  376   HG13  VAL  53          HG13      VAL  53  35.752   8.410  32.629
  377   HG21  VAL  53          HG21      VAL  53  35.445  10.954  29.612
  378   HG22  VAL  53          HG22      VAL  53  35.512  11.046  31.372
  379   HG23  VAL  53          HG23      VAL  53  34.071  10.413  30.577
  380    H    PHE  54           HN       PHE  54  39.155   8.115  29.447
  381    HA   PHE  54           HA       PHE  54  38.765   5.411  30.500
  382    HB2  PHE  54           HB2      PHE  54  39.206   6.105  28.001
  383    HB3  PHE  54           HB1      PHE  54  40.892   6.126  28.517
  384    HD1  PHE  54           HD1      PHE  54  37.826   3.998  28.443
  385    HD2  PHE  54           HD2      PHE  54  42.105   4.114  28.801
  386    HE1  PHE  54           HE1      PHE  54  37.906   1.524  28.293
  387    HE2  PHE  54           HE2      PHE  54  42.185   1.640  28.651
  388    HZ   PHE  54           HZ       PHE  54  40.085   0.345  28.397
  389    H    ARG  55           HN       ARG  55  40.767   8.153  30.962
  390    HA   ARG  55           HA       ARG  55  42.915   6.583  32.197
  391    HB2  ARG  55           HB2      ARG  55  42.686   9.576  31.799
  392    HB3  ARG  55           HB1      ARG  55  44.119   8.699  32.335
  393    HG2  ARG  55           HG2      ARG  55  44.662   8.663  30.128
  394    HG3  ARG  55           HG1      ARG  55  43.486   7.352  30.032
  395    HD2  ARG  55           HD2      ARG  55  42.806   8.860  28.343
  396    HD3  ARG  55           HD1      ARG  55  41.723   9.199  29.690
  397    HE   ARG  55           HE       ARG  55  42.645  11.317  29.789
  398   HH11  ARG  55          HH21      ARG  55  44.805   9.125  28.206
  399   HH12  ARG  55          HH22      ARG  55  45.966  10.345  27.800
  400   HH21  ARG  55          HH11      ARG  55  44.163  12.922  29.260
  401   HH22  ARG  55          HH12      ARG  55  45.602  12.495  28.396
  402    H    LYS  56           HN       LYS  56  40.006   8.020  33.055
  403    HA   LYS  56           HA       LYS  56  40.864   8.655  35.791
  404    HB2  LYS  56           HB2      LYS  56  38.143   8.999  34.512
  405    HB3  LYS  56           HB1      LYS  56  38.674   9.659  36.060
  406    HG2  LYS  56           HG2      LYS  56  40.424  10.966  34.882
  407    HG3  LYS  56           HG1      LYS  56  39.833  10.342  33.342
  408    HD2  LYS  56           HD2      LYS  56  37.576  11.310  33.898
  409    HD3  LYS  56           HD1      LYS  56  38.311  12.073  35.308
  410    HE2  LYS  56           HE2      LYS  56  38.650  13.801  33.848
  411    HE3  LYS  56           HE1      LYS  56  40.065  12.851  33.396
  412    HZ1  LYS  56           HZ1      LYS  56  37.610  13.320  31.937
  413    HZ2  LYS  56           HZ2      LYS  56  38.165  11.715  31.900
  414    HZ3  LYS  56           HZ3      LYS  56  39.168  12.976  31.360
  415    H    LYS  57           HN       LYS  57  37.837   7.214  34.632
  416    HA   LYS  57           HA       LYS  57  36.679   5.346  35.298
  417    HB2  LYS  57           HB2      LYS  57  39.383   4.529  35.076
  418    HB3  LYS  57           HB1      LYS  57  38.760   3.822  36.565
  419    HG2  LYS  57           HG2      LYS  57  37.370   3.641  33.874
  420    HG3  LYS  57           HG1      LYS  57  38.382   2.372  34.561
  421    HD2  LYS  57           HD2      LYS  57  36.698   1.642  35.862
  422    HD3  LYS  57           HD1      LYS  57  36.427   3.261  36.506
  423    HE2  LYS  57           HE2      LYS  57  35.003   3.841  34.644
  424    HE3  LYS  57           HE1      LYS  57  35.413   2.346  33.802
  425    HZ1  LYS  57           HZ1      LYS  57  33.893   2.617  36.335
  426    HZ2  LYS  57           HZ2      LYS  57  34.436   1.132  35.713
  427    HZ3  LYS  57           HZ3      LYS  57  33.309   2.060  34.844
  428    H    GLY  58           HN       GLY  58  39.255   5.529  37.762
  429    HA2  GLY  58           HA2      GLY  58  39.071   6.225  39.993
  430    HA3  GLY  58           HA1      GLY  58  37.332   6.396  39.775
  431    H    HIS  59           HN       HIS  59  38.970   3.497  38.759
  432    HA   HIS  59           HA       HIS  59  38.208   2.067  41.201
  433    HB2  HIS  59           HB2      HIS  59  37.097   1.505  38.453
  434    HB3  HIS  59           HB1      HIS  59  37.139   0.277  39.719
  435    HD2  HIS  59           HD2      HIS  59  35.390   3.768  39.067
  436    HE1  HIS  59           HE1      HIS  59  33.435   1.853  42.282
  437    HE2  HIS  59           HE2      HIS  59  33.379   3.862  40.730
  438    H    HIS  60           HN       HIS  60  38.583   0.148  38.426
  439    HA   HIS  60           HA       HIS  60  41.438   0.010  38.342
  440    HB2  HIS  60           HB2      HIS  60  40.502  -1.206  40.559
  441    HB3  HIS  60           HB1      HIS  60  40.357  -2.536  39.409
  442    HD2  HIS  60           HD2      HIS  60  43.162  -1.713  37.687
  443    HE1  HIS  60           HE1      HIS  60  45.039  -2.460  41.394
  444    HE2  HIS  60           HE2      HIS  60  45.423  -2.208  38.896
  445    H    HIS  61           HN       HIS  61  39.041   0.119  36.603
  446    HA   HIS  61           HA       HIS  61  38.342  -0.738  34.590
  447    HB2  HIS  61           HB2      HIS  61  40.958  -0.752  34.386
  448    HB3  HIS  61           HB1      HIS  61  40.764  -2.501  34.496
  449    HD2  HIS  61           HD2      HIS  61  38.590   0.103  32.388
  450    HE1  HIS  61           HE1      HIS  61  39.900  -3.008  29.852
  451    HE2  HIS  61           HE2      HIS  61  38.514  -0.883  29.972
  452    H    HIS  62           HN       HIS  62  37.500  -2.036  37.017
  453    HA   HIS  62           HA       HIS  62  36.775  -4.639  35.875
  454    HB2  HIS  62           HB2      HIS  62  37.665  -5.924  37.530
  455    HB3  HIS  62           HB1      HIS  62  38.795  -4.577  37.676
  456    HD2  HIS  62           HD2      HIS  62  35.891  -6.215  39.699
  457    HE1  HIS  62           HE1      HIS  62  37.234  -2.865  41.890
  458    HE2  HIS  62           HE2      HIS  62  35.743  -4.920  41.961
  459    H    HIS  63           HN       HIS  63  34.851  -5.533  36.771
  460    HA   HIS  63           HA       HIS  63  33.367  -4.149  38.804
  461    HB2  HIS  63           HB2      HIS  63  33.162  -2.782  36.573
  462    HB3  HIS  63           HB1      HIS  63  32.043  -4.067  36.116
  463    HD2  HIS  63           HD2      HIS  63  31.379  -0.777  37.325
  464    HE1  HIS  63           HE1      HIS  63  29.053  -3.076  39.995
  465    HE2  HIS  63           HE2      HIS  63  29.451  -0.739  39.085
  466    H    HIS  64           HN       HIS  64  34.180  -6.783  38.574
  467    HA   HIS  64           HA       HIS  64  32.303  -8.532  37.404
  468    HB2  HIS  64           HB2      HIS  64  34.551  -9.225  38.192
  469    HB3  HIS  64           HB1      HIS  64  34.013  -9.004  39.857
  470    HD2  HIS  64           HD2      HIS  64  32.123 -10.934  36.919
  471    HE1  HIS  64           HE1      HIS  64  32.492 -13.488  40.261
  472    HE2  HIS  64           HE2      HIS  64  31.549 -13.280  37.912
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  30.761 -18.853  18.964
    2    H2   MET   1           HT2      MET   1  29.979 -19.769  17.765
    3    H3   MET   1           HT3      MET   1  29.908 -18.071  17.723
    4    HA   MET   1           HA       MET   1  32.420 -19.627  17.468
    5    HB2  MET   1           HB2      MET   1  30.456 -18.603  15.424
    6    HB3  MET   1           HB1      MET   1  32.168 -18.765  15.024
    7    HG2  MET   1           HG2      MET   1  32.125 -21.068  15.160
    8    HG3  MET   1           HG1      MET   1  30.831 -21.079  16.358
    9    HE1  MET   1           HE1      MET   1  31.064 -23.007  13.860
   10    HE2  MET   1           HE2      MET   1  29.376 -23.085  13.364
   11    HE3  MET   1           HE3      MET   1  29.783 -23.085  15.077
   12    H    GLU   2           HN       GLU   2  33.716 -18.229  18.585
   13    HA   GLU   2           HA       GLU   2  33.480 -15.349  18.122
   14    HB2  GLU   2           HB2      GLU   2  35.452 -16.790  19.904
   15    HB3  GLU   2           HB1      GLU   2  34.990 -15.088  19.962
   16    HG2  GLU   2           HG2      GLU   2  32.618 -15.863  20.429
   17    HG3  GLU   2           HG1      GLU   2  33.272 -17.486  20.636
   18    H    GLU   3           HN       GLU   3  34.176 -15.295  15.931
   19    HA   GLU   3           HA       GLU   3  36.539 -16.400  14.922
   20    HB2  GLU   3           HB2      GLU   3  35.053 -13.884  14.144
   21    HB3  GLU   3           HB1      GLU   3  36.395 -14.555  13.216
   22    HG2  GLU   3           HG2      GLU   3  35.133 -16.712  13.051
   23    HG3  GLU   3           HG1      GLU   3  33.766 -15.928  13.842
   24    H    GLY   4           HN       GLY   4  38.481 -15.127  14.214
   25    HA2  GLY   4           HA2      GLY   4  39.234 -13.016  16.129
   26    HA3  GLY   4           HA1      GLY   4  40.270 -14.429  15.951
   27    H    GLY   5           HN       GLY   5  38.817 -13.799  13.023
   28    HA2  GLY   5           HA2      GLY   5  39.686 -11.803  11.620
   29    HA3  GLY   5           HA1      GLY   5  41.258 -12.484  12.026
   30    H    ASP   6           HN       ASP   6  38.502 -12.706   9.991
   31    HA   ASP   6           HA       ASP   6  38.666 -15.324   9.027
   32    HB2  ASP   6           HB2      ASP   6  37.356 -12.888   8.281
   33    HB3  ASP   6           HB1      ASP   6  38.051 -13.626   6.840
   34    H    PHE   7           HN       PHE   7  40.715 -12.572   8.470
   35    HA   PHE   7           HA       PHE   7  42.457 -14.255   6.797
   36    HB2  PHE   7           HB2      PHE   7  42.620 -12.739   5.066
   37    HB3  PHE   7           HB1      PHE   7  40.937 -12.492   5.531
   38    HD1  PHE   7           HD1      PHE   7  40.326 -10.580   7.039
   39    HD2  PHE   7           HD2      PHE   7  44.260 -11.025   5.376
   40    HE1  PHE   7           HE1      PHE   7  40.817  -8.207   7.565
   41    HE2  PHE   7           HE2      PHE   7  44.751  -8.652   5.901
   42    HZ   PHE   7           HZ       PHE   7  43.029  -7.242   6.996
   43    H    ASP   8           HN       ASP   8  42.035 -11.453   8.880
   44    HA   ASP   8           HA       ASP   8  44.574 -10.421   9.053
   45    HB2  ASP   8           HB2      ASP   8  42.413  -9.774  10.333
   46    HB3  ASP   8           HB1      ASP   8  42.973 -10.922  11.548
   47    H    ASN   9           HN       ASN   9  46.165 -12.001   8.771
   48    HA   ASN   9           HA       ASN   9  46.749 -13.562  11.199
   49    HB2  ASN   9           HB2      ASN   9  46.210 -15.452  10.102
   50    HB3  ASN   9           HB1      ASN   9  46.111 -14.618   8.552
   51   HD21  ASN   9          HD21      ASN   9  47.870 -14.859   7.117
   52   HD22  ASN   9          HD22      ASN   9  49.309 -15.667   7.515
   53    H    TYR  10           HN       TYR  10  47.911 -12.295   8.098
   54    HA   TYR  10           HA       TYR  10  50.672 -12.702   8.590
   55    HB2  TYR  10           HB2      TYR  10  49.305 -10.650   6.831
   56    HB3  TYR  10           HB1      TYR  10  51.015 -11.079   6.766
   57    HD1  TYR  10           HD1      TYR  10  51.631 -13.528   6.308
   58    HD2  TYR  10           HD2      TYR  10  47.698 -11.929   5.664
   59    HE1  TYR  10           HE1      TYR  10  51.099 -15.438   4.819
   60    HE2  TYR  10           HE2      TYR  10  47.165 -13.839   4.174
   61    HH   TYR  10           HH       TYR  10  47.852 -15.963   3.594
   62    H    TYR  11           HN       TYR  11  48.571  -9.860   9.030
   63    HA   TYR  11           HA       TYR  11  48.789  -8.002  10.361
   64    HB2  TYR  11           HB2      TYR  11  49.790 -10.143  11.869
   65    HB3  TYR  11           HB1      TYR  11  50.996  -8.865  12.026
   66    HD1  TYR  11           HD1      TYR  11  50.129  -6.481  12.571
   67    HD2  TYR  11           HD2      TYR  11  47.803 -10.049  13.120
   68    HE1  TYR  11           HE1      TYR  11  48.646  -5.270  14.146
   69    HE2  TYR  11           HE2      TYR  11  46.318  -8.838  14.695
   70    HH   TYR  11           HH       TYR  11  46.465  -5.401  15.083
   71    H    GLY  12           HN       GLY  12  49.980  -6.109  10.415
   72    HA2  GLY  12           HA2      GLY  12  51.466  -4.599   9.483
   73    HA3  GLY  12           HA1      GLY  12  52.667  -5.674  10.195
   74    H    ALA  13           HN       ALA  13  50.426  -6.468   7.582
   75    HA   ALA  13           HA       ALA  13  52.680  -7.267   5.911
   76    HB1  ALA  13           HB1      ALA  13  50.786  -8.038   4.376
   77    HB2  ALA  13           HB2      ALA  13  49.691  -7.609   5.690
   78    HB3  ALA  13           HB3      ALA  13  50.917  -8.853   5.935
   79    H    ASP  14           HN       ASP  14  49.779  -6.124   4.412
   80    HA   ASP  14           HA       ASP  14  51.086  -4.486   2.560
   81    HB2  ASP  14           HB2      ASP  14  48.365  -5.169   3.234
   82    HB3  ASP  14           HB1      ASP  14  48.488  -3.450   2.867
   83    H    ASN  15           HN       ASN  15  50.151  -3.877   5.828
   84    HA   ASN  15           HA       ASN  15  49.794  -1.138   5.919
   85    HB2  ASN  15           HB2      ASN  15  51.405  -2.729   7.924
   86    HB3  ASN  15           HB1      ASN  15  50.514  -1.236   8.216
   87   HD21  ASN  15          HD21      ASN  15  48.046  -1.646   7.127
   88   HD22  ASN  15          HD22      ASN  15  47.299  -3.017   7.792
   89    H    GLN  16           HN       GLN  16  52.795  -2.970   5.641
   90    HA   GLN  16           HA       GLN  16  54.338  -0.465   5.587
   91    HB2  GLN  16           HB2      GLN  16  55.612  -3.163   5.398
   92    HB3  GLN  16           HB1      GLN  16  56.205  -1.694   6.174
   93    HG2  GLN  16           HG2      GLN  16  54.106  -2.044   7.739
   94    HG3  GLN  16           HG1      GLN  16  54.242  -3.716   7.197
   95   HE21  GLN  16          HE21      GLN  16  54.752  -2.912   9.931
   96   HE22  GLN  16          HE22      GLN  16  56.397  -3.188  10.248
   97    H    SER  17           HN       SER  17  52.658  -0.915   3.395
   98    HA   SER  17           HA       SER  17  54.643  -1.022   1.261
   99    HB2  SER  17           HB2      SER  17  53.558  -3.368   1.700
  100    HB3  SER  17           HB1      SER  17  52.164  -2.667   0.882
  101    HG   SER  17           HG       SER  17  53.358  -2.396  -0.928
  102    H    GLU  18           HN       GLU  18  52.845  -1.079  -0.878
  103    HA   GLU  18           HA       GLU  18  52.067   1.602  -1.077
  104    HB2  GLU  18           HB2      GLU  18  51.087  -0.822  -2.600
  105    HB3  GLU  18           HB1      GLU  18  50.746   0.847  -3.059
  106    HG2  GLU  18           HG2      GLU  18  52.812   1.138  -3.927
  107    HG3  GLU  18           HG1      GLU  18  53.587   0.389  -2.531
  108    H    CYS  19           HN       CYS  19  50.943   1.939   0.963
  109    HA   CYS  19           HA       CYS  19  48.224   0.818   1.080
  110    HB2  CYS  19           HB2      CYS  19  49.496   0.606   3.136
  111    HB3  CYS  19           HB1      CYS  19  49.856   2.332   3.131
  112    HG   CYS  19           HG       CYS  19  47.162   1.067   3.929
  113    H    GLU  20           HN       GLU  20  50.000   3.862   0.899
  114    HA   GLU  20           HA       GLU  20  47.605   5.175  -0.131
  115    HB2  GLU  20           HB2      GLU  20  49.090   6.185   2.307
  116    HB3  GLU  20           HB1      GLU  20  47.848   7.083   1.433
  117    HG2  GLU  20           HG2      GLU  20  46.315   5.077   1.836
  118    HG3  GLU  20           HG1      GLU  20  47.532   4.503   2.976
  119    H    TYR  21           HN       TYR  21  49.685   4.523  -1.673
  120    HA   TYR  21           HA       TYR  21  50.950   7.130  -2.198
  121    HB2  TYR  21           HB2      TYR  21  52.370   4.463  -2.057
  122    HB3  TYR  21           HB1      TYR  21  53.067   5.907  -2.790
  123    HD1  TYR  21           HD1      TYR  21  51.629   4.573   0.383
  124    HD2  TYR  21           HD2      TYR  21  54.062   7.595  -1.459
  125    HE1  TYR  21           HE1      TYR  21  52.327   5.375   2.623
  126    HE2  TYR  21           HE2      TYR  21  54.760   8.398   0.781
  127    HH   TYR  21           HH       TYR  21  53.675   6.748   3.744
  128    H    THR  22           HN       THR  22  48.859   5.014  -3.295
  129    HA   THR  22           HA       THR  22  49.084   5.785  -6.013
  130    HB   THR  22           HB       THR  22  50.931   4.211  -6.103
  131    HG1  THR  22           HG1      THR  22  48.479   3.450  -7.244
  132   HG21  THR  22          HG21      THR  22  50.675   1.885  -5.452
  133   HG22  THR  22          HG22      THR  22  48.975   2.145  -5.062
  134   HG23  THR  22          HG23      THR  22  50.231   2.907  -4.085
  135    H    ASP  23           HN       ASP  23  47.858   3.476  -3.653
  136    HA   ASP  23           HA       ASP  23  45.559   2.727  -5.206
  137    HB2  ASP  23           HB2      ASP  23  44.788   1.706  -3.059
  138    HB3  ASP  23           HB1      ASP  23  46.402   1.187  -3.544
  139    H    TRP  24           HN       TRP  24  46.141   5.641  -4.533
  140    HA   TRP  24           HA       TRP  24  43.402   6.280  -3.662
  141    HB2  TRP  24           HB2      TRP  24  44.203   8.058  -2.207
  142    HB3  TRP  24           HB1      TRP  24  44.918   6.526  -1.706
  143    HD1  TRP  24           HD1      TRP  24  47.474   6.055  -2.605
  144    HE1  TRP  24           HE1      TRP  24  49.405   7.724  -2.970
  145    HE3  TRP  24           HE3      TRP  24  44.836  10.422  -2.822
  146    HZ2  TRP  24           HZ2      TRP  24  49.781  10.539  -3.310
  147    HZ3  TRP  24           HZ3      TRP  24  46.004  12.580  -3.167
  148    HH2  TRP  24           HH2      TRP  24  48.471  12.644  -3.410
  149    H    LYS  25           HN       LYS  25  46.449   7.717  -4.846
  150    HA   LYS  25           HA       LYS  25  46.804   9.479  -6.302
  151    HB2  LYS  25           HB2      LYS  25  44.723   7.797  -7.704
  152    HB3  LYS  25           HB1      LYS  25  45.540   9.153  -8.481
  153    HG2  LYS  25           HG2      LYS  25  47.246   7.138  -7.089
  154    HG3  LYS  25           HG1      LYS  25  46.514   6.666  -8.624
  155    HD2  LYS  25           HD2      LYS  25  47.653   8.307  -9.828
  156    HD3  LYS  25           HD1      LYS  25  47.894   9.324  -8.406
  157    HE2  LYS  25           HE2      LYS  25  49.512   7.716  -7.502
  158    HE3  LYS  25           HE1      LYS  25  49.244   6.651  -8.881
  159    HZ1  LYS  25           HZ1      LYS  25  49.810   9.043 -10.028
  160    HZ2  LYS  25           HZ2      LYS  25  50.907   7.761  -9.828
  161    HZ3  LYS  25           HZ3      LYS  25  50.850   9.019  -8.687
  162    H    SER  26           HN       SER  26  43.536   9.282  -7.459
  163    HA   SER  26           HA       SER  26  42.380  11.261  -5.777
  164    HB2  SER  26           HB2      SER  26  42.385  13.162  -7.282
  165    HB3  SER  26           HB1      SER  26  44.050  12.674  -6.975
  166    HG   SER  26           HG       SER  26  43.905  12.875  -9.149
  167    H    SER  27           HN       SER  27  40.264  10.894  -5.895
  168    HA   SER  27           HA       SER  27  39.175   9.390  -8.135
  169    HB2  SER  27           HB2      SER  27  38.624   9.027  -5.641
  170    HB3  SER  27           HB1      SER  27  37.605  10.456  -5.796
  171    HG   SER  27           HG       SER  27  37.149   8.885  -7.882
  172    H    GLY  28           HN       GLY  28  40.040  11.906  -8.941
  173    HA2  GLY  28           HA2      GLY  28  38.979  13.277 -10.598
  174    HA3  GLY  28           HA1      GLY  28  37.472  13.143  -9.694
  175    H    ALA  29           HN       ALA  29  40.187  13.626  -7.715
  176    HA   ALA  29           HA       ALA  29  41.091  15.482  -6.666
  177    HB1  ALA  29           HB1      ALA  29  40.579  16.515  -9.084
  178    HB2  ALA  29           HB2      ALA  29  41.091  17.513  -7.724
  179    HB3  ALA  29           HB3      ALA  29  39.383  17.413  -8.150
  180    H    LEU  30           HN       LEU  30  38.642  14.050  -5.916
  181    HA   LEU  30           HA       LEU  30  37.086  16.168  -4.589
  182    HB2  LEU  30           HB2      LEU  30  36.548  13.328  -5.357
  183    HB3  LEU  30           HB1      LEU  30  35.689  13.992  -3.971
  184    HG   LEU  30           HG       LEU  30  34.471  14.256  -6.165
  185   HD11  LEU  30          HD11      LEU  30  33.482  16.055  -5.242
  186   HD12  LEU  30          HD12      LEU  30  34.894  17.060  -5.566
  187   HD13  LEU  30          HD13      LEU  30  34.804  16.120  -4.078
  188   HD21  LEU  30          HD21      LEU  30  35.316  15.591  -7.889
  189   HD22  LEU  30          HD22      LEU  30  36.768  14.764  -7.327
  190   HD23  LEU  30          HD23      LEU  30  36.448  16.425  -6.825
  191    H    ILE  31           HN       ILE  31  39.832  14.947  -3.875
  192    HA   ILE  31           HA       ILE  31  39.276  13.785  -1.261
  193    HB   ILE  31           HB       ILE  31  42.061  14.472  -1.954
  194   HG12  ILE  31          HG12      ILE  31  41.280  13.921  -4.195
  195   HG13  ILE  31          HG11      ILE  31  42.203  12.558  -3.570
  196   HG21  ILE  31          HG21      ILE  31  41.387  13.077  -0.016
  197   HG22  ILE  31          HG22      ILE  31  42.423  12.194  -1.137
  198   HG23  ILE  31          HG23      ILE  31  40.684  11.902  -1.126
  199   HD11  ILE  31          HD11      ILE  31  39.616  12.008  -2.718
  200   HD12  ILE  31          HD12      ILE  31  40.413  11.289  -4.114
  201   HD13  ILE  31          HD13      ILE  31  39.377  12.699  -4.321
  202    HA   PRO  32           HA       PRO  32  41.565  17.983  -0.183
  203    HB2  PRO  32           HB2      PRO  32  40.315  19.720  -2.235
  204    HB3  PRO  32           HB1      PRO  32  41.990  19.684  -1.656
  205    HG2  PRO  32           HG2      PRO  32  41.306  18.767  -4.071
  206    HG3  PRO  32           HG1      PRO  32  42.602  18.029  -3.114
  207    HD2  PRO  32           HD2      PRO  32  39.812  17.047  -3.583
  208    HD3  PRO  32           HD1      PRO  32  41.321  16.123  -3.418
  209    H    ALA  33           HN       ALA  33  38.491  16.953  -0.718
  210    HA   ALA  33           HA       ALA  33  37.347  18.998   1.084
  211    HB1  ALA  33           HB1      ALA  33  36.329  19.504  -0.984
  212    HB2  ALA  33           HB2      ALA  33  35.147  18.494  -0.150
  213    HB3  ALA  33           HB3      ALA  33  36.162  17.802  -1.415
  214    H    ILE  34           HN       ILE  34  36.571  15.805  -0.324
  215    HA   ILE  34           HA       ILE  34  34.908  14.835   1.637
  216    HB   ILE  34           HB       ILE  34  36.904  13.487  -0.156
  217   HG12  ILE  34          HG12      ILE  34  33.898  13.189   0.073
  218   HG13  ILE  34          HG11      ILE  34  34.660  14.421  -0.934
  219   HG21  ILE  34          HG21      ILE  34  35.682  11.338   0.673
  220   HG22  ILE  34          HG22      ILE  34  35.319  12.294   2.111
  221   HG23  ILE  34          HG23      ILE  34  36.995  11.990   1.655
  222   HD11  ILE  34          HD11      ILE  34  34.184  12.487  -2.322
  223   HD12  ILE  34          HD12      ILE  34  34.995  11.419  -1.177
  224   HD13  ILE  34          HD13      ILE  34  35.930  12.596  -2.098
  225    H    TYR  35           HN       TYR  35  38.449  14.370   1.521
  226    HA   TYR  35           HA       TYR  35  38.581  13.228   4.134
  227    HB2  TYR  35           HB2      TYR  35  40.525  12.609   3.187
  228    HB3  TYR  35           HB1      TYR  35  40.432  13.895   1.982
  229    HD1  TYR  35           HD1      TYR  35  41.299  16.160   2.485
  230    HD2  TYR  35           HD2      TYR  35  41.739  12.909   5.257
  231    HE1  TYR  35           HE1      TYR  35  43.017  17.450   3.724
  232    HE2  TYR  35           HE2      TYR  35  43.456  14.198   6.497
  233    HH   TYR  35           HH       TYR  35  44.860  17.072   5.238
  234    H    MET  36           HN       MET  36  38.576  16.466   2.897
  235    HA   MET  36           HA       MET  36  39.783  17.706   5.187
  236    HB2  MET  36           HB2      MET  36  39.433  18.591   2.721
  237    HB3  MET  36           HB1      MET  36  37.910  19.185   3.386
  238    HG2  MET  36           HG2      MET  36  39.195  20.286   5.227
  239    HG3  MET  36           HG1      MET  36  40.690  19.783   4.438
  240    HE1  MET  36           HE1      MET  36  37.430  21.513   4.269
  241    HE2  MET  36           HE2      MET  36  37.657  22.941   3.261
  242    HE3  MET  36           HE3      MET  36  38.451  22.844   4.831
  243    H    LEU  37           HN       LEU  37  36.564  16.710   4.296
  244    HA   LEU  37           HA       LEU  37  35.232  18.279   6.318
  245    HB2  LEU  37           HB2      LEU  37  34.304  15.968   4.598
  246    HB3  LEU  37           HB1      LEU  37  33.259  16.861   5.705
  247    HG   LEU  37           HG       LEU  37  34.884  18.445   3.765
  248   HD11  LEU  37          HD11      LEU  37  32.642  16.582   3.055
  249   HD12  LEU  37          HD12      LEU  37  34.094  16.982   2.137
  250   HD13  LEU  37          HD13      LEU  37  32.761  18.132   2.224
  251   HD21  LEU  37          HD21      LEU  37  33.157  20.005   4.031
  252   HD22  LEU  37          HD22      LEU  37  33.196  19.234   5.616
  253   HD23  LEU  37          HD23      LEU  37  31.970  18.767   4.439
  254    H    VAL  38           HN       VAL  38  36.771  15.180   6.135
  255    HA   VAL  38           HA       VAL  38  35.488  13.807   8.211
  256    HB   VAL  38           HB       VAL  38  38.352  13.717   7.250
  257   HG11  VAL  38          HG11      VAL  38  38.056  11.347   8.433
  258   HG12  VAL  38          HG12      VAL  38  36.928  12.257   9.438
  259   HG13  VAL  38          HG13      VAL  38  38.617  12.753   9.337
  260   HG21  VAL  38          HG21      VAL  38  35.902  11.989   6.784
  261   HG22  VAL  38          HG22      VAL  38  37.527  11.567   6.244
  262   HG23  VAL  38          HG23      VAL  38  36.724  12.996   5.592
  263    H    PHE  39           HN       PHE  39  37.842  16.387   8.274
  264    HA   PHE  39           HA       PHE  39  38.639  16.082  10.996
  265    HB2  PHE  39           HB2      PHE  39  39.956  17.360   9.335
  266    HB3  PHE  39           HB1      PHE  39  38.670  18.565   9.262
  267    HD1  PHE  39           HD1      PHE  39  38.082  19.889  11.311
  268    HD2  PHE  39           HD2      PHE  39  41.511  17.307  11.153
  269    HE1  PHE  39           HE1      PHE  39  39.026  21.020  13.306
  270    HE2  PHE  39           HE2      PHE  39  42.456  18.439  13.148
  271    HZ   PHE  39           HZ       PHE  39  41.212  20.295  14.224
  272    H    LEU  40           HN       LEU  40  35.865  17.431   9.442
  273    HA   LEU  40           HA       LEU  40  34.831  18.270  12.070
  274    HB2  LEU  40           HB2      LEU  40  33.802  20.261  11.016
  275    HB3  LEU  40           HB1      LEU  40  35.563  20.313  10.946
  276    HG   LEU  40           HG       LEU  40  34.652  18.919   8.632
  277   HD11  LEU  40          HD11      LEU  40  33.293  21.596   9.077
  278   HD12  LEU  40          HD12      LEU  40  32.479  20.032   9.008
  279   HD13  LEU  40          HD13      LEU  40  33.278  20.674   7.572
  280   HD21  LEU  40          HD21      LEU  40  36.732  20.200   8.793
  281   HD22  LEU  40          HD22      LEU  40  35.821  21.689   9.045
  282   HD23  LEU  40          HD23      LEU  40  35.737  20.857   7.493
  283    H    LEU  41           HN       LEU  41  34.450  15.915  10.276
  284    HA   LEU  41           HA       LEU  41  31.630  15.676  10.542
  285    HB2  LEU  41           HB2      LEU  41  31.853  17.180   8.496
  286    HB3  LEU  41           HB1      LEU  41  32.574  15.794   7.677
  287    HG   LEU  41           HG       LEU  41  30.411  14.571   8.668
  288   HD11  LEU  41          HD11      LEU  41  29.713  16.775   9.749
  289   HD12  LEU  41          HD12      LEU  41  28.489  15.994   8.748
  290   HD13  LEU  41          HD13      LEU  41  29.397  17.369   8.118
  291   HD21  LEU  41          HD21      LEU  41  29.281  15.133   6.472
  292   HD22  LEU  41          HD22      LEU  41  30.949  14.585   6.313
  293   HD23  LEU  41          HD23      LEU  41  30.570  16.302   6.184
  294    H    GLY  42           HN       GLY  42  33.557  14.083  11.513
  295    HA2  GLY  42           HA2      GLY  42  32.883  11.519  10.748
  296    HA3  GLY  42           HA1      GLY  42  34.299  11.926   9.783
  297    H    THR  43           HN       THR  43  35.226  13.728  12.028
  298    HA   THR  43           HA       THR  43  36.161  11.638  13.902
  299    HB   THR  43           HB       THR  43  37.701  13.725  12.396
  300    HG1  THR  43           HG1      THR  43  37.703  11.550  11.729
  301   HG21  THR  43          HG21      THR  43  38.248  12.685  15.170
  302   HG22  THR  43          HG22      THR  43  38.356  14.341  14.571
  303   HG23  THR  43          HG23      THR  43  39.571  13.152  14.102
  304    H    THR  44           HN       THR  44  35.388  15.032  13.358
  305    HA   THR  44           HA       THR  44  35.900  16.043  15.916
  306    HB   THR  44           HB       THR  44  34.008  16.815  13.716
  307    HG1  THR  44           HG1      THR  44  36.489  17.346  14.413
  308   HG21  THR  44          HG21      THR  44  32.685  17.468  15.544
  309   HG22  THR  44          HG22      THR  44  33.642  18.913  15.210
  310   HG23  THR  44          HG23      THR  44  34.089  17.847  16.542
  311    H    GLY  45           HN       GLY  45  33.238  14.131  14.692
  312    HA2  GLY  45           HA2      GLY  45  31.192  14.521  16.439
  313    HA3  GLY  45           HA1      GLY  45  31.652  12.918  15.870
  314    H    ASN  46           HN       ASN  46  33.725  12.075  17.062
  315    HA   ASN  46           HA       ASN  46  33.891  12.877  19.850
  316    HB2  ASN  46           HB2      ASN  46  31.931  11.146  19.418
  317    HB3  ASN  46           HB1      ASN  46  33.263   9.991  19.410
  318   HD21  ASN  46          HD21      ASN  46  32.678  12.960  21.383
  319   HD22  ASN  46          HD22      ASN  46  32.853  12.170  22.876
  320    H    GLY  47           HN       GLY  47  36.061  13.163  19.774
  321    HA2  GLY  47           HA2      GLY  47  37.864  11.144  20.146
  322    HA3  GLY  47           HA1      GLY  47  37.826  11.350  18.398
  323    H    LEU  48           HN       LEU  48  37.356  13.945  20.729
  324    HA   LEU  48           HA       LEU  48  39.802  15.234  19.697
  325    HB2  LEU  48           HB2      LEU  48  37.478  16.514  21.150
  326    HB3  LEU  48           HB1      LEU  48  38.803  17.341  20.330
  327    HG   LEU  48           HG       LEU  48  36.761  15.537  18.996
  328   HD11  LEU  48          HD11      LEU  48  37.140  18.546  18.948
  329   HD12  LEU  48          HD12      LEU  48  35.791  17.680  19.681
  330   HD13  LEU  48          HD13      LEU  48  36.007  17.657  17.931
  331   HD21  LEU  48          HD21      LEU  48  37.893  16.760  16.947
  332   HD22  LEU  48          HD22      LEU  48  38.657  15.334  17.651
  333   HD23  LEU  48          HD23      LEU  48  39.246  16.944  18.064
  334    H    VAL  49           HN       VAL  49  37.906  15.224  22.726
  335    HA   VAL  49           HA       VAL  49  39.876  16.124  24.442
  336    HB   VAL  49           HB       VAL  49  37.568  15.838  25.163
  337   HG11  VAL  49          HG11      VAL  49  36.436  13.937  24.748
  338   HG12  VAL  49          HG12      VAL  49  37.587  13.007  25.708
  339   HG13  VAL  49          HG13      VAL  49  37.885  13.278  23.991
  340   HG21  VAL  49          HG21      VAL  49  38.101  15.332  27.344
  341   HG22  VAL  49          HG22      VAL  49  39.740  15.432  26.701
  342   HG23  VAL  49          HG23      VAL  49  38.966  13.861  26.902
  343    H    LEU  50           HN       LEU  50  39.896  13.281  22.636
  344    HA   LEU  50           HA       LEU  50  41.734  11.916  24.489
  345    HB2  LEU  50           HB2      LEU  50  40.407  10.889  21.969
  346    HB3  LEU  50           HB1      LEU  50  41.392   9.941  23.085
  347    HG   LEU  50           HG       LEU  50  39.298  11.370  24.502
  348   HD11  LEU  50          HD11      LEU  50  37.985  11.201  22.490
  349   HD12  LEU  50          HD12      LEU  50  37.436   9.924  23.574
  350   HD13  LEU  50          HD13      LEU  50  38.504   9.538  22.224
  351   HD21  LEU  50          HD21      LEU  50  38.850   9.088  25.346
  352   HD22  LEU  50          HD22      LEU  50  40.577   9.444  25.372
  353   HD23  LEU  50          HD23      LEU  50  39.907   8.423  24.101
  354    H    TRP  51           HN       TRP  51  41.595  13.669  21.523
  355    HA   TRP  51           HA       TRP  51  44.155  12.687  20.551
  356    HB2  TRP  51           HB2      TRP  51  43.087  13.270  18.652
  357    HB3  TRP  51           HB1      TRP  51  41.952  14.312  19.507
  358    HD1  TRP  51           HD1      TRP  51  45.479  14.332  18.000
  359    HE1  TRP  51           HE1      TRP  51  46.166  16.776  17.553
  360    HE3  TRP  51           HE3      TRP  51  41.528  16.764  20.133
  361    HZ2  TRP  51           HZ2      TRP  51  45.172  19.414  18.037
  362    HZ3  TRP  51           HZ3      TRP  51  41.423  19.239  20.127
  363    HH2  TRP  51           HH2      TRP  51  43.239  20.566  19.082
  364    H    THR  52           HN       THR  52  42.851  15.850  21.580
  365    HA   THR  52           HA       THR  52  45.129  17.372  21.533
  366    HB   THR  52           HB       THR  52  42.935  18.272  22.155
  367    HG1  THR  52           HG1      THR  52  45.227  18.655  23.625
  368   HG21  THR  52          HG21      THR  52  43.097  17.477  24.972
  369   HG22  THR  52          HG22      THR  52  42.828  16.118  23.880
  370   HG23  THR  52          HG23      THR  52  41.709  17.481  23.883
  371    H    VAL  53           HN       VAL  53  44.243  14.899  23.860
  372    HA   VAL  53           HA       VAL  53  46.377  15.521  25.696
  373    HB   VAL  53           HB       VAL  53  44.423  13.243  25.436
  374   HG11  VAL  53          HG11      VAL  53  45.459  12.597  27.735
  375   HG12  VAL  53          HG12      VAL  53  46.868  13.497  27.178
  376   HG13  VAL  53          HG13      VAL  53  46.301  12.096  26.270
  377   HG21  VAL  53          HG21      VAL  53  44.164  15.725  26.525
  378   HG22  VAL  53          HG22      VAL  53  44.772  14.828  27.918
  379   HG23  VAL  53          HG23      VAL  53  43.290  14.310  27.113
  380    H    PHE  54           HN       PHE  54  45.902  13.385  22.958
  381    HA   PHE  54           HA       PHE  54  48.083  11.652  23.355
  382    HB2  PHE  54           HB2      PHE  54  46.107  11.755  21.537
  383    HB3  PHE  54           HB1      PHE  54  47.411  12.452  20.575
  384    HD1  PHE  54           HD1      PHE  54  46.618   9.547  22.797
  385    HD2  PHE  54           HD2      PHE  54  49.026  11.065  19.579
  386    HE1  PHE  54           HE1      PHE  54  47.573   7.286  22.445
  387    HE2  PHE  54           HE2      PHE  54  49.980   8.803  19.227
  388    HZ   PHE  54           HZ       PHE  54  49.253   6.914  20.660
  389    H    ARG  55           HN       ARG  55  47.879  14.912  22.101
  390    HA   ARG  55           HA       ARG  55  50.617  14.889  21.120
  391    HB2  ARG  55           HB2      ARG  55  48.379  16.882  21.163
  392    HB3  ARG  55           HB1      ARG  55  50.031  17.438  20.895
  393    HG2  ARG  55           HG2      ARG  55  48.873  16.935  18.758
  394    HG3  ARG  55           HG1      ARG  55  50.271  15.889  19.007
  395    HD2  ARG  55           HD2      ARG  55  48.896  14.052  19.675
  396    HD3  ARG  55           HD1      ARG  55  47.473  15.081  19.819
  397    HE   ARG  55           HE       ARG  55  47.180  14.917  17.515
  398   HH11  ARG  55          HH21      ARG  55  50.317  13.814  18.472
  399   HH12  ARG  55          HH22      ARG  55  50.718  13.170  16.915
  400   HH21  ARG  55          HH11      ARG  55  47.699  14.077  15.469
  401   HH22  ARG  55          HH12      ARG  55  49.236  13.318  15.215
  402    H    LYS  56           HN       LYS  56  48.790  16.132  23.868
  403    HA   LYS  56           HA       LYS  56  50.660  17.835  25.013
  404    HB2  LYS  56           HB2      LYS  56  48.213  17.055  25.745
  405    HB3  LYS  56           HB1      LYS  56  49.146  16.021  26.828
  406    HG2  LYS  56           HG2      LYS  56  48.933  17.951  28.117
  407    HG3  LYS  56           HG1      LYS  56  50.481  18.237  27.320
  408    HD2  LYS  56           HD2      LYS  56  49.464  20.239  26.815
  409    HD3  LYS  56           HD1      LYS  56  48.870  19.291  25.451
  410    HE2  LYS  56           HE2      LYS  56  46.951  20.367  26.388
  411    HE3  LYS  56           HE1      LYS  56  46.869  18.685  26.912
  412    HZ1  LYS  56           HZ1      LYS  56  47.165  21.059  28.472
  413    HZ2  LYS  56           HZ2      LYS  56  48.376  19.920  28.821
  414    HZ3  LYS  56           HZ3      LYS  56  46.738  19.493  28.963
  415    H    LYS  57           HN       LYS  57  51.019  14.566  24.359
  416    HA   LYS  57           HA       LYS  57  52.450  13.568  26.543
  417    HB2  LYS  57           HB2      LYS  57  51.676  12.489  24.231
  418    HB3  LYS  57           HB1      LYS  57  53.350  12.836  23.799
  419    HG2  LYS  57           HG2      LYS  57  54.088  11.649  25.870
  420    HG3  LYS  57           HG1      LYS  57  52.406  11.216  26.181
  421    HD2  LYS  57           HD2      LYS  57  52.280   9.908  24.175
  422    HD3  LYS  57           HD1      LYS  57  53.828  10.529  23.600
  423    HE2  LYS  57           HE2      LYS  57  54.994   9.419  25.444
  424    HE3  LYS  57           HE1      LYS  57  53.457   8.854  26.102
  425    HZ1  LYS  57           HZ1      LYS  57  53.329   7.994  23.563
  426    HZ2  LYS  57           HZ2      LYS  57  53.870   7.051  24.870
  427    HZ3  LYS  57           HZ3      LYS  57  54.990   7.848  23.871
  428    H    GLY  58           HN       GLY  58  53.535  15.491  23.775
  429    HA2  GLY  58           HA2      GLY  58  55.298  17.100  23.977
  430    HA3  GLY  58           HA1      GLY  58  56.000  16.122  25.262
  431    H    HIS  59           HN       HIS  59  57.567  14.696  24.759
  432    HA   HIS  59           HA       HIS  59  58.913  14.741  22.336
  433    HB2  HIS  59           HB2      HIS  59  59.758  12.405  23.147
  434    HB3  HIS  59           HB1      HIS  59  60.143  13.840  24.098
  435    HD2  HIS  59           HD2      HIS  59  56.517  12.425  24.425
  436    HE1  HIS  59           HE1      HIS  59  58.603  11.429  27.957
  437    HE2  HIS  59           HE2      HIS  59  56.323  11.451  26.839
  438    H    HIS  60           HN       HIS  60  58.022  11.512  23.119
  439    HA   HIS  60           HA       HIS  60  55.866  11.151  21.317
  440    HB2  HIS  60           HB2      HIS  60  57.447  11.648  19.565
  441    HB3  HIS  60           HB1      HIS  60  58.626  10.528  20.248
  442    HD2  HIS  60           HD2      HIS  60  55.206  10.372  18.281
  443    HE1  HIS  60           HE1      HIS  60  56.898   6.504  18.338
  444    HE2  HIS  60           HE2      HIS  60  55.011   7.922  17.398
  445    H    HIS  61           HN       HIS  61  58.820   9.209  21.734
  446    HA   HIS  61           HA       HIS  61  57.660   7.509  23.732
  447    HB2  HIS  61           HB2      HIS  61  56.796   6.931  21.193
  448    HB3  HIS  61           HB1      HIS  61  58.201   5.875  21.351
  449    HD2  HIS  61           HD2      HIS  61  57.953   4.809  24.374
  450    HE1  HIS  61           HE1      HIS  61  53.915   3.941  23.503
  451    HE2  HIS  61           HE2      HIS  61  55.828   3.480  25.108
  452    H    HIS  62           HN       HIS  62  59.201   6.282  24.735
  453    HA   HIS  62           HA       HIS  62  61.813   5.935  23.450
  454    HB2  HIS  62           HB2      HIS  62  61.732   8.118  24.814
  455    HB3  HIS  62           HB1      HIS  62  61.663   7.075  26.235
  456    HD2  HIS  62           HD2      HIS  62  64.439   8.764  25.837
  457    HE1  HIS  62           HE1      HIS  62  66.074   5.131  24.439
  458    HE2  HIS  62           HE2      HIS  62  66.634   7.442  25.331
  459    H    HIS  63           HN       HIS  63  61.068   3.716  23.444
  460    HA   HIS  63           HA       HIS  63  62.024   2.234  25.678
  461    HB2  HIS  63           HB2      HIS  63  59.660   3.086  26.375
  462    HB3  HIS  63           HB1      HIS  63  59.075   1.852  25.257
  463    HD2  HIS  63           HD2      HIS  63  58.757   1.444  28.583
  464    HE1  HIS  63           HE1      HIS  63  61.699  -1.531  28.027
  465    HE2  HIS  63           HE2      HIS  63  59.914  -0.660  29.608
  466    H    HIS  64           HN       HIS  64  62.929   1.965  23.259
  467    HA   HIS  64           HA       HIS  64  61.694   0.465  21.320
  468    HB2  HIS  64           HB2      HIS  64  64.490   0.793  22.231
  469    HB3  HIS  64           HB1      HIS  64  64.165  -0.634  21.246
  470    HD2  HIS  64           HD2      HIS  64  62.581   0.194  18.767
  471    HE1  HIS  64           HE1      HIS  64  64.621   3.887  18.632
  472    HE2  HIS  64           HE2      HIS  64  63.159   2.284  17.313
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  57.793 -14.598  -8.168
    2    H2   MET   1           HT2      MET   1  59.422 -14.625  -8.648
    3    H3   MET   1           HT3      MET   1  59.007 -14.900  -7.024
    4    HA   MET   1           HA       MET   1  59.569 -16.877  -8.627
    5    HB2  MET   1           HB2      MET   1  57.150 -17.125  -6.841
    6    HB3  MET   1           HB1      MET   1  58.452 -18.289  -7.097
    7    HG2  MET   1           HG2      MET   1  59.990 -16.422  -6.121
    8    HG3  MET   1           HG1      MET   1  58.489 -15.745  -5.488
    9    HE1  MET   1           HE1      MET   1  59.623 -17.125  -2.262
   10    HE2  MET   1           HE2      MET   1  58.159 -16.321  -2.821
   11    HE3  MET   1           HE3      MET   1  59.727 -15.805  -3.435
   12    H    GLU   2           HN       GLU   2  58.840 -17.898 -10.397
   13    HA   GLU   2           HA       GLU   2  56.343 -16.986 -11.607
   14    HB2  GLU   2           HB2      GLU   2  58.210 -19.021 -12.799
   15    HB3  GLU   2           HB1      GLU   2  57.145 -17.880 -13.621
   16    HG2  GLU   2           HG2      GLU   2  59.121 -16.735 -13.879
   17    HG3  GLU   2           HG1      GLU   2  58.672 -16.120 -12.289
   18    H    GLU   3           HN       GLU   3  55.953 -18.485  -9.276
   19    HA   GLU   3           HA       GLU   3  55.595 -21.223  -9.540
   20    HB2  GLU   3           HB2      GLU   3  54.478 -19.094  -7.843
   21    HB3  GLU   3           HB1      GLU   3  53.433 -20.503  -8.024
   22    HG2  GLU   3           HG2      GLU   3  56.367 -20.711  -7.316
   23    HG3  GLU   3           HG1      GLU   3  55.092 -20.629  -6.103
   24    H    GLY   4           HN       GLY   4  53.999 -22.542 -10.338
   25    HA2  GLY   4           HA2      GLY   4  52.180 -23.204 -11.590
   26    HA3  GLY   4           HA1      GLY   4  51.487 -21.609 -11.312
   27    H    GLY   5           HN       GLY   5  54.554 -22.463 -12.882
   28    HA2  GLY   5           HA2      GLY   5  53.611 -22.059 -15.548
   29    HA3  GLY   5           HA1      GLY   5  54.431 -20.623 -14.941
   30    H    ASP   6           HN       ASP   6  54.855 -24.138 -15.305
   31    HA   ASP   6           HA       ASP   6  57.501 -24.482 -14.768
   32    HB2  ASP   6           HB2      ASP   6  55.535 -25.823 -16.388
   33    HB3  ASP   6           HB1      ASP   6  57.103 -25.863 -17.194
   34    H    PHE   7           HN       PHE   7  56.126 -22.674 -17.394
   35    HA   PHE   7           HA       PHE   7  58.833 -21.865 -18.211
   36    HB2  PHE   7           HB2      PHE   7  58.671 -22.679 -20.298
   37    HB3  PHE   7           HB1      PHE   7  57.288 -23.615 -19.734
   38    HD1  PHE   7           HD1      PHE   7  58.322 -20.440 -21.351
   39    HD2  PHE   7           HD2      PHE   7  55.040 -23.017 -20.331
   40    HE1  PHE   7           HE1      PHE   7  56.826 -19.114 -22.818
   41    HE2  PHE   7           HE2      PHE   7  53.544 -21.691 -21.799
   42    HZ   PHE   7           HZ       PHE   7  54.437 -19.740 -23.041
   43    H    ASP   8           HN       ASP   8  55.343 -21.292 -18.359
   44    HA   ASP   8           HA       ASP   8  55.223 -18.809 -19.538
   45    HB2  ASP   8           HB2      ASP   8  53.229 -20.028 -18.828
   46    HB3  ASP   8           HB1      ASP   8  53.657 -19.778 -17.136
   47    H    ASN   9           HN       ASN   9  54.858 -16.669 -18.466
   48    HA   ASN   9           HA       ASN   9  56.107 -16.194 -15.910
   49    HB2  ASN   9           HB2      ASN   9  58.177 -16.280 -16.994
   50    HB3  ASN   9           HB1      ASN   9  57.542 -15.559 -18.473
   51   HD21  ASN   9          HD21      ASN   9  56.951 -13.191 -18.343
   52   HD22  ASN   9          HD22      ASN   9  57.776 -12.204 -17.235
   53    H    TYR  10           HN       TYR  10  54.932 -14.861 -18.970
   54    HA   TYR  10           HA       TYR  10  54.522 -12.217 -18.292
   55    HB2  TYR  10           HB2      TYR  10  52.482 -13.809 -19.840
   56    HB3  TYR  10           HB1      TYR  10  52.940 -12.118 -20.049
   57    HD1  TYR  10           HD2      TYR  10  55.377 -11.618 -20.744
   58    HD2  TYR  10           HD1      TYR  10  53.562 -15.497 -21.077
   59    HE1  TYR  10           HE2      TYR  10  57.111 -12.287 -22.385
   60    HE2  TYR  10           HE1      TYR  10  55.296 -16.167 -22.719
   61    HH   TYR  10           HH       TYR  10  58.002 -14.013 -23.514
   62    H    TYR  11           HN       TYR  11  52.354 -14.975 -17.692
   63    HA   TYR  11           HA       TYR  11  50.695 -15.279 -16.131
   64    HB2  TYR  11           HB2      TYR  11  52.588 -13.799 -14.812
   65    HB3  TYR  11           HB1      TYR  11  51.157 -12.780 -14.654
   66    HD1  TYR  11           HD2      TYR  11  52.271 -16.339 -14.296
   67    HD2  TYR  11           HD1      TYR  11  49.551 -13.271 -13.015
   68    HE1  TYR  11           HE2      TYR  11  51.385 -17.855 -12.545
   69    HE2  TYR  11           HE1      TYR  11  48.665 -14.786 -11.264
   70    HH   TYR  11           HH       TYR  11  50.215 -17.739 -10.436
   71    H    GLY  12           HN       GLY  12  49.153 -13.301 -14.785
   72    HA2  GLY  12           HA2      GLY  12  47.061 -12.811 -16.443
   73    HA3  GLY  12           HA1      GLY  12  47.473 -11.732 -15.113
   74    H    ALA  13           HN       ALA  13  50.070 -11.018 -16.303
   75    HA   ALA  13           HA       ALA  13  50.945  -9.371 -17.642
   76    HB1  ALA  13           HB1      ALA  13  48.998  -9.559 -19.806
   77    HB2  ALA  13           HB2      ALA  13  49.629 -11.136 -19.330
   78    HB3  ALA  13           HB3      ALA  13  50.737  -9.857 -19.829
   79    H    ASP  14           HN       ASP  14  49.825  -7.560 -19.379
   80    HA   ASP  14           HA       ASP  14  48.773  -5.606 -17.678
   81    HB2  ASP  14           HB2      ASP  14  49.639  -4.660 -19.582
   82    HB3  ASP  14           HB1      ASP  14  49.014  -5.933 -20.629
   83    H    ASN  15           HN       ASN  15  47.192  -8.087 -19.576
   84    HA   ASN  15           HA       ASN  15  44.607  -7.221 -19.801
   85    HB2  ASN  15           HB2      ASN  15  45.799  -9.589 -20.219
   86    HB3  ASN  15           HB1      ASN  15  44.937  -9.972 -18.729
   87   HD21  ASN  15          HD21      ASN  15  42.650  -8.217 -19.210
   88   HD22  ASN  15          HD22      ASN  15  41.769  -8.890 -20.496
   89    H    GLN  16           HN       GLN  16  45.990  -8.842 -16.938
   90    HA   GLN  16           HA       GLN  16  43.644  -8.038 -15.370
   91    HB2  GLN  16           HB2      GLN  16  45.981  -9.850 -14.721
   92    HB3  GLN  16           HB1      GLN  16  44.657  -9.491 -13.612
   93    HG2  GLN  16           HG2      GLN  16  43.902 -10.403 -16.341
   94    HG3  GLN  16           HG1      GLN  16  44.612 -11.611 -15.271
   95   HE21  GLN  16          HE21      GLN  16  42.646 -12.770 -14.834
   96   HE22  GLN  16          HE22      GLN  16  41.349 -12.077 -13.986
   97    H    SER  17           HN       SER  17  45.133  -5.869 -16.131
   98    HA   SER  17           HA       SER  17  46.229  -4.988 -13.547
   99    HB2  SER  17           HB2      SER  17  48.057  -5.679 -15.232
  100    HB3  SER  17           HB1      SER  17  47.584  -4.240 -16.130
  101    HG   SER  17           HG       SER  17  47.773  -3.405 -13.711
  102    H    GLU  18           HN       GLU  18  46.459  -2.576 -13.480
  103    HA   GLU  18           HA       GLU  18  44.120  -1.239 -13.852
  104    HB2  GLU  18           HB2      GLU  18  46.764   0.139 -14.310
  105    HB3  GLU  18           HB1      GLU  18  45.305   0.791 -13.561
  106    HG2  GLU  18           HG2      GLU  18  46.347   0.263 -11.609
  107    HG3  GLU  18           HG1      GLU  18  45.790  -1.371 -11.964
  108    H    CYS  19           HN       CYS  19  42.992  -1.506 -15.726
  109    HA   CYS  19           HA       CYS  19  44.309  -0.914 -18.281
  110    HB2  CYS  19           HB2      CYS  19  43.002  -2.903 -18.359
  111    HB3  CYS  19           HB1      CYS  19  41.635  -2.122 -17.564
  112    HG   CYS  19           HG       CYS  19  42.445  -1.726 -20.536
  113    H    GLU  20           HN       GLU  20  41.903   0.340 -16.070
  114    HA   GLU  20           HA       GLU  20  41.775   2.799 -17.685
  115    HB2  GLU  20           HB2      GLU  20  39.272   1.917 -16.334
  116    HB3  GLU  20           HB1      GLU  20  39.487   2.843 -17.821
  117    HG2  GLU  20           HG2      GLU  20  40.342   0.745 -18.918
  118    HG3  GLU  20           HG1      GLU  20  39.896  -0.136 -17.458
  119    H    TYR  21           HN       TYR  21  41.103   1.212 -14.585
  120    HA   TYR  21           HA       TYR  21  40.738   3.606 -13.095
  121    HB2  TYR  21           HB2      TYR  21  41.764   1.025 -11.930
  122    HB3  TYR  21           HB1      TYR  21  40.713   2.231 -11.185
  123    HD1  TYR  21           HD2      TYR  21  40.892  -0.473 -13.710
  124    HD2  TYR  21           HD1      TYR  21  38.340   2.264 -11.604
  125    HE1  TYR  21           HE2      TYR  21  38.901  -1.702 -14.528
  126    HE2  TYR  21           HE1      TYR  21  36.347   1.036 -12.422
  127    HH   TYR  21           HH       TYR  21  36.670  -1.972 -14.258
  128    H    THR  22           HN       THR  22  42.690   4.623 -14.268
  129    HA   THR  22           HA       THR  22  44.851   4.757 -12.361
  130    HB   THR  22           HB       THR  22  45.981   3.059 -13.407
  131    HG1  THR  22           HG1      THR  22  47.540   4.080 -14.380
  132   HG21  THR  22          HG21      THR  22  44.242   2.391 -14.928
  133   HG22  THR  22          HG22      THR  22  45.711   2.598 -15.882
  134   HG23  THR  22          HG23      THR  22  44.461   3.843 -15.905
  135    H    ASP  23           HN       ASP  23  43.879   5.549 -15.697
  136    HA   ASP  23           HA       ASP  23  45.345   7.984 -15.822
  137    HB2  ASP  23           HB2      ASP  23  43.068   6.829 -17.419
  138    HB3  ASP  23           HB1      ASP  23  43.680   8.453 -17.735
  139    H    TRP  24           HN       TRP  24  41.805   7.515 -15.687
  140    HA   TRP  24           HA       TRP  24  41.268  10.204 -14.954
  141    HB2  TRP  24           HB2      TRP  24  39.027   9.568 -14.847
  142    HB3  TRP  24           HB1      TRP  24  39.695   8.382 -15.968
  143    HD1  TRP  24           HD1      TRP  24  39.827   5.891 -15.203
  144    HE1  TRP  24           HE1      TRP  24  38.906   4.616 -13.159
  145    HE3  TRP  24           HE3      TRP  24  38.487   9.827 -12.237
  146    HZ2  TRP  24           HZ2      TRP  24  37.755   5.190 -10.604
  147    HZ3  TRP  24           HZ3      TRP  24  37.482   9.434 -10.006
  148    HH2  TRP  24           HH2      TRP  24  37.115   7.122  -9.187
  149    H    LYS  25           HN       LYS  25  42.320   7.471 -13.166
  150    HA   LYS  25           HA       LYS  25  41.293   7.686 -10.661
  151    HB2  LYS  25           HB2      LYS  25  43.196   6.180 -11.484
  152    HB3  LYS  25           HB1      LYS  25  44.275   7.514 -11.079
  153    HG2  LYS  25           HG2      LYS  25  43.472   7.497  -8.763
  154    HG3  LYS  25           HG1      LYS  25  42.330   6.211  -9.152
  155    HD2  LYS  25           HD2      LYS  25  45.214   5.762  -9.796
  156    HD3  LYS  25           HD1      LYS  25  44.717   5.659  -8.107
  157    HE2  LYS  25           HE2      LYS  25  43.084   4.233 -10.175
  158    HE3  LYS  25           HE1      LYS  25  44.614   3.519  -9.663
  159    HZ1  LYS  25           HZ1      LYS  25  43.206   2.649  -8.116
  160    HZ2  LYS  25           HZ2      LYS  25  42.168   3.993  -8.119
  161    HZ3  LYS  25           HZ3      LYS  25  43.659   4.068  -7.308
  162    H    SER  26           HN       SER  26  40.925   9.364  -9.375
  163    HA   SER  26           HA       SER  26  42.296  11.877  -9.726
  164    HB2  SER  26           HB2      SER  26  40.898  12.363  -7.546
  165    HB3  SER  26           HB1      SER  26  40.094  12.226  -9.107
  166    HG   SER  26           HG       SER  26  39.132  10.497  -8.411
  167    H    SER  27           HN       SER  27  41.734  10.128  -6.680
  168    HA   SER  27           HA       SER  27  43.109   9.701  -4.890
  169    HB2  SER  27           HB2      SER  27  45.006   8.664  -5.494
  170    HB3  SER  27           HB1      SER  27  44.644   9.127  -7.153
  171    HG   SER  27           HG       SER  27  46.275  10.414  -5.241
  172    H    GLY  28           HN       GLY  28  42.956  12.580  -6.498
  173    HA2  GLY  28           HA2      GLY  28  43.741  14.103  -4.208
  174    HA3  GLY  28           HA1      GLY  28  44.934  14.228  -5.497
  175    H    ALA  29           HN       ALA  29  41.591  13.734  -6.293
  176    HA   ALA  29           HA       ALA  29  41.481  16.472  -7.389
  177    HB1  ALA  29           HB1      ALA  29  41.173  14.311  -8.829
  178    HB2  ALA  29           HB2      ALA  29  40.084  15.677  -9.076
  179    HB3  ALA  29           HB3      ALA  29  39.557  14.290  -8.123
  180    H    LEU  30           HN       LEU  30  39.147  14.066  -6.151
  181    HA   LEU  30           HA       LEU  30  37.584  16.274  -4.994
  182    HB2  LEU  30           HB2      LEU  30  35.801  14.546  -4.755
  183    HB3  LEU  30           HB1      LEU  30  36.321  14.777  -6.424
  184    HG   LEU  30           HG       LEU  30  38.036  12.816  -5.296
  185   HD11  LEU  30          HD11      LEU  30  36.461  11.107  -4.559
  186   HD12  LEU  30          HD12      LEU  30  35.101  12.191  -4.854
  187   HD13  LEU  30          HD13      LEU  30  36.250  12.548  -3.565
  188   HD21  LEU  30          HD21      LEU  30  36.992  11.392  -7.029
  189   HD22  LEU  30          HD22      LEU  30  37.342  13.002  -7.658
  190   HD23  LEU  30          HD23      LEU  30  35.692  12.570  -7.210
  191    H    ILE  31           HN       ILE  31  40.113  14.842  -3.925
  192    HA   ILE  31           HA       ILE  31  39.184  13.586  -1.497
  193    HB   ILE  31           HB       ILE  31  42.011  14.498  -1.875
  194   HG12  ILE  31          HG12      ILE  31  41.402  13.576  -4.063
  195   HG13  ILE  31          HG11      ILE  31  42.430  12.432  -3.204
  196   HG21  ILE  31          HG21      ILE  31  41.317  13.351   0.196
  197   HG22  ILE  31          HG22      ILE  31  42.455  12.371  -0.728
  198   HG23  ILE  31          HG23      ILE  31  40.734  11.986  -0.758
  199   HD11  ILE  31          HD11      ILE  31  39.407  12.303  -3.452
  200   HD12  ILE  31          HD12      ILE  31  40.370  11.214  -2.456
  201   HD13  ILE  31          HD13      ILE  31  40.573  11.220  -4.205
  202    HA   PRO  32           HA       PRO  32  40.947  17.835   0.209
  203    HB2  PRO  32           HB2      PRO  32  39.800  19.638  -1.847
  204    HB3  PRO  32           HB1      PRO  32  41.388  19.690  -1.059
  205    HG2  PRO  32           HG2      PRO  32  41.095  18.941  -3.608
  206    HG3  PRO  32           HG1      PRO  32  42.327  18.230  -2.551
  207    HD2  PRO  32           HD2      PRO  32  39.716  17.070  -3.451
  208    HD3  PRO  32           HD1      PRO  32  41.274  16.262  -3.178
  209    H    ALA  33           HN       ALA  33  37.966  17.004  -1.281
  210    HA   ALA  33           HA       ALA  33  36.380  18.832   0.358
  211    HB1  ALA  33           HB1      ALA  33  35.730  16.853  -1.817
  212    HB2  ALA  33           HB2      ALA  33  35.485  18.600  -1.808
  213    HB3  ALA  33           HB3      ALA  33  34.465  17.561  -0.812
  214    H    ILE  34           HN       ILE  34  36.441  15.304  -0.220
  215    HA   ILE  34           HA       ILE  34  34.826  14.555   1.923
  216    HB   ILE  34           HB       ILE  34  37.171  13.044   0.744
  217   HG12  ILE  34          HG12      ILE  34  34.218  12.863   0.076
  218   HG13  ILE  34          HG11      ILE  34  35.368  13.821  -0.860
  219   HG21  ILE  34          HG21      ILE  34  35.282  12.454   2.878
  220   HG22  ILE  34          HG22      ILE  34  36.700  11.543   2.361
  221   HG23  ILE  34          HG23      ILE  34  35.149  11.288   1.561
  222   HD11  ILE  34          HD11      ILE  34  36.693  11.824  -1.341
  223   HD12  ILE  34          HD12      ILE  34  35.020  11.552  -1.829
  224   HD13  ILE  34          HD13      ILE  34  35.627  10.846  -0.332
  225    H    TYR  35           HN       TYR  35  38.388  14.284   1.867
  226    HA   TYR  35           HA       TYR  35  38.883  13.709   4.483
  227    HB2  TYR  35           HB2      TYR  35  40.695  13.868   2.897
  228    HB3  TYR  35           HB1      TYR  35  40.417  15.597   2.683
  229    HD1  TYR  35           HD2      TYR  35  41.504  13.000   5.108
  230    HD2  TYR  35           HD1      TYR  35  41.262  17.201   4.245
  231    HE1  TYR  35           HE2      TYR  35  43.002  13.480   7.026
  232    HE2  TYR  35           HE1      TYR  35  42.759  17.681   6.164
  233    HH   TYR  35           HH       TYR  35  43.507  15.360   8.536
  234    H    MET  36           HN       MET  36  38.144  16.895   3.132
  235    HA   MET  36           HA       MET  36  38.596  18.401   5.479
  236    HB2  MET  36           HB2      MET  36  37.349  18.823   2.860
  237    HB3  MET  36           HB1      MET  36  36.599  19.758   4.154
  238    HG2  MET  36           HG2      MET  36  39.595  19.658   3.764
  239    HG3  MET  36           HG1      MET  36  38.580  20.867   2.978
  240    HE1  MET  36           HE1      MET  36  38.134  23.292   4.323
  241    HE2  MET  36           HE2      MET  36  36.993  22.893   5.605
  242    HE3  MET  36           HE3      MET  36  36.867  22.089   4.043
  243    H    LEU  37           HN       LEU  37  35.495  17.320   4.067
  244    HA   LEU  37           HA       LEU  37  34.035  17.939   6.464
  245    HB2  LEU  37           HB2      LEU  37  33.122  16.196   4.170
  246    HB3  LEU  37           HB1      LEU  37  32.119  17.100   5.305
  247    HG   LEU  37           HG       LEU  37  34.039  18.316   3.297
  248   HD11  LEU  37          HD11      LEU  37  31.725  19.265   2.499
  249   HD12  LEU  37          HD12      LEU  37  31.065  17.867   3.350
  250   HD13  LEU  37          HD13      LEU  37  32.200  17.635   2.020
  251   HD21  LEU  37          HD21      LEU  37  32.315  19.434   5.498
  252   HD22  LEU  37          HD22      LEU  37  32.654  20.406   4.065
  253   HD23  LEU  37          HD23      LEU  37  33.980  19.839   5.081
  254    H    VAL  38           HN       VAL  38  36.279  16.090   6.782
  255    HA   VAL  38           HA       VAL  38  34.791  13.882   8.038
  256    HB   VAL  38           HB       VAL  38  37.108  13.642   6.129
  257   HG11  VAL  38          HG11      VAL  38  37.906  12.349   7.931
  258   HG12  VAL  38          HG12      VAL  38  37.040  11.173   6.941
  259   HG13  VAL  38          HG13      VAL  38  36.285  11.830   8.393
  260   HG21  VAL  38          HG21      VAL  38  35.656  11.890   5.164
  261   HG22  VAL  38          HG22      VAL  38  34.810  13.436   5.242
  262   HG23  VAL  38          HG23      VAL  38  34.464  12.181   6.432
  263    H    PHE  39           HN       PHE  39  37.399  16.131   8.004
  264    HA   PHE  39           HA       PHE  39  38.799  14.939  10.251
  265    HB2  PHE  39           HB2      PHE  39  40.305  16.063   8.899
  266    HB3  PHE  39           HB1      PHE  39  39.169  17.362   8.534
  267    HD1  PHE  39           HD2      PHE  39  40.318  15.875  11.778
  268    HD2  PHE  39           HD1      PHE  39  40.068  19.381   9.308
  269    HE1  PHE  39           HE2      PHE  39  41.284  17.235  13.612
  270    HE2  PHE  39           HE1      PHE  39  41.035  20.741  11.142
  271    HZ   PHE  39           HZ       PHE  39  41.643  19.668  13.294
  272    H    LEU  40           HN       LEU  40  36.651  17.690   9.650
  273    HA   LEU  40           HA       LEU  40  36.587  18.262  12.537
  274    HB2  LEU  40           HB2      LEU  40  35.344  20.327  11.802
  275    HB3  LEU  40           HB1      LEU  40  36.999  20.218  11.201
  276    HG   LEU  40           HG       LEU  40  35.045  18.921   9.438
  277   HD11  LEU  40          HD11      LEU  40  34.105  21.045   8.583
  278   HD12  LEU  40          HD12      LEU  40  34.900  21.917   9.893
  279   HD13  LEU  40          HD13      LEU  40  33.622  20.756  10.255
  280   HD21  LEU  40          HD21      LEU  40  37.098  21.120   9.029
  281   HD22  LEU  40          HD22      LEU  40  36.306  20.198   7.751
  282   HD23  LEU  40          HD23      LEU  40  37.413  19.393   8.864
  283    H    LEU  41           HN       LEU  41  34.907  16.548  10.199
  284    HA   LEU  41           HA       LEU  41  32.521  16.449  11.925
  285    HB2  LEU  41           HB2      LEU  41  32.606  16.956   8.958
  286    HB3  LEU  41           HB1      LEU  41  31.192  16.231   9.724
  287    HG   LEU  41           HG       LEU  41  32.331  18.682  10.987
  288   HD11  LEU  41          HD11      LEU  41  31.015  20.110   9.435
  289   HD12  LEU  41          HD12      LEU  41  30.677  18.692   8.442
  290   HD13  LEU  41          HD13      LEU  41  32.332  19.278   8.608
  291   HD21  LEU  41          HD21      LEU  41  30.051  19.034  11.616
  292   HD22  LEU  41          HD22      LEU  41  30.329  17.303  11.799
  293   HD23  LEU  41          HD23      LEU  41  29.465  17.912  10.388
  294    H    GLY  42           HN       GLY  42  34.897  14.704  11.468
  295    HA2  GLY  42           HA2      GLY  42  33.445  12.211  11.219
  296    HA3  GLY  42           HA1      GLY  42  34.606  12.497   9.928
  297    H    THR  43           HN       THR  43  35.278  13.813  13.051
  298    HA   THR  43           HA       THR  43  36.694  11.591  14.140
  299    HB   THR  43           HB       THR  43  38.245  13.648  12.577
  300    HG1  THR  43           HG1      THR  43  38.560  10.847  12.811
  301   HG21  THR  43          HG21      THR  43  40.251  12.476  13.739
  302   HG22  THR  43          HG22      THR  43  39.076  12.030  14.976
  303   HG23  THR  43          HG23      THR  43  39.388  13.730  14.629
  304    H    THR  44           HN       THR  44  35.877  14.952  14.034
  305    HA   THR  44           HA       THR  44  36.873  15.366  16.774
  306    HB   THR  44           HB       THR  44  36.022  17.230  14.571
  307    HG1  THR  44           HG1      THR  44  38.161  18.019  15.806
  308   HG21  THR  44          HG21      THR  44  36.502  19.020  16.400
  309   HG22  THR  44          HG22      THR  44  36.136  17.722  17.536
  310   HG23  THR  44          HG23      THR  44  34.917  18.246  16.375
  311    H    GLY  45           HN       GLY  45  33.951  15.230  14.837
  312    HA2  GLY  45           HA2      GLY  45  32.290  15.942  17.152
  313    HA3  GLY  45           HA1      GLY  45  31.734  15.770  15.490
  314    H    ASN  46           HN       ASN  46  33.734  13.226  15.999
  315    HA   ASN  46           HA       ASN  46  31.677  11.504  17.214
  316    HB2  ASN  46           HB2      ASN  46  31.326  10.277  15.362
  317    HB3  ASN  46           HB1      ASN  46  32.069  11.608  14.476
  318   HD21  ASN  46          HD21      ASN  46  34.603  11.460  14.411
  319   HD22  ASN  46          HD22      ASN  46  35.254   9.907  14.193
  320    H    GLY  47           HN       GLY  47  34.704  12.611  17.387
  321    HA2  GLY  47           HA2      GLY  47  35.999  10.047  18.002
  322    HA3  GLY  47           HA1      GLY  47  36.804  11.607  17.865
  323    H    LEU  48           HN       LEU  48  33.864  11.538  19.644
  324    HA   LEU  48           HA       LEU  48  35.310  11.345  22.207
  325    HB2  LEU  48           HB2      LEU  48  33.512  13.582  21.279
  326    HB3  LEU  48           HB1      LEU  48  33.819  13.272  22.988
  327    HG   LEU  48           HG       LEU  48  36.252  13.312  21.335
  328   HD11  LEU  48          HD11      LEU  48  34.520  15.781  21.631
  329   HD12  LEU  48          HD12      LEU  48  35.090  15.054  20.128
  330   HD13  LEU  48          HD13      LEU  48  36.235  15.833  21.221
  331   HD21  LEU  48          HD21      LEU  48  37.037  14.686  23.223
  332   HD22  LEU  48          HD22      LEU  48  36.215  13.243  23.814
  333   HD23  LEU  48          HD23      LEU  48  35.388  14.799  23.837
  334    H    VAL  49           HN       VAL  49  32.383  11.009  20.347
  335    HA   VAL  49           HA       VAL  49  30.696  10.257  22.542
  336    HB   VAL  49           HB       VAL  49  29.772  11.169  20.453
  337   HG11  VAL  49          HG11      VAL  49  30.555   8.546  19.166
  338   HG12  VAL  49          HG12      VAL  49  31.533  10.006  19.017
  339   HG13  VAL  49          HG13      VAL  49  29.887   9.979  18.383
  340   HG21  VAL  49          HG21      VAL  49  27.871   9.911  20.625
  341   HG22  VAL  49          HG22      VAL  49  28.736   9.133  21.950
  342   HG23  VAL  49          HG23      VAL  49  28.731   8.397  20.346
  343    H    LEU  50           HN       LEU  50  33.357   8.809  21.781
  344    HA   LEU  50           HA       LEU  50  32.307   6.132  22.351
  345    HB2  LEU  50           HB2      LEU  50  34.123   5.315  20.630
  346    HB3  LEU  50           HB1      LEU  50  32.516   5.777  20.072
  347    HG   LEU  50           HG       LEU  50  33.325   8.014  19.491
  348   HD11  LEU  50          HD11      LEU  50  35.877   6.977  20.732
  349   HD12  LEU  50          HD12      LEU  50  35.004   8.463  21.108
  350   HD13  LEU  50          HD13      LEU  50  35.887   8.319  19.587
  351   HD21  LEU  50          HD21      LEU  50  35.068   5.761  18.449
  352   HD22  LEU  50          HD22      LEU  50  34.949   7.353  17.701
  353   HD23  LEU  50          HD23      LEU  50  33.533   6.303  17.770
  354    H    TRP  51           HN       TRP  51  34.155   8.511  23.361
  355    HA   TRP  51           HA       TRP  51  36.464   6.851  24.140
  356    HB2  TRP  51           HB2      TRP  51  37.407   8.794  23.360
  357    HB3  TRP  51           HB1      TRP  51  36.012   9.777  23.806
  358    HD1  TRP  51           HD1      TRP  51  38.804   7.777  25.598
  359    HE1  TRP  51           HE1      TRP  51  39.450   9.055  27.742
  360    HE3  TRP  51           HE3      TRP  51  35.472  11.641  25.361
  361    HZ2  TRP  51           HZ2      TRP  51  38.659  11.404  29.169
  362    HZ3  TRP  51           HZ3      TRP  51  35.440  13.382  27.124
  363    HH2  TRP  51           HH2      TRP  51  37.028  13.268  29.025
  364    H    THR  52           HN       THR  52  34.183   9.208  25.546
  365    HA   THR  52           HA       THR  52  34.830   8.383  28.242
  366    HB   THR  52           HB       THR  52  34.220  10.726  27.704
  367    HG1  THR  52           HG1      THR  52  33.625  10.647  29.700
  368   HG21  THR  52          HG21      THR  52  31.372   9.814  27.394
  369   HG22  THR  52          HG22      THR  52  32.441   9.860  25.993
  370   HG23  THR  52          HG23      THR  52  32.111  11.337  26.898
  371    H    VAL  53           HN       VAL  53  32.384   7.691  25.846
  372    HA   VAL  53           HA       VAL  53  30.502   6.477  27.623
  373    HB   VAL  53           HB       VAL  53  30.905   6.377  24.636
  374   HG11  VAL  53          HG11      VAL  53  29.128   4.755  26.414
  375   HG12  VAL  53          HG12      VAL  53  29.899   4.309  24.892
  376   HG13  VAL  53          HG13      VAL  53  28.466   5.337  24.886
  377   HG21  VAL  53          HG21      VAL  53  29.993   8.439  25.828
  378   HG22  VAL  53          HG22      VAL  53  28.609   7.449  26.296
  379   HG23  VAL  53          HG23      VAL  53  28.939   7.754  24.590
  380    H    PHE  54           HN       PHE  54  33.156   5.271  25.614
  381    HA   PHE  54           HA       PHE  54  32.710   2.524  25.906
  382    HB2  PHE  54           HB2      PHE  54  34.709   4.172  24.804
  383    HB3  PHE  54           HB1      PHE  54  35.530   3.118  25.955
  384    HD1  PHE  54           HD1      PHE  54  34.966   0.589  25.859
  385    HD2  PHE  54           HD2      PHE  54  34.080   3.352  22.692
  386    HE1  PHE  54           HE1      PHE  54  34.786  -1.299  24.261
  387    HE2  PHE  54           HE2      PHE  54  33.901   1.464  21.095
  388    HZ   PHE  54           HZ       PHE  54  34.254  -0.863  21.880
  389    H    ARG  55           HN       ARG  55  33.571   4.839  28.238
  390    HA   ARG  55           HA       ARG  55  34.724   2.808  30.035
  391    HB2  ARG  55           HB2      ARG  55  34.542   5.594  30.976
  392    HB3  ARG  55           HB1      ARG  55  35.903   4.472  31.021
  393    HG2  ARG  55           HG2      ARG  55  36.200   4.829  28.554
  394    HG3  ARG  55           HG1      ARG  55  34.951   6.072  28.630
  395    HD2  ARG  55           HD2      ARG  55  37.133   7.137  28.791
  396    HD3  ARG  55           HD1      ARG  55  36.309   7.277  30.341
  397    HE   ARG  55           HE       ARG  55  37.915   4.933  30.306
  398   HH11  ARG  55          HH21      ARG  55  38.075   8.388  30.426
  399   HH12  ARG  55          HH22      ARG  55  39.568   8.427  31.302
  400   HH21  ARG  55          HH11      ARG  55  39.872   4.976  31.457
  401   HH22  ARG  55          HH12      ARG  55  40.585   6.495  31.887
  402    H    LYS  56           HN       LYS  56  31.762   3.765  29.220
  403    HA   LYS  56           HA       LYS  56  30.718   3.969  31.965
  404    HB2  LYS  56           HB2      LYS  56  29.920   5.047  29.395
  405    HB3  LYS  56           HB1      LYS  56  28.589   4.179  30.162
  406    HG2  LYS  56           HG2      LYS  56  28.618   6.543  30.866
  407    HG3  LYS  56           HG1      LYS  56  28.933   5.474  32.234
  408    HD2  LYS  56           HD2      LYS  56  30.971   6.375  32.563
  409    HD3  LYS  56           HD1      LYS  56  31.399   6.165  30.864
  410    HE2  LYS  56           HE2      LYS  56  29.657   8.419  31.897
  411    HE3  LYS  56           HE1      LYS  56  31.391   8.566  31.611
  412    HZ1  LYS  56           HZ1      LYS  56  30.088   7.404  29.376
  413    HZ2  LYS  56           HZ2      LYS  56  31.041   8.807  29.452
  414    HZ3  LYS  56           HZ3      LYS  56  29.374   8.892  29.766
  415    H    LYS  57           HN       LYS  57  29.379   2.513  29.008
  416    HA   LYS  57           HA       LYS  57  27.933   0.504  30.293
  417    HB2  LYS  57           HB2      LYS  57  27.745  -0.550  28.121
  418    HB3  LYS  57           HB1      LYS  57  27.653   1.199  27.909
  419    HG2  LYS  57           HG2      LYS  57  29.296   0.930  26.373
  420    HG3  LYS  57           HG1      LYS  57  30.369   0.720  27.757
  421    HD2  LYS  57           HD2      LYS  57  29.703  -1.762  27.690
  422    HD3  LYS  57           HD1      LYS  57  29.032  -1.418  26.095
  423    HE2  LYS  57           HE2      LYS  57  31.411  -0.289  25.722
  424    HE3  LYS  57           HE1      LYS  57  31.884  -1.415  26.995
  425    HZ1  LYS  57           HZ1      LYS  57  32.117  -2.802  25.253
  426    HZ2  LYS  57           HZ2      LYS  57  31.030  -1.945  24.267
  427    HZ3  LYS  57           HZ3      LYS  57  30.447  -3.017  25.449
  428    H    GLY  58           HN       GLY  58  31.241   0.847  30.181
  429    HA2  GLY  58           HA2      GLY  58  32.122  -1.828  29.829
  430    HA3  GLY  58           HA1      GLY  58  33.022  -0.544  30.631
  431    H    HIS  59           HN       HIS  59  29.995  -0.829  32.019
  432    HA   HIS  59           HA       HIS  59  30.939  -2.740  34.067
  433    HB2  HIS  59           HB2      HIS  59  30.206  -1.326  35.829
  434    HB3  HIS  59           HB1      HIS  59  31.138  -0.289  34.750
  435    HD2  HIS  59           HD2      HIS  59  28.432  -0.100  32.567
  436    HE1  HIS  59           HE1      HIS  59  26.810   2.072  35.803
  437    HE2  HIS  59           HE2      HIS  59  26.572   1.568  33.326
  438    H    HIS  60           HN       HIS  60  28.806  -2.358  31.719
  439    HA   HIS  60           HA       HIS  60  26.717  -3.847  33.164
  440    HB2  HIS  60           HB2      HIS  60  26.371  -1.213  32.422
  441    HB3  HIS  60           HB1      HIS  60  25.663  -2.094  31.068
  442    HD2  HIS  60           HD2      HIS  60  25.202  -1.997  35.020
  443    HE1  HIS  60           HE1      HIS  60  21.666  -3.476  33.251
  444    HE2  HIS  60           HE2      HIS  60  22.749  -2.789  35.442
  445    H    HIS  61           HN       HIS  61  27.629  -2.685  29.911
  446    HA   HIS  61           HA       HIS  61  27.822  -3.793  27.906
  447    HB2  HIS  61           HB2      HIS  61  28.794  -5.578  29.815
  448    HB3  HIS  61           HB1      HIS  61  27.639  -6.526  28.878
  449    HD2  HIS  61           HD2      HIS  61  30.521  -3.963  27.811
  450    HE1  HIS  61           HE1      HIS  61  30.526  -7.269  25.186
  451    HE2  HIS  61           HE2      HIS  61  31.657  -5.062  25.732
  452    H    HIS  62           HN       HIS  62  26.491  -4.744  26.344
  453    HA   HIS  62           HA       HIS  62  23.718  -5.173  27.237
  454    HB2  HIS  62           HB2      HIS  62  23.030  -4.564  25.048
  455    HB3  HIS  62           HB1      HIS  62  24.311  -3.426  25.468
  456    HD2  HIS  62           HD2      HIS  62  23.533  -6.000  22.729
  457    HE1  HIS  62           HE1      HIS  62  27.643  -5.100  22.373
  458    HE2  HIS  62           HE2      HIS  62  25.673  -6.244  21.251
  459    H    HIS  63           HN       HIS  63  22.475  -6.755  25.779
  460    HA   HIS  63           HA       HIS  63  23.932  -8.942  24.626
  461    HB2  HIS  63           HB2      HIS  63  24.319  -9.506  26.961
  462    HB3  HIS  63           HB1      HIS  63  22.597  -9.356  27.312
  463    HD2  HIS  63           HD2      HIS  63  24.622 -11.559  24.655
  464    HE1  HIS  63           HE1      HIS  63  21.522 -13.876  26.342
  465    HE2  HIS  63           HE2      HIS  63  23.451 -13.893  24.691
  466    H    HIS  64           HN       HIS  64  22.192  -7.632  23.259
  467    HA   HIS  64           HA       HIS  64  19.463  -8.053  23.521
  468    HB2  HIS  64           HB2      HIS  64  21.253  -7.169  21.467
  469    HB3  HIS  64           HB1      HIS  64  20.085  -8.286  20.760
  470    HD2  HIS  64           HD2      HIS  64  18.030  -6.699  19.826
  471    HE1  HIS  64           HE1      HIS  64  17.763  -4.060  23.110
  472    HE2  HIS  64           HE2      HIS  64  16.742  -4.682  20.870
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  31.592   4.720 -20.587
    2    H2   MET   1           HT2      MET   1  30.468   5.935 -20.206
    3    H3   MET   1           HT3      MET   1  30.157   4.855 -21.480
    4    HA   MET   1           HA       MET   1  30.524   3.161 -19.425
    5    HB2  MET   1           HB2      MET   1  29.075   5.629 -18.416
    6    HB3  MET   1           HB1      MET   1  29.170   4.084 -17.568
    7    HG2  MET   1           HG2      MET   1  31.696   5.450 -18.454
    8    HG3  MET   1           HG1      MET   1  30.887   5.982 -16.979
    9    HE1  MET   1           HE1      MET   1  33.199   5.569 -16.203
   10    HE2  MET   1           HE2      MET   1  33.647   4.093 -15.351
   11    HE3  MET   1           HE3      MET   1  32.261   5.031 -14.803
   12    H    GLU   2           HN       GLU   2  29.492   2.389 -21.477
   13    HA   GLU   2           HA       GLU   2  26.569   2.381 -21.143
   14    HB2  GLU   2           HB2      GLU   2  27.294   4.045 -22.936
   15    HB3  GLU   2           HB1      GLU   2  27.845   2.651 -23.865
   16    HG2  GLU   2           HG2      GLU   2  25.671   2.860 -24.653
   17    HG3  GLU   2           HG1      GLU   2  25.433   1.724 -23.327
   18    H    GLU   3           HN       GLU   3  27.659   0.314 -20.156
   19    HA   GLU   3           HA       GLU   3  28.672  -1.732 -21.768
   20    HB2  GLU   3           HB2      GLU   3  27.084  -1.785 -19.203
   21    HB3  GLU   3           HB1      GLU   3  27.699  -3.254 -19.961
   22    HG2  GLU   3           HG2      GLU   3  29.966  -2.526 -19.754
   23    HG3  GLU   3           HG1      GLU   3  29.472  -0.889 -19.328
   24    H    GLY   4           HN       GLY   4  27.611  -3.711 -22.480
   25    HA2  GLY   4           HA2      GLY   4  25.762  -4.955 -23.244
   26    HA3  GLY   4           HA1      GLY   4  24.726  -3.564 -22.941
   27    H    GLY   5           HN       GLY   5  27.688  -4.042 -24.875
   28    HA2  GLY   5           HA2      GLY   5  26.392  -2.630 -27.107
   29    HA3  GLY   5           HA1      GLY   5  28.122  -2.908 -26.927
   30    H    ASP   6           HN       ASP   6  28.008  -5.677 -26.305
   31    HA   ASP   6           HA       ASP   6  28.278  -7.624 -27.526
   32    HB2  ASP   6           HB2      ASP   6  25.879  -7.632 -26.752
   33    HB3  ASP   6           HB1      ASP   6  25.432  -7.013 -28.341
   34    H    PHE   7           HN       PHE   7  28.816  -5.015 -28.956
   35    HA   PHE   7           HA       PHE   7  28.892  -6.170 -31.653
   36    HB2  PHE   7           HB2      PHE   7  27.783  -4.449 -32.706
   37    HB3  PHE   7           HB1      PHE   7  26.893  -4.484 -31.184
   38    HD1  PHE   7           HD1      PHE   7  28.624  -3.233 -29.259
   39    HD2  PHE   7           HD2      PHE   7  28.027  -2.222 -33.390
   40    HE1  PHE   7           HE1      PHE   7  29.324  -0.901 -28.789
   41    HE2  PHE   7           HE2      PHE   7  28.726   0.110 -32.921
   42    HZ   PHE   7           HZ       PHE   7  29.374   0.771 -30.620
   43    H    ASP   8           HN       ASP   8  30.397  -4.644 -29.119
   44    HA   ASP   8           HA       ASP   8  32.109  -2.751 -30.122
   45    HB2  ASP   8           HB2      ASP   8  31.930  -4.056 -27.762
   46    HB3  ASP   8           HB1      ASP   8  33.395  -4.794 -28.409
   47    H    ASN   9           HN       ASN   9  33.548  -2.705 -31.717
   48    HA   ASN   9           HA       ASN   9  35.262  -4.967 -32.277
   49    HB2  ASN   9           HB2      ASN   9  33.296  -5.632 -33.551
   50    HB3  ASN   9           HB1      ASN   9  33.232  -4.049 -34.326
   51   HD21  ASN   9          HD21      ASN   9  34.582  -3.702 -36.147
   52   HD22  ASN   9          HD22      ASN   9  35.674  -4.860 -36.735
   53    H    TYR  10           HN       TYR  10  34.023  -1.865 -33.509
   54    HA   TYR  10           HA       TYR  10  36.186  -1.087 -35.059
   55    HB2  TYR  10           HB2      TYR  10  34.245   0.507 -33.389
   56    HB3  TYR  10           HB1      TYR  10  35.481   1.282 -34.381
   57    HD1  TYR  10           HD2      TYR  10  35.554   0.792 -36.868
   58    HD2  TYR  10           HD1      TYR  10  32.267  -0.385 -34.365
   59    HE1  TYR  10           HE2      TYR  10  34.128   0.501 -38.876
   60    HE2  TYR  10           HE1      TYR  10  30.842  -0.674 -36.373
   61    HH   TYR  10           HH       TYR  10  32.166  -0.224 -39.645
   62    H    TYR  11           HN       TYR  11  35.691  -0.667 -31.566
   63    HA   TYR  11           HA       TYR  11  37.208  -0.364 -29.861
   64    HB2  TYR  11           HB2      TYR  11  38.552  -1.972 -31.531
   65    HB3  TYR  11           HB1      TYR  11  39.566  -0.534 -31.665
   66    HD1  TYR  11           HD1      TYR  11  40.311   0.601 -29.456
   67    HD2  TYR  11           HD2      TYR  11  38.767  -3.402 -29.676
   68    HE1  TYR  11           HE1      TYR  11  41.337   0.084 -27.259
   69    HE2  TYR  11           HE2      TYR  11  39.794  -3.919 -27.479
   70    HH   TYR  11           HH       TYR  11  40.496  -2.433 -25.386
   71    H    GLY  12           HN       GLY  12  38.831   1.014 -32.730
   72    HA2  GLY  12           HA2      GLY  12  39.927   3.255 -31.553
   73    HA3  GLY  12           HA1      GLY  12  39.418   3.186 -33.239
   74    H    ALA  13           HN       ALA  13  36.608   2.704 -32.550
   75    HA   ALA  13           HA       ALA  13  35.506   5.188 -32.727
   76    HB1  ALA  13           HB1      ALA  13  33.512   4.139 -31.434
   77    HB2  ALA  13           HB2      ALA  13  34.488   2.670 -31.438
   78    HB3  ALA  13           HB3      ALA  13  34.002   3.410 -32.964
   79    H    ASP  14           HN       ASP  14  36.832   3.680 -29.877
   80    HA   ASP  14           HA       ASP  14  35.690   5.100 -27.809
   81    HB2  ASP  14           HB2      ASP  14  38.040   4.940 -26.754
   82    HB3  ASP  14           HB1      ASP  14  37.231   3.437 -27.192
   83    H    ASN  15           HN       ASN  15  37.595   6.303 -30.384
   84    HA   ASN  15           HA       ASN  15  38.905   8.496 -29.327
   85    HB2  ASN  15           HB2      ASN  15  38.852   7.667 -31.750
   86    HB3  ASN  15           HB1      ASN  15  37.382   8.624 -31.925
   87   HD21  ASN  15          HD21      ASN  15  38.952  10.383 -29.693
   88   HD22  ASN  15          HD22      ASN  15  39.882  11.398 -30.686
   89    H    GLN  16           HN       GLN  16  35.481   8.092 -30.037
   90    HA   GLN  16           HA       GLN  16  34.953  10.848 -29.144
   91    HB2  GLN  16           HB2      GLN  16  33.064   8.844 -30.404
   92    HB3  GLN  16           HB1      GLN  16  32.730  10.547 -30.087
   93    HG2  GLN  16           HG2      GLN  16  35.161  10.468 -31.534
   94    HG3  GLN  16           HG1      GLN  16  34.056   9.366 -32.356
   95   HE21  GLN  16          HE21      GLN  16  31.602  10.525 -32.190
   96   HE22  GLN  16          HE22      GLN  16  31.608  12.093 -32.840
   97    H    SER  17           HN       SER  17  35.794   9.047 -27.172
   98    HA   SER  17           HA       SER  17  33.365   8.930 -25.517
   99    HB2  SER  17           HB2      SER  17  35.356   6.670 -25.818
  100    HB3  SER  17           HB1      SER  17  34.053   6.722 -24.634
  101    HG   SER  17           HG       SER  17  32.954   7.278 -26.938
  102    H    GLU  18           HN       GLU  18  34.434   7.892 -23.233
  103    HA   GLU  18           HA       GLU  18  35.589  10.024 -21.938
  104    HB2  GLU  18           HB2      GLU  18  36.090   7.103 -21.316
  105    HB3  GLU  18           HB1      GLU  18  36.269   8.454 -20.197
  106    HG2  GLU  18           HG2      GLU  18  34.087   8.323 -19.681
  107    HG3  GLU  18           HG1      GLU  18  33.671   8.630 -21.367
  108    H    CYS  19           HN       CYS  19  37.246  11.045 -23.020
  109    HA   CYS  19           HA       CYS  19  39.671   9.483 -23.610
  110    HB2  CYS  19           HB2      CYS  19  40.332  11.269 -25.044
  111    HB3  CYS  19           HB1      CYS  19  38.619  10.996 -25.362
  112    HG   CYS  19           HG       CYS  19  38.714  13.065 -23.257
  113    H    GLU  20           HN       GLU  20  38.482  12.241 -21.756
  114    HA   GLU  20           HA       GLU  20  40.850  12.051 -20.037
  115    HB2  GLU  20           HB2      GLU  20  39.927  14.619 -21.349
  116    HB3  GLU  20           HB1      GLU  20  41.136  14.516 -20.070
  117    HG2  GLU  20           HG2      GLU  20  42.449  12.952 -21.555
  118    HG3  GLU  20           HG1      GLU  20  41.306  13.318 -22.846
  119    H    TYR  21           HN       TYR  21  38.404  11.092 -19.363
  120    HA   TYR  21           HA       TYR  21  37.581  12.974 -17.260
  121    HB2  TYR  21           HB2      TYR  21  35.595  11.465 -18.971
  122    HB3  TYR  21           HB1      TYR  21  35.233  12.623 -17.692
  123    HD1  TYR  21           HD2      TYR  21  36.774  12.251 -21.057
  124    HD2  TYR  21           HD1      TYR  21  35.262  14.973 -18.098
  125    HE1  TYR  21           HE2      TYR  21  36.905  14.107 -22.698
  126    HE2  TYR  21           HE1      TYR  21  35.393  16.829 -19.738
  127    HH   TYR  21           HH       TYR  21  36.174  16.243 -23.117
  128    H    THR  22           HN       THR  22  39.189  10.479 -17.395
  129    HA   THR  22           HA       THR  22  38.159   9.206 -15.079
  130    HB   THR  22           HB       THR  22  36.534   8.233 -16.616
  131    HG1  THR  22           HG1      THR  22  36.812   6.364 -15.712
  132   HG21  THR  22          HG21      THR  22  38.880   7.086 -18.141
  133   HG22  THR  22          HG22      THR  22  38.030   8.546 -18.644
  134   HG23  THR  22          HG23      THR  22  37.173   7.008 -18.573
  135    H    ASP  23           HN       ASP  23  40.226   9.055 -17.922
  136    HA   ASP  23           HA       ASP  23  42.103   7.226 -16.682
  137    HB2  ASP  23           HB2      ASP  23  43.386   7.469 -18.719
  138    HB3  ASP  23           HB1      ASP  23  41.687   7.265 -19.143
  139    H    TRP  24           HN       TRP  24  41.400  10.293 -15.996
  140    HA   TRP  24           HA       TRP  24  44.154  10.875 -15.147
  141    HB2  TRP  24           HB2      TRP  24  44.183  13.051 -16.028
  142    HB3  TRP  24           HB1      TRP  24  43.489  12.091 -17.335
  143    HD1  TRP  24           HD1      TRP  24  40.682  12.005 -17.303
  144    HE1  TRP  24           HE1      TRP  24  39.054  13.954 -16.858
  145    HE3  TRP  24           HE3      TRP  24  43.813  15.237 -14.889
  146    HZ2  TRP  24           HZ2      TRP  24  39.076  16.541 -15.638
  147    HZ3  TRP  24           HZ3      TRP  24  42.985  17.434 -14.097
  148    HH2  TRP  24           HH2      TRP  24  40.622  18.089 -14.468
  149    H    LYS  25           HN       LYS  25  41.876   9.885 -13.695
  150    HA   LYS  25           HA       LYS  25  40.277  11.609 -12.338
  151    HB2  LYS  25           HB2      LYS  25  41.226   9.002 -11.908
  152    HB3  LYS  25           HB1      LYS  25  41.573   9.876 -10.417
  153    HG2  LYS  25           HG2      LYS  25  39.345   8.982 -10.216
  154    HG3  LYS  25           HG1      LYS  25  39.187  10.721 -10.466
  155    HD2  LYS  25           HD2      LYS  25  39.265   9.615 -13.048
  156    HD3  LYS  25           HD1      LYS  25  38.217   8.544 -12.118
  157    HE2  LYS  25           HE2      LYS  25  36.995  10.600 -11.297
  158    HE3  LYS  25           HE1      LYS  25  37.933  11.540 -12.457
  159    HZ1  LYS  25           HZ1      LYS  25  36.688   9.181 -13.557
  160    HZ2  LYS  25           HZ2      LYS  25  36.746  10.765 -14.166
  161    HZ3  LYS  25           HZ3      LYS  25  35.588  10.344 -12.996
  162    H    SER  26           HN       SER  26  40.492  12.593 -10.171
  163    HA   SER  26           HA       SER  26  42.779  14.329 -10.084
  164    HB2  SER  26           HB2      SER  26  41.549  14.815  -7.740
  165    HB3  SER  26           HB1      SER  26  40.995  15.490  -9.268
  166    HG   SER  26           HG       SER  26  39.782  13.365  -9.370
  167    H    SER  27           HN       SER  27  41.441  12.426  -7.392
  168    HA   SER  27           HA       SER  27  42.468  11.032  -5.865
  169    HB2  SER  27           HB2      SER  27  43.823  10.415  -8.077
  170    HB3  SER  27           HB1      SER  27  45.121  11.227  -7.207
  171    HG   SER  27           HG       SER  27  44.913   8.933  -6.782
  172    H    GLY  28           HN       GLY  28  43.618  14.100  -6.792
  173    HA2  GLY  28           HA2      GLY  28  44.732  14.505  -4.091
  174    HA3  GLY  28           HA1      GLY  28  45.649  15.031  -5.499
  175    H    ALA  29           HN       ALA  29  42.440  15.341  -6.237
  176    HA   ALA  29           HA       ALA  29  42.297  18.120  -5.236
  177    HB1  ALA  29           HB1      ALA  29  41.126  17.404  -7.891
  178    HB2  ALA  29           HB2      ALA  29  42.863  17.687  -7.779
  179    HB3  ALA  29           HB3      ALA  29  41.731  18.956  -7.314
  180    H    LEU  30           HN       LEU  30  40.885  15.093  -5.380
  181    HA   LEU  30           HA       LEU  30  38.174  16.179  -4.912
  182    HB2  LEU  30           HB2      LEU  30  39.193  13.798  -6.302
  183    HB3  LEU  30           HB1      LEU  30  37.865  13.460  -5.193
  184    HG   LEU  30           HG       LEU  30  37.124  14.035  -7.530
  185   HD11  LEU  30          HD11      LEU  30  35.232  14.678  -6.504
  186   HD12  LEU  30          HD12      LEU  30  35.910  16.284  -6.244
  187   HD13  LEU  30          HD13      LEU  30  36.144  15.022  -5.035
  188   HD21  LEU  30          HD21      LEU  30  39.053  15.974  -7.384
  189   HD22  LEU  30          HD22      LEU  30  37.595  16.913  -7.066
  190   HD23  LEU  30          HD23      LEU  30  37.732  15.976  -8.552
  191    H    ILE  31           HN       ILE  31  40.868  14.782  -3.422
  192    HA   ILE  31           HA       ILE  31  39.352  13.520  -1.275
  193    HB   ILE  31           HB       ILE  31  42.268  13.843  -0.962
  194   HG12  ILE  31          HG12      ILE  31  42.213  13.576  -3.385
  195   HG13  ILE  31          HG11      ILE  31  42.720  12.053  -2.660
  196   HG21  ILE  31          HG21      ILE  31  40.425  11.438  -0.927
  197   HG22  ILE  31          HG22      ILE  31  40.822  12.424   0.479
  198   HG23  ILE  31          HG23      ILE  31  42.083  11.493  -0.330
  199   HD11  ILE  31          HD11      ILE  31  40.337  12.650  -4.251
  200   HD12  ILE  31          HD12      ILE  31  39.951  11.823  -2.744
  201   HD13  ILE  31          HD13      ILE  31  41.079  11.095  -3.883
  202    HA   PRO  32           HA       PRO  32  41.621  17.256   0.946
  203    HB2  PRO  32           HB2      PRO  32  41.308  19.293  -1.188
  204    HB3  PRO  32           HB1      PRO  32  42.684  18.987  -0.114
  205    HG2  PRO  32           HG2      PRO  32  42.743  18.345  -2.706
  206    HG3  PRO  32           HG1      PRO  32  43.561  17.369  -1.474
  207    HD2  PRO  32           HD2      PRO  32  40.996  16.820  -2.918
  208    HD3  PRO  32           HD1      PRO  32  42.254  15.686  -2.383
  209    H    ALA  33           HN       ALA  33  38.886  17.200  -1.152
  210    HA   ALA  33           HA       ALA  33  37.441  19.172   0.491
  211    HB1  ALA  33           HB1      ALA  33  37.407  19.408  -2.004
  212    HB2  ALA  33           HB2      ALA  33  35.805  19.235  -1.287
  213    HB3  ALA  33           HB3      ALA  33  36.563  17.862  -2.092
  214    H    ILE  34           HN       ILE  34  36.900  15.955  -0.968
  215    HA   ILE  34           HA       ILE  34  34.582  15.289   0.428
  216    HB   ILE  34           HB       ILE  34  36.816  13.593  -0.684
  217   HG12  ILE  34          HG12      ILE  34  33.924  13.870  -1.539
  218   HG13  ILE  34          HG11      ILE  34  35.206  14.903  -2.171
  219   HG21  ILE  34          HG21      ILE  34  34.427  12.832   0.948
  220   HG22  ILE  34          HG22      ILE  34  36.026  12.090   0.888
  221   HG23  ILE  34          HG23      ILE  34  34.869  11.799  -0.410
  222   HD11  ILE  34          HD11      ILE  34  36.039  13.258  -3.492
  223   HD12  ILE  34          HD12      ILE  34  34.484  12.468  -3.236
  224   HD13  ILE  34          HD13      ILE  34  35.866  12.039  -2.230
  225    H    TYR  35           HN       TYR  35  37.623  13.629   1.170
  226    HA   TYR  35           HA       TYR  35  37.072  12.739   3.675
  227    HB2  TYR  35           HB2      TYR  35  39.183  12.288   2.461
  228    HB3  TYR  35           HB1      TYR  35  39.727  13.925   2.828
  229    HD1  TYR  35           HD2      TYR  35  38.635  10.722   4.396
  230    HD2  TYR  35           HD1      TYR  35  40.697  14.453   4.924
  231    HE1  TYR  35           HE2      TYR  35  39.449   9.959   6.612
  232    HE2  TYR  35           HE1      TYR  35  41.511  13.690   7.138
  233    HH   TYR  35           HH       TYR  35  40.932  10.392   8.272
  234    H    MET  36           HN       MET  36  38.280  15.979   2.856
  235    HA   MET  36           HA       MET  36  38.655  17.017   5.397
  236    HB2  MET  36           HB2      MET  36  39.329  18.429   3.667
  237    HB3  MET  36           HB1      MET  36  37.811  18.241   2.788
  238    HG2  MET  36           HG2      MET  36  36.650  19.689   4.235
  239    HG3  MET  36           HG1      MET  36  37.852  19.522   5.515
  240    HE1  MET  36           HE1      MET  36  39.143  21.628   6.075
  241    HE2  MET  36           HE2      MET  36  40.463  21.983   4.963
  242    HE3  MET  36           HE3      MET  36  40.160  20.320   5.458
  243    H    LEU  37           HN       LEU  37  35.705  17.505   3.436
  244    HA   LEU  37           HA       LEU  37  34.082  18.634   5.335
  245    HB2  LEU  37           HB2      LEU  37  33.300  16.601   3.232
  246    HB3  LEU  37           HB1      LEU  37  32.171  17.640   4.101
  247    HG   LEU  37           HG       LEU  37  34.496  18.936   2.742
  248   HD11  LEU  37          HD11      LEU  37  33.224  19.031   0.621
  249   HD12  LEU  37          HD12      LEU  37  32.004  17.959   1.311
  250   HD13  LEU  37          HD13      LEU  37  33.644  17.371   1.041
  251   HD21  LEU  37          HD21      LEU  37  33.110  20.805   2.757
  252   HD22  LEU  37          HD22      LEU  37  32.523  19.959   4.189
  253   HD23  LEU  37          HD23      LEU  37  31.637  19.840   2.669
  254    H    VAL  38           HN       VAL  38  34.723  15.179   4.848
  255    HA   VAL  38           HA       VAL  38  33.024  14.450   7.096
  256    HB   VAL  38           HB       VAL  38  34.895  12.583   5.659
  257   HG11  VAL  38          HG11      VAL  38  33.188  12.197   7.737
  258   HG12  VAL  38          HG12      VAL  38  33.582  10.943   6.562
  259   HG13  VAL  38          HG13      VAL  38  32.104  11.888   6.381
  260   HG21  VAL  38          HG21      VAL  38  32.196  13.602   4.717
  261   HG22  VAL  38          HG22      VAL  38  33.028  12.206   4.033
  262   HG23  VAL  38          HG23      VAL  38  33.742  13.813   3.894
  263    H    PHE  39           HN       PHE  39  35.530  16.118   7.378
  264    HA   PHE  39           HA       PHE  39  37.055  14.361   9.201
  265    HB2  PHE  39           HB2      PHE  39  38.211  15.607   7.266
  266    HB3  PHE  39           HB1      PHE  39  37.954  17.065   8.225
  267    HD1  PHE  39           HD2      PHE  39  39.285  13.574   8.537
  268    HD2  PHE  39           HD1      PHE  39  39.522  17.652   9.864
  269    HE1  PHE  39           HE2      PHE  39  41.261  13.008   9.923
  270    HE2  PHE  39           HE1      PHE  39  41.498  17.087  11.249
  271    HZ   PHE  39           HZ       PHE  39  42.368  14.765  11.279
  272    H    LEU  40           HN       LEU  40  35.291  17.388   8.932
  273    HA   LEU  40           HA       LEU  40  35.880  18.186  11.657
  274    HB2  LEU  40           HB2      LEU  40  33.692  19.381   9.984
  275    HB3  LEU  40           HB1      LEU  40  34.737  20.160  11.173
  276    HG   LEU  40           HG       LEU  40  35.555  19.154   8.433
  277   HD11  LEU  40          HD11      LEU  40  35.268  21.898   9.678
  278   HD12  LEU  40          HD12      LEU  40  34.435  21.267   8.258
  279   HD13  LEU  40          HD13      LEU  40  36.163  21.615   8.184
  280   HD21  LEU  40          HD21      LEU  40  37.438  18.734   9.794
  281   HD22  LEU  40          HD22      LEU  40  37.134  20.148  10.804
  282   HD23  LEU  40          HD23      LEU  40  37.747  20.352   9.163
  283    H    LEU  41           HN       LEU  41  33.700  16.090  10.137
  284    HA   LEU  41           HA       LEU  41  32.072  15.967  12.593
  285    HB2  LEU  41           HB2      LEU  41  30.976  15.821   9.774
  286    HB3  LEU  41           HB1      LEU  41  30.046  15.642  11.262
  287    HG   LEU  41           HG       LEU  41  31.344  18.020  11.705
  288   HD11  LEU  41          HD11      LEU  41  31.352  19.332   9.728
  289   HD12  LEU  41          HD12      LEU  41  30.425  18.130   8.829
  290   HD13  LEU  41          HD13      LEU  41  32.107  17.811   9.250
  291   HD21  LEU  41          HD21      LEU  41  29.148  19.051  11.179
  292   HD22  LEU  41          HD22      LEU  41  28.958  17.554  12.092
  293   HD23  LEU  41          HD23      LEU  41  28.663  17.571  10.353
  294    H    GLY  42           HN       GLY  42  34.321  14.406  11.181
  295    HA2  GLY  42           HA2      GLY  42  32.995  11.759  11.323
  296    HA3  GLY  42           HA1      GLY  42  34.233  12.123  10.127
  297    H    THR  43           HN       THR  43  35.461  13.830  12.441
  298    HA   THR  43           HA       THR  43  36.558  11.656  14.082
  299    HB   THR  43           HB       THR  43  38.870  12.772  13.660
  300    HG1  THR  43           HG1      THR  43  38.999  13.675  11.582
  301   HG21  THR  43          HG21      THR  43  38.471  10.508  12.991
  302   HG22  THR  43          HG22      THR  43  39.146  11.331  11.585
  303   HG23  THR  43          HG23      THR  43  37.413  11.016  11.675
  304    H    THR  44           HN       THR  44  37.070  15.130  13.409
  305    HA   THR  44           HA       THR  44  37.904  16.001  15.856
  306    HB   THR  44           HB       THR  44  36.108  17.288  13.815
  307    HG1  THR  44           HG1      THR  44  38.025  18.603  13.675
  308   HG21  THR  44          HG21      THR  44  36.659  19.421  15.201
  309   HG22  THR  44          HG22      THR  44  36.904  18.294  16.536
  310   HG23  THR  44          HG23      THR  44  35.334  18.389  15.739
  311    H    GLY  45           HN       GLY  45  34.734  14.864  14.994
  312    HA2  GLY  45           HA2      GLY  45  33.301  15.970  17.197
  313    HA3  GLY  45           HA1      GLY  45  32.782  14.616  16.197
  314    H    ASN  46           HN       ASN  46  34.722  12.752  16.606
  315    HA   ASN  46           HA       ASN  46  35.069  10.975  18.046
  316    HB2  ASN  46           HB2      ASN  46  36.651  13.135  18.708
  317    HB3  ASN  46           HB1      ASN  46  35.931  12.691  20.255
  318   HD21  ASN  46          HD21      ASN  46  38.336  11.810  17.935
  319   HD22  ASN  46          HD22      ASN  46  38.790  10.338  18.649
  320    H    GLY  47           HN       GLY  47  32.443  12.522  18.293
  321    HA2  GLY  47           HA2      GLY  47  30.890  11.094  19.849
  322    HA3  GLY  47           HA1      GLY  47  31.760  11.981  21.097
  323    H    LEU  48           HN       LEU  48  30.862  13.275  17.946
  324    HA   LEU  48           HA       LEU  48  28.840  14.995  19.243
  325    HB2  LEU  48           HB2      LEU  48  30.955  15.858  17.256
  326    HB3  LEU  48           HB1      LEU  48  29.638  16.876  17.831
  327    HG   LEU  48           HG       LEU  48  31.736  15.591  19.609
  328   HD11  LEU  48          HD11      LEU  48  31.877  17.905  17.946
  329   HD12  LEU  48          HD12      LEU  48  33.067  17.333  19.117
  330   HD13  LEU  48          HD13      LEU  48  31.798  18.451  19.621
  331   HD21  LEU  48          HD21      LEU  48  30.065  15.975  21.129
  332   HD22  LEU  48          HD22      LEU  48  29.247  17.144  20.095
  333   HD23  LEU  48          HD23      LEU  48  30.653  17.634  21.038
  334    H    VAL  49           HN       VAL  49  30.043  13.434  16.331
  335    HA   VAL  49           HA       VAL  49  27.670  14.168  14.806
  336    HB   VAL  49           HB       VAL  49  29.840  14.105  13.667
  337   HG11  VAL  49          HG11      VAL  49  31.054  12.014  13.398
  338   HG12  VAL  49          HG12      VAL  49  29.804  11.134  14.276
  339   HG13  VAL  49          HG13      VAL  49  30.814  12.309  15.120
  340   HG21  VAL  49          HG21      VAL  49  27.557  13.293  12.628
  341   HG22  VAL  49          HG22      VAL  49  28.345  11.716  12.624
  342   HG23  VAL  49          HG23      VAL  49  29.056  13.060  11.730
  343    H    LEU  50           HN       LEU  50  28.410  11.889  17.092
  344    HA   LEU  50           HA       LEU  50  26.303  10.076  16.090
  345    HB2  LEU  50           HB2      LEU  50  27.543   8.158  16.939
  346    HB3  LEU  50           HB1      LEU  50  28.535   9.036  15.775
  347    HG   LEU  50           HG       LEU  50  29.105  10.278  18.202
  348   HD11  LEU  50          HD11      LEU  50  29.195   7.281  18.613
  349   HD12  LEU  50          HD12      LEU  50  27.904   8.296  19.256
  350   HD13  LEU  50          HD13      LEU  50  29.568   8.541  19.789
  351   HD21  LEU  50          HD21      LEU  50  31.299   9.170  17.936
  352   HD22  LEU  50          HD22      LEU  50  30.690   9.743  16.384
  353   HD23  LEU  50          HD23      LEU  50  30.584   8.032  16.794
  354    H    TRP  51           HN       TRP  51  27.288  12.170  18.456
  355    HA   TRP  51           HA       TRP  51  26.182  10.726  20.728
  356    HB2  TRP  51           HB2      TRP  51  27.918  12.057  21.468
  357    HB3  TRP  51           HB1      TRP  51  27.564  13.344  20.316
  358    HD1  TRP  51           HD1      TRP  51  25.751  11.693  23.321
  359    HE1  TRP  51           HE1      TRP  51  24.580  13.556  24.664
  360    HE3  TRP  51           HE3      TRP  51  26.986  15.746  20.471
  361    HZ2  TRP  51           HZ2      TRP  51  24.215  16.391  24.545
  362    HZ3  TRP  51           HZ3      TRP  51  26.215  18.013  21.107
  363    HH2  TRP  51           HH2      TRP  51  24.831  18.340  23.139
  364    H    THR  52           HN       THR  52  25.533  14.048  19.633
  365    HA   THR  52           HA       THR  52  23.046  14.378  20.732
  366    HB   THR  52           HB       THR  52  23.782  16.322  19.752
  367    HG1  THR  52           HG1      THR  52  21.654  15.389  18.765
  368   HG21  THR  52          HG21      THR  52  24.779  14.488  17.603
  369   HG22  THR  52          HG22      THR  52  25.659  15.699  18.533
  370   HG23  THR  52          HG23      THR  52  24.573  16.200  17.238
  371    H    VAL  53           HN       VAL  53  23.785  12.974  17.548
  372    HA   VAL  53           HA       VAL  53  21.237  12.558  16.574
  373    HB   VAL  53           HB       VAL  53  23.719  10.852  16.340
  374   HG11  VAL  53          HG11      VAL  53  20.962  10.509  15.190
  375   HG12  VAL  53          HG12      VAL  53  22.058   9.285  15.831
  376   HG13  VAL  53          HG13      VAL  53  22.369  10.010  14.253
  377   HG21  VAL  53          HG21      VAL  53  23.761  11.868  14.072
  378   HG22  VAL  53          HG22      VAL  53  23.828  13.096  15.337
  379   HG23  VAL  53          HG23      VAL  53  22.318  12.797  14.476
  380    H    PHE  54           HN       PHE  54  22.979  10.741  19.033
  381    HA   PHE  54           HA       PHE  54  21.178   8.543  19.176
  382    HB2  PHE  54           HB2      PHE  54  23.596   8.834  20.146
  383    HB3  PHE  54           HB1      PHE  54  22.750   9.489  21.547
  384    HD1  PHE  54           HD2      PHE  54  21.215   8.096  22.866
  385    HD2  PHE  54           HD1      PHE  54  23.369   6.494  19.513
  386    HE1  PHE  54           HE2      PHE  54  20.666   5.796  23.613
  387    HE2  PHE  54           HE1      PHE  54  22.821   4.194  20.259
  388    HZ   PHE  54           HZ       PHE  54  21.470   3.844  22.309
  389    H    ARG  55           HN       ARG  55  21.070  11.785  20.358
  390    HA   ARG  55           HA       ARG  55  18.899  11.144  22.234
  391    HB2  ARG  55           HB2      ARG  55  20.541  13.638  21.774
  392    HB3  ARG  55           HB1      ARG  55  19.137  13.593  22.841
  393    HG2  ARG  55           HG2      ARG  55  20.291  12.535  24.469
  394    HG3  ARG  55           HG1      ARG  55  20.963  11.367  23.331
  395    HD2  ARG  55           HD2      ARG  55  22.726  12.866  22.702
  396    HD3  ARG  55           HD1      ARG  55  21.970  14.210  23.553
  397    HE   ARG  55           HE       ARG  55  22.959  13.438  25.499
  398   HH11  ARG  55          HH21      ARG  55  22.810  10.927  23.123
  399   HH12  ARG  55          HH22      ARG  55  23.719   9.792  24.064
  400   HH21  ARG  55          HH11      ARG  55  24.151  11.956  26.739
  401   HH22  ARG  55          HH12      ARG  55  24.478  10.375  26.112
  402    H    LYS  56           HN       LYS  56  19.606  13.026  19.326
  403    HA   LYS  56           HA       LYS  56  17.100  14.306  19.089
  404    HB2  LYS  56           HB2      LYS  56  19.067  13.496  16.935
  405    HB3  LYS  56           HB1      LYS  56  17.727  14.622  16.717
  406    HG2  LYS  56           HG2      LYS  56  19.521  15.192  19.009
  407    HG3  LYS  56           HG1      LYS  56  20.232  15.408  17.408
  408    HD2  LYS  56           HD2      LYS  56  18.491  16.945  16.761
  409    HD3  LYS  56           HD1      LYS  56  17.569  16.599  18.224
  410    HE2  LYS  56           HE2      LYS  56  19.178  17.675  19.614
  411    HE3  LYS  56           HE1      LYS  56  20.372  17.728  18.316
  412    HZ1  LYS  56           HZ1      LYS  56  19.391  19.876  18.540
  413    HZ2  LYS  56           HZ2      LYS  56  17.819  19.235  18.456
  414    HZ3  LYS  56           HZ3      LYS  56  18.830  19.196  17.091
  415    H    LYS  57           HN       LYS  57  18.230  11.115  18.174
  416    HA   LYS  57           HA       LYS  57  16.095  10.420  16.453
  417    HB2  LYS  57           HB2      LYS  57  18.288   9.199  16.670
  418    HB3  LYS  57           HB1      LYS  57  17.692   8.537  18.192
  419    HG2  LYS  57           HG2      LYS  57  16.706   6.902  16.995
  420    HG3  LYS  57           HG1      LYS  57  15.602   8.126  16.369
  421    HD2  LYS  57           HD2      LYS  57  16.599   7.046  14.465
  422    HD3  LYS  57           HD1      LYS  57  17.337   8.643  14.596
  423    HE2  LYS  57           HE2      LYS  57  18.918   6.983  16.215
  424    HE3  LYS  57           HE1      LYS  57  18.592   6.031  14.768
  425    HZ1  LYS  57           HZ1      LYS  57  19.504   7.666  13.400
  426    HZ2  LYS  57           HZ2      LYS  57  20.580   7.580  14.712
  427    HZ3  LYS  57           HZ3      LYS  57  19.458   8.852  14.611
  428    H    GLY  58           HN       GLY  58  14.452  11.530  17.931
  429    HA2  GLY  58           HA2      GLY  58  13.615  10.135  20.302
  430    HA3  GLY  58           HA1      GLY  58  12.746  11.435  19.493
  431    H    HIS  59           HN       HIS  59  13.211   9.597  16.978
  432    HA   HIS  59           HA       HIS  59  11.663   7.270  17.313
  433    HB2  HIS  59           HB2      HIS  59   9.674   8.429  15.897
  434    HB3  HIS  59           HB1      HIS  59   9.645   8.274  17.654
  435    HD2  HIS  59           HD2      HIS  59  11.891  11.001  15.895
  436    HE1  HIS  59           HE1      HIS  59   8.829  12.968  18.034
  437    HE2  HIS  59           HE2      HIS  59  10.957  13.306  16.691
  438    H    HIS  60           HN       HIS  60  10.956   9.572  14.754
  439    HA   HIS  60           HA       HIS  60  12.099   7.738  12.798
  440    HB2  HIS  60           HB2      HIS  60  10.196  10.008  12.758
  441    HB3  HIS  60           HB1      HIS  60  11.198   9.813  11.319
  442    HD2  HIS  60           HD2      HIS  60   7.857   8.633  12.274
  443    HE1  HIS  60           HE1      HIS  60   9.515   5.272  10.328
  444    HE2  HIS  60           HE2      HIS  60   7.361   6.316  11.175
  445    H    HIS  61           HN       HIS  61  13.439   8.626  11.016
  446    HA   HIS  61           HA       HIS  61  15.649  10.139  12.120
  447    HB2  HIS  61           HB2      HIS  61  16.216   8.278  10.717
  448    HB3  HIS  61           HB1      HIS  61  15.171   8.863   9.421
  449    HD2  HIS  61           HD2      HIS  61  17.473  11.503  11.146
  450    HE1  HIS  61           HE1      HIS  61  19.121  10.655   7.355
  451    HE2  HIS  61           HE2      HIS  61  19.270  12.181   9.378
  452    H    HIS  62           HN       HIS  62  13.406  10.524   9.373
  453    HA   HIS  62           HA       HIS  62  14.310  13.089   8.604
  454    HB2  HIS  62           HB2      HIS  62  12.370  13.192   7.227
  455    HB3  HIS  62           HB1      HIS  62  12.849  11.495   7.262
  456    HD2  HIS  62           HD2      HIS  62  10.868   9.789   8.196
  457    HE1  HIS  62           HE1      HIS  62   8.294  12.726   9.799
  458    HE2  HIS  62           HE2      HIS  62   8.552  10.247   9.313
  459    H    HIS  63           HN       HIS  63  12.868  15.065   8.688
  460    HA   HIS  63           HA       HIS  63  10.990  15.419  10.781
  461    HB2  HIS  63           HB2      HIS  63  12.880  15.158  12.275
  462    HB3  HIS  63           HB1      HIS  63  13.817  16.335  11.355
  463    HD2  HIS  63           HD2      HIS  63  13.589  18.874  12.399
  464    HE1  HIS  63           HE1      HIS  63   9.897  18.387  14.388
  465    HE2  HIS  63           HE2      HIS  63  11.802  20.003  13.933
  466    H    HIS  64           HN       HIS  64  10.333  16.244   8.544
  467    HA   HIS  64           HA       HIS  64  11.363  18.481   7.299
  468    HB2  HIS  64           HB2      HIS  64   8.438  17.807   7.695
  469    HB3  HIS  64           HB1      HIS  64   9.085  18.901   6.472
  470    HD2  HIS  64           HD2      HIS  64   8.462  17.196   4.292
  471    HE1  HIS  64           HE1      HIS  64  10.921  13.987   5.506
  472    HE2  HIS  64           HE2      HIS  64   9.493  14.895   3.613
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  62.126   4.221 -31.418
    2    H2   MET   1           HT2      MET   1  62.339   3.043 -32.625
    3    H3   MET   1           HT3      MET   1  63.668   3.578 -31.710
    4    HA   MET   1           HA       MET   1  61.794   2.689 -29.878
    5    HB2  MET   1           HB2      MET   1  62.209   0.784 -32.203
    6    HB3  MET   1           HB1      MET   1  61.503   0.337 -30.650
    7    HG2  MET   1           HG2      MET   1  59.542   1.483 -31.052
    8    HG3  MET   1           HG1      MET   1  60.332   2.687 -32.071
    9    HE1  MET   1           HE1      MET   1  57.400   0.535 -33.065
   10    HE2  MET   1           HE2      MET   1  57.836   1.588 -34.408
   11    HE3  MET   1           HE3      MET   1  57.967   2.182 -32.755
   12    H    GLU   2           HN       GLU   2  62.768   0.745 -28.709
   13    HA   GLU   2           HA       GLU   2  64.596   0.040 -27.484
   14    HB2  GLU   2           HB2      GLU   2  65.827  -0.282 -30.228
   15    HB3  GLU   2           HB1      GLU   2  66.191  -1.210 -28.772
   16    HG2  GLU   2           HG2      GLU   2  63.416  -1.439 -29.088
   17    HG3  GLU   2           HG1      GLU   2  64.070  -1.609 -30.716
   18    H    GLU   3           HN       GLU   3  64.717   2.524 -27.021
   19    HA   GLU   3           HA       GLU   3  66.700   4.139 -28.161
   20    HB2  GLU   3           HB2      GLU   3  65.047   4.162 -25.760
   21    HB3  GLU   3           HB1      GLU   3  66.644   4.857 -25.477
   22    HG2  GLU   3           HG2      GLU   3  64.888   5.622 -27.822
   23    HG3  GLU   3           HG1      GLU   3  64.910   6.507 -26.297
   24    H    GLY   4           HN       GLY   4  68.791   4.747 -27.307
   25    HA2  GLY   4           HA2      GLY   4  70.338   2.420 -26.511
   26    HA3  GLY   4           HA1      GLY   4  70.975   4.002 -26.950
   27    H    GLY   5           HN       GLY   5  68.588   4.697 -24.859
   28    HA2  GLY   5           HA2      GLY   5  68.431   5.078 -22.579
   29    HA3  GLY   5           HA1      GLY   5  69.831   4.036 -22.346
   30    H    ASP   6           HN       ASP   6  68.705   7.253 -22.524
   31    HA   ASP   6           HA       ASP   6  71.018   8.678 -23.205
   32    HB2  ASP   6           HB2      ASP   6  68.492   9.382 -22.539
   33    HB3  ASP   6           HB1      ASP   6  69.335   9.815 -21.052
   34    H    PHE   7           HN       PHE   7  70.644   6.527 -20.717
   35    HA   PHE   7           HA       PHE   7  73.052   7.503 -19.396
   36    HB2  PHE   7           HB2      PHE   7  71.897   7.145 -17.129
   37    HB3  PHE   7           HB1      PHE   7  71.510   8.627 -18.003
   38    HD1  PHE   7           HD1      PHE   7  70.317   5.186 -17.246
   39    HD2  PHE   7           HD2      PHE   7  69.302   9.058 -18.805
   40    HE1  PHE   7           HE1      PHE   7  67.920   4.550 -17.266
   41    HE2  PHE   7           HE2      PHE   7  66.905   8.422 -18.825
   42    HZ   PHE   7           HZ       PHE   7  66.215   6.168 -18.056
   43    H    ASP   8           HN       ASP   8  72.237   5.198 -21.047
   44    HA   ASP   8           HA       ASP   8  71.799   2.850 -19.644
   45    HB2  ASP   8           HB2      ASP   8  73.095   1.740 -21.491
   46    HB3  ASP   8           HB1      ASP   8  71.823   2.826 -22.046
   47    H    ASN   9           HN       ASN   9  72.821   2.600 -17.704
   48    HA   ASN   9           HA       ASN   9  75.640   1.892 -17.805
   49    HB2  ASN   9           HB2      ASN   9  74.600   4.247 -16.240
   50    HB3  ASN   9           HB1      ASN   9  76.057   3.383 -15.752
   51   HD21  ASN   9          HD21      ASN   9  74.975   5.950 -17.662
   52   HD22  ASN   9          HD22      ASN   9  76.318   6.080 -18.691
   53    H    TYR  10           HN       TYR  10  72.749   2.393 -15.812
   54    HA   TYR  10           HA       TYR  10  73.607   0.199 -14.044
   55    HB2  TYR  10           HB2      TYR  10  71.383   2.232 -13.738
   56    HB3  TYR  10           HB1      TYR  10  71.788   0.984 -12.560
   57    HD1  TYR  10           HD1      TYR  10  73.967   1.032 -11.371
   58    HD2  TYR  10           HD2      TYR  10  72.755   4.199 -14.008
   59    HE1  TYR  10           HE1      TYR  10  75.719   2.502 -10.412
   60    HE2  TYR  10           HE2      TYR  10  74.507   5.668 -13.050
   61    HH   TYR  10           HH       TYR  10  75.949   5.908 -11.302
   62    H    TYR  11           HN       TYR  11  71.148   1.150 -16.350
   63    HA   TYR  11           HA       TYR  11  69.605  -0.115 -17.500
   64    HB2  TYR  11           HB2      TYR  11  71.592  -1.917 -16.944
   65    HB3  TYR  11           HB1      TYR  11  70.195  -2.673 -16.176
   66    HD1  TYR  11           HD2      TYR  11  71.280  -1.053 -19.371
   67    HD2  TYR  11           HD1      TYR  11  68.617  -3.837 -17.472
   68    HE1  TYR  11           HE2      TYR  11  70.443  -1.768 -21.594
   69    HE2  TYR  11           HE1      TYR  11  67.781  -4.553 -19.693
   70    HH   TYR  11           HH       TYR  11  68.688  -2.866 -22.629
   71    H    GLY  12           HN       GLY  12  69.904  -1.757 -14.341
   72    HA2  GLY  12           HA2      GLY  12  67.051  -1.901 -14.018
   73    HA3  GLY  12           HA1      GLY  12  68.261  -2.375 -12.832
   74    H    ALA  13           HN       ALA  13  68.228   0.795 -14.308
   75    HA   ALA  13           HA       ALA  13  68.313   2.162 -11.846
   76    HB1  ALA  13           HB1      ALA  13  68.549   4.042 -13.105
   77    HB2  ALA  13           HB2      ALA  13  67.214   3.619 -14.178
   78    HB3  ALA  13           HB3      ALA  13  68.798   2.877 -14.407
   79    H    ASP  14           HN       ASP  14  66.378   4.257 -12.430
   80    HA   ASP  14           HA       ASP  14  64.291   4.826 -11.631
   81    HB2  ASP  14           HB2      ASP  14  63.964   3.631 -13.952
   82    HB3  ASP  14           HB1      ASP  14  63.211   2.376 -12.970
   83    H    ASN  15           HN       ASN  15  65.932   2.514 -10.290
   84    HA   ASN  15           HA       ASN  15  63.752   1.261  -8.771
   85    HB2  ASN  15           HB2      ASN  15  65.822   0.012  -9.765
   86    HB3  ASN  15           HB1      ASN  15  66.669   0.671  -8.367
   87   HD21  ASN  15          HD21      ASN  15  66.715  -0.852  -6.716
   88   HD22  ASN  15          HD22      ASN  15  65.440  -1.901  -6.321
   89    H    GLN  16           HN       GLN  16  66.136   3.728  -8.584
   90    HA   GLN  16           HA       GLN  16  65.773   3.956  -5.666
   91    HB2  GLN  16           HB2      GLN  16  67.801   5.646  -6.963
   92    HB3  GLN  16           HB1      GLN  16  67.919   4.669  -5.501
   93    HG2  GLN  16           HG2      GLN  16  69.378   3.612  -7.041
   94    HG3  GLN  16           HG1      GLN  16  67.916   2.630  -7.074
   95   HE21  GLN  16          HE21      GLN  16  69.607   2.548  -9.311
   96   HE22  GLN  16          HE22      GLN  16  68.873   3.358 -10.609
   97    H    SER  17           HN       SER  17  63.811   4.786  -7.604
   98    HA   SER  17           HA       SER  17  63.610   7.601  -6.809
   99    HB2  SER  17           HB2      SER  17  64.565   7.129  -9.269
  100    HB3  SER  17           HB1      SER  17  62.843   6.999  -9.619
  101    HG   SER  17           HG       SER  17  63.155   9.080  -8.037
  102    H    GLU  18           HN       GLU  18  61.375   8.464  -7.481
  103    HA   GLU  18           HA       GLU  18  59.386   6.909  -6.265
  104    HB2  GLU  18           HB2      GLU  18  59.039   9.181  -8.238
  105    HB3  GLU  18           HB1      GLU  18  57.806   8.574  -7.131
  106    HG2  GLU  18           HG2      GLU  18  58.644   9.774  -5.420
  107    HG3  GLU  18           HG1      GLU  18  60.271   9.164  -5.716
  108    H    CYS  19           HN       CYS  19  59.718   4.840  -7.370
  109    HA   CYS  19           HA       CYS  19  59.392   4.268 -10.036
  110    HB2  CYS  19           HB2      CYS  19  58.342   2.095  -9.235
  111    HB3  CYS  19           HB1      CYS  19  59.918   2.484  -8.547
  112    HG   CYS  19           HG       CYS  19  58.613   3.392  -6.397
  113    H    GLU  20           HN       GLU  20  56.728   4.176  -7.656
  114    HA   GLU  20           HA       GLU  20  54.914   5.189  -9.746
  115    HB2  GLU  20           HB2      GLU  20  53.833   3.107  -7.926
  116    HB3  GLU  20           HB1      GLU  20  53.459   3.433  -9.619
  117    HG2  GLU  20           HG2      GLU  20  55.733   2.529 -10.217
  118    HG3  GLU  20           HG1      GLU  20  55.924   2.046  -8.534
  119    H    TYR  21           HN       TYR  21  56.225   5.710  -6.835
  120    HA   TYR  21           HA       TYR  21  53.861   6.433  -5.329
  121    HB2  TYR  21           HB2      TYR  21  56.824   6.733  -4.868
  122    HB3  TYR  21           HB1      TYR  21  55.640   7.481  -3.796
  123    HD1  TYR  21           HD2      TYR  21  57.008   4.291  -5.039
  124    HD2  TYR  21           HD1      TYR  21  54.179   6.134  -2.384
  125    HE1  TYR  21           HE2      TYR  21  56.681   2.122  -3.883
  126    HE2  TYR  21           HE1      TYR  21  53.853   3.965  -1.228
  127    HH   TYR  21           HH       TYR  21  55.182   1.842  -0.895
  128    H    THR  22           HN       THR  22  53.349   7.753  -7.475
  129    HA   THR  22           HA       THR  22  53.382  10.489  -6.746
  130    HB   THR  22           HB       THR  22  55.696  10.492  -7.429
  131    HG1  THR  22           HG1      THR  22  55.075  11.600  -9.700
  132   HG21  THR  22          HG21      THR  22  54.750   9.324 -10.059
  133   HG22  THR  22          HG22      THR  22  55.550   8.399  -8.789
  134   HG23  THR  22          HG23      THR  22  56.415   9.698  -9.612
  135    H    ASP  23           HN       ASP  23  53.120   8.111  -9.342
  136    HA   ASP  23           HA       ASP  23  51.349   9.723 -10.942
  137    HB2  ASP  23           HB2      ASP  23  52.007   6.770 -11.046
  138    HB3  ASP  23           HB1      ASP  23  51.057   7.634 -12.253
  139    H    TRP  24           HN       TRP  24  50.086  10.030  -8.745
  140    HA   TRP  24           HA       TRP  24  47.562   8.793  -9.083
  141    HB2  TRP  24           HB2      TRP  24  47.468   7.538  -6.945
  142    HB3  TRP  24           HB1      TRP  24  48.624   6.843  -8.080
  143    HD1  TRP  24           HD1      TRP  24  51.153   6.899  -7.457
  144    HE1  TRP  24           HE1      TRP  24  52.440   7.557  -5.321
  145    HE3  TRP  24           HE3      TRP  24  47.424   9.236  -4.866
  146    HZ2  TRP  24           HZ2      TRP  24  51.951   8.898  -2.842
  147    HZ3  TRP  24           HZ3      TRP  24  47.862  10.193  -2.622
  148    HH2  TRP  24           HH2      TRP  24  50.118  10.027  -1.608
  149    H    LYS  25           HN       LYS  25  49.802  10.624  -7.121
  150    HA   LYS  25           HA       LYS  25  48.367  11.684  -5.091
  151    HB2  LYS  25           HB2      LYS  25  50.008  13.351  -7.012
  152    HB3  LYS  25           HB1      LYS  25  49.642  13.737  -5.330
  153    HG2  LYS  25           HG2      LYS  25  50.749  11.095  -5.431
  154    HG3  LYS  25           HG1      LYS  25  51.807  12.180  -6.334
  155    HD2  LYS  25           HD2      LYS  25  51.797  13.750  -4.398
  156    HD3  LYS  25           HD1      LYS  25  50.831  12.585  -3.492
  157    HE2  LYS  25           HE2      LYS  25  52.655  10.889  -3.869
  158    HE3  LYS  25           HE1      LYS  25  53.635  12.181  -4.564
  159    HZ1  LYS  25           HZ1      LYS  25  54.295  12.359  -2.425
  160    HZ2  LYS  25           HZ2      LYS  25  52.851  11.723  -1.794
  161    HZ3  LYS  25           HZ3      LYS  25  52.916  13.340  -2.312
  162    H    SER  26           HN       SER  26  46.149  11.751  -5.479
  163    HA   SER  26           HA       SER  26  44.216  12.967  -5.850
  164    HB2  SER  26           HB2      SER  26  45.541  14.912  -7.671
  165    HB3  SER  26           HB1      SER  26  44.329  15.183  -6.423
  166    HG   SER  26           HG       SER  26  46.979  15.433  -6.268
  167    H    SER  27           HN       SER  27  43.165  11.459  -7.052
  168    HA   SER  27           HA       SER  27  43.824  11.145  -9.885
  169    HB2  SER  27           HB2      SER  27  43.376   9.161  -8.411
  170    HB3  SER  27           HB1      SER  27  41.711   9.714  -8.261
  171    HG   SER  27           HG       SER  27  41.614   8.421  -9.983
  172    H    GLY  28           HN       GLY  28  42.824  13.675  -9.257
  173    HA2  GLY  28           HA2      GLY  28  41.055  14.318 -11.164
  174    HA3  GLY  28           HA1      GLY  28  39.984  13.722  -9.899
  175    H    ALA  29           HN       ALA  29  42.017  14.726  -7.868
  176    HA   ALA  29           HA       ALA  29  42.540  16.672  -6.730
  177    HB1  ALA  29           HB1      ALA  29  42.760  18.648  -7.870
  178    HB2  ALA  29           HB2      ALA  29  41.241  18.438  -8.741
  179    HB3  ALA  29           HB3      ALA  29  42.679  17.553  -9.251
  180    H    LEU  30           HN       LEU  30  40.224  15.202  -6.223
  181    HA   LEU  30           HA       LEU  30  38.446  17.339  -5.245
  182    HB2  LEU  30           HB2      LEU  30  36.470  16.037  -5.829
  183    HB3  LEU  30           HB1      LEU  30  37.428  16.345  -7.278
  184    HG   LEU  30           HG       LEU  30  38.489  13.974  -6.262
  185   HD11  LEU  30          HD11      LEU  30  36.428  13.943  -4.768
  186   HD12  LEU  30          HD12      LEU  30  36.633  12.526  -5.797
  187   HD13  LEU  30          HD13      LEU  30  35.468  13.774  -6.238
  188   HD21  LEU  30          HD21      LEU  30  38.126  14.510  -8.629
  189   HD22  LEU  30          HD22      LEU  30  36.380  14.421  -8.399
  190   HD23  LEU  30          HD23      LEU  30  37.366  12.967  -8.242
  191    H    ILE  31           HN       ILE  31  40.453  14.907  -4.468
  192    HA   ILE  31           HA       ILE  31  38.882  13.561  -2.459
  193    HB   ILE  31           HB       ILE  31  41.828  13.431  -2.269
  194   HG12  ILE  31          HG12      ILE  31  40.291  12.714  -4.771
  195   HG13  ILE  31          HG11      ILE  31  41.811  13.599  -4.636
  196   HG21  ILE  31          HG21      ILE  31  39.850  11.201  -2.731
  197   HG22  ILE  31          HG22      ILE  31  39.997  11.971  -1.150
  198   HG23  ILE  31          HG23      ILE  31  41.385  11.150  -1.863
  199   HD11  ILE  31          HD11      ILE  31  42.741  11.412  -3.591
  200   HD12  ILE  31          HD12      ILE  31  42.494  11.457  -5.337
  201   HD13  ILE  31          HD13      ILE  31  41.320  10.645  -4.301
  202    HA   PRO  32           HA       PRO  32  41.721  16.429   0.328
  203    HB2  PRO  32           HB2      PRO  32  41.646  18.883  -1.332
  204    HB3  PRO  32           HB1      PRO  32  42.996  18.174  -0.428
  205    HG2  PRO  32           HG2      PRO  32  42.878  18.082  -3.095
  206    HG3  PRO  32           HG1      PRO  32  43.579  16.766  -2.137
  207    HD2  PRO  32           HD2      PRO  32  40.914  16.896  -3.497
  208    HD3  PRO  32           HD1      PRO  32  42.008  15.511  -3.290
  209    H    ALA  33           HN       ALA  33  38.844  16.823  -1.358
  210    HA   ALA  33           HA       ALA  33  37.798  18.889   0.454
  211    HB1  ALA  33           HB1      ALA  33  37.312  19.241  -1.900
  212    HB2  ALA  33           HB2      ALA  33  35.815  18.844  -1.056
  213    HB3  ALA  33           HB3      ALA  33  36.628  17.621  -2.033
  214    H    ILE  34           HN       ILE  34  36.096  16.146  -0.996
  215    HA   ILE  34           HA       ILE  34  34.318  15.612   0.988
  216    HB   ILE  34           HB       ILE  34  34.854  13.074   0.247
  217   HG12  ILE  34          HG12      ILE  34  35.777  14.663  -2.143
  218   HG13  ILE  34          HG11      ILE  34  36.940  14.091  -0.947
  219   HG21  ILE  34          HG21      ILE  34  32.755  14.154  -0.213
  220   HG22  ILE  34          HG22      ILE  34  33.379  13.575  -1.757
  221   HG23  ILE  34          HG23      ILE  34  33.514  15.283  -1.335
  222   HD11  ILE  34          HD11      ILE  34  36.212  11.787  -1.279
  223   HD12  ILE  34          HD12      ILE  34  36.645  12.489  -2.838
  224   HD13  ILE  34          HD13      ILE  34  34.948  12.317  -2.389
  225    H    TYR  35           HN       TYR  35  37.730  14.788   0.956
  226    HA   TYR  35           HA       TYR  35  37.607  13.104   3.289
  227    HB2  TYR  35           HB2      TYR  35  39.373  12.825   1.599
  228    HB3  TYR  35           HB1      TYR  35  39.977  14.443   1.962
  229    HD1  TYR  35           HD1      TYR  35  41.107  14.929   4.077
  230    HD2  TYR  35           HD2      TYR  35  39.654  10.987   3.185
  231    HE1  TYR  35           HE1      TYR  35  42.448  14.011   5.950
  232    HE2  TYR  35           HE2      TYR  35  40.995  10.069   5.058
  233    HH   TYR  35           HH       TYR  35  42.791  12.197   7.247
  234    H    MET  36           HN       MET  36  38.853  16.387   2.648
  235    HA   MET  36           HA       MET  36  39.510  16.978   5.333
  236    HB2  MET  36           HB2      MET  36  40.384  18.260   3.418
  237    HB3  MET  36           HB1      MET  36  38.763  18.877   3.095
  238    HG2  MET  36           HG2      MET  36  38.710  20.123   5.104
  239    HG3  MET  36           HG1      MET  36  40.059  19.223   5.797
  240    HE1  MET  36           HE1      MET  36  39.096  21.192   2.580
  241    HE2  MET  36           HE2      MET  36  40.109  22.622   2.751
  242    HE3  MET  36           HE3      MET  36  38.886  22.267   3.968
  243    H    LEU  37           HN       LEU  37  36.507  16.970   3.604
  244    HA   LEU  37           HA       LEU  37  35.095  18.700   5.421
  245    HB2  LEU  37           HB2      LEU  37  34.297  16.879   3.167
  246    HB3  LEU  37           HB1      LEU  37  33.074  17.576   4.231
  247    HG   LEU  37           HG       LEU  37  35.165  19.390   3.093
  248   HD11  LEU  37          HD11      LEU  37  32.923  18.074   1.580
  249   HD12  LEU  37          HD12      LEU  37  34.571  18.413   1.050
  250   HD13  LEU  37          HD13      LEU  37  33.400  19.726   1.184
  251   HD21  LEU  37          HD21      LEU  37  33.157  19.858   4.775
  252   HD22  LEU  37          HD22      LEU  37  32.227  19.950   3.279
  253   HD23  LEU  37          HD23      LEU  37  33.591  21.038   3.538
  254    H    VAL  38           HN       VAL  38  36.233  15.547   5.626
  255    HA   VAL  38           HA       VAL  38  34.074  14.615   7.373
  256    HB   VAL  38           HB       VAL  38  36.577  13.248   6.359
  257   HG11  VAL  38          HG11      VAL  38  35.049  11.237   7.251
  258   HG12  VAL  38          HG12      VAL  38  34.496  12.489   8.362
  259   HG13  VAL  38          HG13      VAL  38  36.205  12.058   8.300
  260   HG21  VAL  38          HG21      VAL  38  33.889  12.226   5.696
  261   HG22  VAL  38          HG22      VAL  38  35.296  12.446   4.655
  262   HG23  VAL  38          HG23      VAL  38  34.246  13.815   5.018
  263    H    PHE  39           HN       PHE  39  36.913  16.365   7.624
  264    HA   PHE  39           HA       PHE  39  38.031  15.329  10.017
  265    HB2  PHE  39           HB2      PHE  39  39.494  16.751   8.924
  266    HB3  PHE  39           HB1      PHE  39  38.229  17.911   8.519
  267    HD1  PHE  39           HD1      PHE  39  40.415  16.647  11.229
  268    HD2  PHE  39           HD2      PHE  39  37.569  19.644  10.062
  269    HE1  PHE  39           HE1      PHE  39  40.983  17.973  13.246
  270    HE2  PHE  39           HE2      PHE  39  38.137  20.970  12.080
  271    HZ   PHE  39           HZ       PHE  39  39.845  20.134  13.672
  272    H    LEU  40           HN       LEU  40  35.437  17.596   9.347
  273    HA   LEU  40           HA       LEU  40  35.091  18.089  12.231
  274    HB2  LEU  40           HB2      LEU  40  33.499  19.865  11.465
  275    HB3  LEU  40           HB1      LEU  40  35.154  20.108  10.904
  276    HG   LEU  40           HG       LEU  40  33.659  18.451   9.046
  277   HD11  LEU  40          HD11      LEU  40  32.563  21.198   9.712
  278   HD12  LEU  40          HD12      LEU  40  31.700  19.664   9.814
  279   HD13  LEU  40          HD13      LEU  40  32.172  20.307   8.242
  280   HD21  LEU  40          HD21      LEU  40  34.479  20.170   7.464
  281   HD22  LEU  40          HD22      LEU  40  35.765  19.634   8.544
  282   HD23  LEU  40          HD23      LEU  40  34.967  21.181   8.823
  283    H    LEU  41           HN       LEU  41  34.022  16.030   9.855
  284    HA   LEU  41           HA       LEU  41  31.550  15.464  11.361
  285    HB2  LEU  41           HB2      LEU  41  31.848  15.779   8.377
  286    HB3  LEU  41           HB1      LEU  41  30.523  14.860   9.093
  287    HG   LEU  41           HG       LEU  41  30.962  17.496  10.334
  288   HD11  LEU  41          HD11      LEU  41  29.996  17.280   7.465
  289   HD12  LEU  41          HD12      LEU  41  31.482  18.068   7.995
  290   HD13  LEU  41          HD13      LEU  41  29.916  18.733   8.462
  291   HD21  LEU  41          HD21      LEU  41  28.477  16.326   9.062
  292   HD22  LEU  41          HD22      LEU  41  28.574  17.508  10.367
  293   HD23  LEU  41          HD23      LEU  41  29.036  15.832  10.660
  294    H    GLY  42           HN       GLY  42  33.248  13.920  12.248
  295    HA2  GLY  42           HA2      GLY  42  32.728  11.319  11.666
  296    HA3  GLY  42           HA1      GLY  42  34.031  11.714  10.549
  297    H    THR  43           HN       THR  43  34.963  13.723  12.681
  298    HA   THR  43           HA       THR  43  36.249  11.780  14.502
  299    HB   THR  43           HB       THR  43  37.445  13.986  12.858
  300    HG1  THR  43           HG1      THR  43  38.312  12.287  12.028
  301   HG21  THR  43          HG21      THR  43  39.491  13.628  14.416
  302   HG22  THR  43          HG22      THR  43  38.306  13.053  15.589
  303   HG23  THR  43          HG23      THR  43  38.203  14.700  14.966
  304    H    THR  44           HN       THR  44  35.122  15.087  13.980
  305    HA   THR  44           HA       THR  44  35.727  16.261  16.406
  306    HB   THR  44           HB       THR  44  34.439  17.158  14.285
  307    HG1  THR  44           HG1      THR  44  33.621  18.106  16.810
  308   HG21  THR  44          HG21      THR  44  32.093  17.233  14.456
  309   HG22  THR  44          HG22      THR  44  32.110  16.773  16.158
  310   HG23  THR  44          HG23      THR  44  32.482  15.576  14.916
  311    H    GLY  45           HN       GLY  45  33.829  13.532  15.879
  312    HA2  GLY  45           HA2      GLY  45  31.715  13.514  17.560
  313    HA3  GLY  45           HA1      GLY  45  32.817  12.145  17.444
  314    H    ASN  46           HN       ASN  46  34.352  11.804  19.052
  315    HA   ASN  46           HA       ASN  46  34.699  13.727  21.188
  316    HB2  ASN  46           HB2      ASN  46  32.530  12.295  21.570
  317    HB3  ASN  46           HB1      ASN  46  33.676  11.049  22.055
  318   HD21  ASN  46          HD21      ASN  46  33.425  14.619  22.590
  319   HD22  ASN  46          HD22      ASN  46  33.688  14.525  24.265
  320    H    GLY  47           HN       GLY  47  35.336  11.266  22.919
  321    HA2  GLY  47           HA2      GLY  47  37.163   9.950  23.409
  322    HA3  GLY  47           HA1      GLY  47  37.477   9.867  21.679
  323    H    LEU  48           HN       LEU  48  37.326  13.041  22.142
  324    HA   LEU  48           HA       LEU  48  40.230  13.299  22.343
  325    HB2  LEU  48           HB2      LEU  48  37.992  15.047  21.395
  326    HB3  LEU  48           HB1      LEU  48  39.513  15.796  21.885
  327    HG   LEU  48           HG       LEU  48  39.647  13.423  20.073
  328   HD11  LEU  48          HD11      LEU  48  38.771  16.205  19.254
  329   HD12  LEU  48          HD12      LEU  48  37.927  14.685  18.961
  330   HD13  LEU  48          HD13      LEU  48  39.439  15.030  18.121
  331   HD21  LEU  48          HD21      LEU  48  41.159  16.053  20.210
  332   HD22  LEU  48          HD22      LEU  48  41.590  14.659  19.220
  333   HD23  LEU  48          HD23      LEU  48  41.673  14.552  20.979
  334    H    VAL  49           HN       VAL  49  37.728  13.224  24.477
  335    HA   VAL  49           HA       VAL  49  38.802  15.329  26.227
  336    HB   VAL  49           HB       VAL  49  36.276  13.672  26.378
  337   HG11  VAL  49          HG11      VAL  49  37.610  15.526  28.322
  338   HG12  VAL  49          HG12      VAL  49  36.725  14.032  28.632
  339   HG13  VAL  49          HG13      VAL  49  35.849  15.509  28.231
  340   HG21  VAL  49          HG21      VAL  49  36.905  15.982  24.934
  341   HG22  VAL  49          HG22      VAL  49  36.064  16.581  26.364
  342   HG23  VAL  49          HG23      VAL  49  35.283  15.400  25.312
  343    H    LEU  50           HN       LEU  50  39.325  12.132  25.611
  344    HA   LEU  50           HA       LEU  50  40.364  11.698  28.333
  345    HB2  LEU  50           HB2      LEU  50  39.654   9.222  27.933
  346    HB3  LEU  50           HB1      LEU  50  38.442  10.379  28.483
  347    HG   LEU  50           HG       LEU  50  38.799  10.179  25.545
  348   HD11  LEU  50          HD11      LEU  50  37.367   8.144  25.444
  349   HD12  LEU  50          HD12      LEU  50  37.523   7.974  27.192
  350   HD13  LEU  50          HD13      LEU  50  38.945   7.814  26.159
  351   HD21  LEU  50          HD21      LEU  50  36.499  10.686  25.539
  352   HD22  LEU  50          HD22      LEU  50  37.088  11.546  26.961
  353   HD23  LEU  50          HD23      LEU  50  36.251  10.005  27.147
  354    H    TRP  51           HN       TRP  51  41.064  12.012  25.183
  355    HA   TRP  51           HA       TRP  51  43.096   9.880  25.117
  356    HB2  TRP  51           HB2      TRP  51  41.864   9.863  23.106
  357    HB3  TRP  51           HB1      TRP  51  41.855  11.623  22.995
  358    HD1  TRP  51           HD1      TRP  51  44.990   9.561  23.769
  359    HE1  TRP  51           HE1      TRP  51  46.697   9.914  21.869
  360    HE3  TRP  51           HE3      TRP  51  42.147  12.298  20.527
  361    HZ2  TRP  51           HZ2      TRP  51  46.837  11.189  19.312
  362    HZ3  TRP  51           HZ3      TRP  51  43.092  13.067  18.369
  363    HH2  TRP  51           HH2      TRP  51  45.431  12.516  17.759
  364    H    THR  52           HN       THR  52  43.135  13.099  23.638
  365    HA   THR  52           HA       THR  52  45.898  13.487  24.194
  366    HB   THR  52           HB       THR  52  44.855  14.572  22.284
  367    HG1  THR  52           HG1      THR  52  45.580  16.697  22.725
  368   HG21  THR  52          HG21      THR  52  42.612  14.828  23.424
  369   HG22  THR  52          HG22      THR  52  43.140  16.244  22.516
  370   HG23  THR  52          HG23      THR  52  43.280  16.221  24.275
  371    H    VAL  53           HN       VAL  53  42.923  14.472  25.791
  372    HA   VAL  53           HA       VAL  53  44.127  16.323  27.598
  373    HB   VAL  53           HB       VAL  53  41.519  14.795  27.726
  374   HG11  VAL  53          HG11      VAL  53  40.969  16.657  29.409
  375   HG12  VAL  53          HG12      VAL  53  42.709  16.928  29.507
  376   HG13  VAL  53          HG13      VAL  53  42.031  15.370  29.978
  377   HG21  VAL  53          HG21      VAL  53  42.290  17.610  26.903
  378   HG22  VAL  53          HG22      VAL  53  40.624  17.099  27.178
  379   HG23  VAL  53          HG23      VAL  53  41.570  16.360  25.887
  380    H    PHE  54           HN       PHE  54  43.568  12.859  27.632
  381    HA   PHE  54           HA       PHE  54  44.179  12.510  30.417
  382    HB2  PHE  54           HB2      PHE  54  42.793  10.908  29.110
  383    HB3  PHE  54           HB1      PHE  54  44.228  10.465  28.186
  384    HD1  PHE  54           HD2      PHE  54  42.958  10.716  31.700
  385    HD2  PHE  54           HD1      PHE  54  45.670   8.791  28.981
  386    HE1  PHE  54           HE2      PHE  54  43.619   9.126  33.484
  387    HE2  PHE  54           HE1      PHE  54  46.329   7.200  30.765
  388    HZ   PHE  54           HZ       PHE  54  45.303   7.367  33.017
  389    H    ARG  55           HN       ARG  55  46.118  13.920  28.545
  390    HA   ARG  55           HA       ARG  55  48.511  12.769  29.669
  391    HB2  ARG  55           HB2      ARG  55  49.613  12.424  27.446
  392    HB3  ARG  55           HB1      ARG  55  48.311  11.280  27.775
  393    HG2  ARG  55           HG2      ARG  55  46.758  12.772  26.483
  394    HG3  ARG  55           HG1      ARG  55  48.150  13.762  26.044
  395    HD2  ARG  55           HD2      ARG  55  48.868  11.076  25.504
  396    HD3  ARG  55           HD1      ARG  55  47.246  11.300  24.856
  397    HE   ARG  55           HE       ARG  55  48.562  13.504  23.965
  398   HH11  ARG  55          HH21      ARG  55  49.237  10.110  23.941
  399   HH12  ARG  55          HH22      ARG  55  50.141  10.160  22.465
  400   HH21  ARG  55          HH11      ARG  55  49.746  13.578  22.028
  401   HH22  ARG  55          HH12      ARG  55  50.430  12.124  21.381
  402    H    LYS  56           HN       LYS  56  46.723  15.256  28.273
  403    HA   LYS  56           HA       LYS  56  48.736  16.995  27.329
  404    HB2  LYS  56           HB2      LYS  56  46.220  17.203  27.003
  405    HB3  LYS  56           HB1      LYS  56  46.157  17.860  28.638
  406    HG2  LYS  56           HG2      LYS  56  46.479  19.843  27.547
  407    HG3  LYS  56           HG1      LYS  56  48.172  19.352  27.622
  408    HD2  LYS  56           HD2      LYS  56  47.947  18.290  25.392
  409    HD3  LYS  56           HD1      LYS  56  46.275  18.843  25.312
  410    HE2  LYS  56           HE2      LYS  56  47.058  20.748  24.394
  411    HE3  LYS  56           HE1      LYS  56  47.728  21.136  25.979
  412    HZ1  LYS  56           HZ1      LYS  56  49.690  21.075  24.958
  413    HZ2  LYS  56           HZ2      LYS  56  49.065  20.294  23.584
  414    HZ3  LYS  56           HZ3      LYS  56  49.523  19.387  24.947
  415    H    LYS  57           HN       LYS  57  47.422  16.392  30.541
  416    HA   LYS  57           HA       LYS  57  48.451  18.583  31.924
  417    HB2  LYS  57           HB2      LYS  57  48.261  17.235  33.921
  418    HB3  LYS  57           HB1      LYS  57  46.902  16.855  32.862
  419    HG2  LYS  57           HG2      LYS  57  47.523  14.691  33.123
  420    HG3  LYS  57           HG1      LYS  57  48.836  15.075  32.011
  421    HD2  LYS  57           HD2      LYS  57  49.905  14.113  33.903
  422    HD3  LYS  57           HD1      LYS  57  50.146  15.850  34.083
  423    HE2  LYS  57           HE2      LYS  57  47.711  15.447  35.332
  424    HE3  LYS  57           HE1      LYS  57  48.617  13.996  35.766
  425    HZ1  LYS  57           HZ1      LYS  57  50.336  15.280  36.691
  426    HZ2  LYS  57           HZ2      LYS  57  48.897  15.969  37.275
  427    HZ3  LYS  57           HZ3      LYS  57  49.751  16.721  36.013
  428    H    GLY  58           HN       GLY  58  50.154  16.303  30.189
  429    HA2  GLY  58           HA2      GLY  58  52.515  16.471  29.877
  430    HA3  GLY  58           HA1      GLY  58  52.661  17.072  31.526
  431    H    HIS  59           HN       HIS  59  51.061  14.199  30.150
  432    HA   HIS  59           HA       HIS  59  51.187  11.977  30.709
  433    HB2  HIS  59           HB2      HIS  59  54.027  12.912  30.962
  434    HB3  HIS  59           HB1      HIS  59  53.601  11.263  31.421
  435    HD2  HIS  59           HD2      HIS  59  51.739  12.835  28.358
  436    HE1  HIS  59           HE1      HIS  59  54.464   9.968  26.882
  437    HE2  HIS  59           HE2      HIS  59  52.548  11.514  26.256
  438    H    HIS  60           HN       HIS  60  53.601  13.065  33.056
  439    HA   HIS  60           HA       HIS  60  51.891  11.992  35.204
  440    HB2  HIS  60           HB2      HIS  60  54.866  12.507  35.054
  441    HB3  HIS  60           HB1      HIS  60  54.032  12.030  36.532
  442    HD2  HIS  60           HD2      HIS  60  52.538   9.443  36.127
  443    HE1  HIS  60           HE1      HIS  60  55.320   8.141  33.230
  444    HE2  HIS  60           HE2      HIS  60  53.433   7.404  34.762
  445    H    HIS  61           HN       HIS  61  54.510  14.124  35.930
  446    HA   HIS  61           HA       HIS  61  52.805  16.469  36.210
  447    HB2  HIS  61           HB2      HIS  61  53.398  14.699  38.434
  448    HB3  HIS  61           HB1      HIS  61  54.019  16.325  38.720
  449    HD2  HIS  61           HD2      HIS  61  51.679  18.196  37.550
  450    HE1  HIS  61           HE1      HIS  61  48.981  15.828  39.773
  451    HE2  HIS  61           HE2      HIS  61  49.274  18.037  38.555
  452    H    HIS  62           HN       HIS  62  53.946  18.335  36.070
  453    HA   HIS  62           HA       HIS  62  56.798  18.110  35.520
  454    HB2  HIS  62           HB2      HIS  62  54.876  20.442  35.359
  455    HB3  HIS  62           HB1      HIS  62  56.579  20.524  34.912
  456    HD2  HIS  62           HD2      HIS  62  53.965  20.666  32.672
  457    HE1  HIS  62           HE1      HIS  62  55.712  17.071  31.315
  458    HE2  HIS  62           HE2      HIS  62  54.113  18.948  30.711
  459    H    HIS  63           HN       HIS  63  57.841  20.463  36.319
  460    HA   HIS  63           HA       HIS  63  57.249  21.205  39.000
  461    HB2  HIS  63           HB2      HIS  63  59.411  20.258  39.967
  462    HB3  HIS  63           HB1      HIS  63  58.112  19.098  39.687
  463    HD2  HIS  63           HD2      HIS  63  58.631  17.198  37.652
  464    HE1  HIS  63           HE1      HIS  63  62.530  18.541  36.747
  465    HE2  HIS  63           HE2      HIS  63  60.831  16.699  36.337
  466    H    HIS  64           HN       HIS  64  57.626  22.730  36.793
  467    HA   HIS  64           HA       HIS  64  60.299  23.614  36.389
  468    HB2  HIS  64           HB2      HIS  64  58.501  24.010  34.750
  469    HB3  HIS  64           HB1      HIS  64  57.696  25.081  35.899
  470    HD2  HIS  64           HD2      HIS  64  61.180  25.018  33.968
  471    HE1  HIS  64           HE1      HIS  64  60.197  29.010  34.930
  472    HE2  HIS  64           HE2      HIS  64  61.872  27.525  33.730
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  14.795   8.004  -9.693
    2    H2   MET   1           HT2      MET   1  13.399   7.165 -10.173
    3    H3   MET   1           HT3      MET   1  14.155   6.790  -8.698
    4    HA   MET   1           HA       MET   1  12.219   8.804  -9.290
    5    HB2  MET   1           HB2      MET   1  12.333   6.955  -7.461
    6    HB3  MET   1           HB1      MET   1  13.368   8.092  -6.596
    7    HG2  MET   1           HG2      MET   1  11.397   9.783  -7.243
    8    HG3  MET   1           HG1      MET   1  10.461   8.287  -7.243
    9    HE1  MET   1           HE1      MET   1  10.591   6.912  -3.764
   10    HE2  MET   1           HE2      MET   1  11.375   6.411  -5.259
   11    HE3  MET   1           HE3      MET   1   9.722   7.016  -5.301
   12    H    GLU   2           HN       GLU   2  12.742  10.858  -9.710
   13    HA   GLU   2           HA       GLU   2  14.701  12.200  -7.989
   14    HB2  GLU   2           HB2      GLU   2  14.806  12.263 -11.015
   15    HB3  GLU   2           HB1      GLU   2  15.779  13.269  -9.942
   16    HG2  GLU   2           HG2      GLU   2  16.572  11.076  -8.868
   17    HG3  GLU   2           HG1      GLU   2  15.865  10.267 -10.266
   18    H    GLU   3           HN       GLU   3  12.536  12.943  -7.211
   19    HA   GLU   3           HA       GLU   3  10.762  14.475  -8.737
   20    HB2  GLU   3           HB2      GLU   3  11.462  14.422  -5.814
   21    HB3  GLU   3           HB1      GLU   3  10.320  15.613  -6.440
   22    HG2  GLU   3           HG2      GLU   3   8.928  13.827  -7.373
   23    HG3  GLU   3           HG1      GLU   3  10.086  12.615  -6.829
   24    H    GLY   4           HN       GLY   4  10.929  16.408  -9.672
   25    HA2  GLY   4           HA2      GLY   4  12.765  18.414  -8.565
   26    HA3  GLY   4           HA1      GLY   4  12.991  17.927 -10.242
   27    H    GLY   5           HN       GLY   5  10.381  17.652 -11.097
   28    HA2  GLY   5           HA2      GLY   5   8.366  19.304 -10.624
   29    HA3  GLY   5           HA1      GLY   5   9.553  20.455 -11.228
   30    H    ASP   6           HN       ASP   6   7.025  18.512 -12.112
   31    HA   ASP   6           HA       ASP   6   7.888  17.574 -14.658
   32    HB2  ASP   6           HB2      ASP   6   5.851  16.840 -13.203
   33    HB3  ASP   6           HB1      ASP   6   5.020  18.167 -14.014
   34    H    PHE   7           HN       PHE   7   7.970  20.585 -13.775
   35    HA   PHE   7           HA       PHE   7   7.235  21.588 -16.430
   36    HB2  PHE   7           HB2      PHE   7   5.998  22.413 -13.847
   37    HB3  PHE   7           HB1      PHE   7   6.335  23.671 -15.037
   38    HD1  PHE   7           HD2      PHE   7   4.596  20.421 -14.516
   39    HD2  PHE   7           HD1      PHE   7   5.018  23.892 -17.011
   40    HE1  PHE   7           HE2      PHE   7   2.589  19.738 -15.805
   41    HE2  PHE   7           HE1      PHE   7   3.012  23.210 -18.300
   42    HZ   PHE   7           HZ       PHE   7   1.798  21.133 -17.697
   43    H    ASP   8           HN       ASP   8   9.513  21.224 -14.166
   44    HA   ASP   8           HA       ASP   8  10.696  23.671 -13.660
   45    HB2  ASP   8           HB2      ASP   8  12.778  22.481 -13.396
   46    HB3  ASP   8           HB1      ASP   8  11.476  21.450 -12.802
   47    H    ASN   9           HN       ASN   9  11.602  25.208 -14.872
   48    HA   ASN   9           HA       ASN   9  11.865  24.771 -17.745
   49    HB2  ASN   9           HB2      ASN   9  11.413  27.041 -15.996
   50    HB3  ASN   9           HB1      ASN   9  12.712  27.364 -17.144
   51   HD21  ASN   9          HD21      ASN   9  11.991  26.227 -19.477
   52   HD22  ASN   9          HD22      ASN   9  10.458  26.741 -19.992
   53    H    TYR  10           HN       TYR  10  13.760  23.843 -15.426
   54    HA   TYR  10           HA       TYR  10  16.010  23.423 -15.226
   55    HB2  TYR  10           HB2      TYR  10  16.386  24.539 -17.997
   56    HB3  TYR  10           HB1      TYR  10  17.291  23.255 -17.193
   57    HD1  TYR  10           HD2      TYR  10  16.052  21.085 -16.611
   58    HD2  TYR  10           HD1      TYR  10  14.493  24.034 -19.317
   59    HE1  TYR  10           HE2      TYR  10  14.505  19.396 -17.561
   60    HE2  TYR  10           HE1      TYR  10  12.946  22.345 -20.267
   61    HH   TYR  10           HH       TYR  10  11.890  20.215 -19.557
   62    H    TYR  11           HN       TYR  11  16.048  26.268 -17.373
   63    HA   TYR  11           HA       TYR  11  16.846  28.402 -17.053
   64    HB2  TYR  11           HB2      TYR  11  15.573  27.933 -14.748
   65    HB3  TYR  11           HB1      TYR  11  17.222  28.020 -14.125
   66    HD1  TYR  11           HD1      TYR  11  14.556  29.867 -15.898
   67    HD2  TYR  11           HD2      TYR  11  18.490  30.084 -14.187
   68    HE1  TYR  11           HE1      TYR  11  14.489  32.341 -16.058
   69    HE2  TYR  11           HE2      TYR  11  18.423  32.558 -14.347
   70    HH   TYR  11           HH       TYR  11  17.261  34.284 -15.639
   71    H    GLY  12           HN       GLY  12  18.857  29.351 -17.083
   72    HA2  GLY  12           HA2      GLY  12  21.153  29.280 -17.385
   73    HA3  GLY  12           HA1      GLY  12  21.128  28.822 -15.685
   74    H    ALA  13           HN       ALA  13  19.850  26.940 -18.389
   75    HA   ALA  13           HA       ALA  13  21.268  24.593 -17.532
   76    HB1  ALA  13           HB1      ALA  13  20.092  23.454 -19.243
   77    HB2  ALA  13           HB2      ALA  13  19.847  24.934 -20.170
   78    HB3  ALA  13           HB3      ALA  13  18.970  24.684 -18.660
   79    H    ASP  14           HN       ASP  14  21.380  26.583 -20.494
   80    HA   ASP  14           HA       ASP  14  23.451  25.324 -21.817
   81    HB2  ASP  14           HB2      ASP  14  23.441  27.131 -23.198
   82    HB3  ASP  14           HB1      ASP  14  21.990  27.551 -22.291
   83    H    ASN  15           HN       ASN  15  23.567  27.157 -18.899
   84    HA   ASN  15           HA       ASN  15  26.307  27.928 -18.980
   85    HB2  ASN  15           HB2      ASN  15  24.103  28.087 -17.124
   86    HB3  ASN  15           HB1      ASN  15  25.566  27.566 -16.290
   87   HD21  ASN  15          HD21      ASN  15  24.792  29.948 -18.903
   88   HD22  ASN  15          HD22      ASN  15  25.721  31.197 -18.226
   89    H    GLN  16           HN       GLN  16  24.627  25.221 -17.376
   90    HA   GLN  16           HA       GLN  16  27.222  23.939 -16.876
   91    HB2  GLN  16           HB2      GLN  16  24.613  22.772 -15.989
   92    HB3  GLN  16           HB1      GLN  16  26.191  22.713 -15.203
   93    HG2  GLN  16           HG2      GLN  16  25.962  25.244 -14.886
   94    HG3  GLN  16           HG1      GLN  16  24.271  25.044 -15.343
   95   HE21  GLN  16          HE21      GLN  16  26.395  22.954 -13.311
   96   HE22  GLN  16          HE22      GLN  16  25.382  23.004 -11.950
   97    H    SER  17           HN       SER  17  26.481  24.048 -19.559
   98    HA   SER  17           HA       SER  17  25.367  21.417 -20.216
   99    HB2  SER  17           HB2      SER  17  25.687  23.987 -21.613
  100    HB3  SER  17           HB1      SER  17  26.023  22.573 -22.608
  101    HG   SER  17           HG       SER  17  23.908  22.574 -22.757
  102    H    GLU  18           HN       GLU  18  26.957  19.942 -19.743
  103    HA   GLU  18           HA       GLU  18  29.005  18.869 -19.835
  104    HB2  GLU  18           HB2      GLU  18  27.819  18.803 -22.234
  105    HB3  GLU  18           HB1      GLU  18  29.277  19.687 -22.683
  106    HG2  GLU  18           HG2      GLU  18  29.083  16.948 -21.420
  107    HG3  GLU  18           HG1      GLU  18  29.814  17.379 -22.965
  108    H    CYS  19           HN       CYS  19  29.290  21.475 -18.860
  109    HA   CYS  19           HA       CYS  19  31.483  22.758 -20.264
  110    HB2  CYS  19           HB2      CYS  19  31.432  24.333 -18.333
  111    HB3  CYS  19           HB1      CYS  19  29.867  24.169 -19.130
  112    HG   CYS  19           HG       CYS  19  30.475  22.513 -16.550
  113    H    GLU  20           HN       GLU  20  32.573  20.474 -19.991
  114    HA   GLU  20           HA       GLU  20  34.135  19.129 -18.938
  115    HB2  GLU  20           HB2      GLU  20  35.224  21.803 -18.044
  116    HB3  GLU  20           HB1      GLU  20  36.131  20.317 -18.332
  117    HG2  GLU  20           HG2      GLU  20  35.308  20.415 -20.734
  118    HG3  GLU  20           HG1      GLU  20  34.713  22.036 -20.379
  119    H    TYR  21           HN       TYR  21  31.956  19.041 -17.397
  120    HA   TYR  21           HA       TYR  21  33.086  19.013 -14.690
  121    HB2  TYR  21           HB2      TYR  21  31.380  20.252 -13.700
  122    HB3  TYR  21           HB1      TYR  21  31.654  21.139 -15.200
  123    HD1  TYR  21           HD1      TYR  21  30.213  20.467 -17.252
  124    HD2  TYR  21           HD2      TYR  21  29.244  19.404 -13.204
  125    HE1  TYR  21           HE1      TYR  21  27.860  20.068 -17.920
  126    HE2  TYR  21           HE2      TYR  21  26.888  19.004 -13.874
  127    HH   TYR  21           HH       TYR  21  25.667  18.406 -16.022
  128    H    THR  22           HN       THR  22  32.322  17.041 -16.819
  129    HA   THR  22           HA       THR  22  30.724  15.305 -15.076
  130    HB   THR  22           HB       THR  22  29.063  14.839 -16.627
  131    HG1  THR  22           HG1      THR  22  29.561  14.593 -18.637
  132   HG21  THR  22          HG21      THR  22  28.194  16.956 -17.426
  133   HG22  THR  22          HG22      THR  22  29.797  17.687 -17.349
  134   HG23  THR  22          HG23      THR  22  28.966  17.226 -15.864
  135    H    ASP  23           HN       ASP  23  32.740  15.692 -17.947
  136    HA   ASP  23           HA       ASP  23  33.381  12.825 -17.922
  137    HB2  ASP  23           HB2      ASP  23  34.184  14.983 -19.887
  138    HB3  ASP  23           HB1      ASP  23  34.476  13.255 -20.067
  139    H    TRP  24           HN       TRP  24  34.298  14.590 -15.790
  140    HA   TRP  24           HA       TRP  24  37.027  13.776 -15.701
  141    HB2  TRP  24           HB2      TRP  24  38.193  15.699 -16.137
  142    HB3  TRP  24           HB1      TRP  24  36.822  15.980 -17.209
  143    HD1  TRP  24           HD1      TRP  24  34.660  17.267 -15.849
  144    HE1  TRP  24           HE1      TRP  24  34.833  19.345 -14.332
  145    HE3  TRP  24           HE3      TRP  24  39.619  17.072 -14.647
  146    HZ2  TRP  24           HZ2      TRP  24  36.813  20.739 -12.810
  147    HZ3  TRP  24           HZ3      TRP  24  40.622  18.785 -13.163
  148    HH2  TRP  24           HH2      TRP  24  39.226  20.617 -12.245
  149    H    LYS  25           HN       LYS  25  34.434  15.799 -14.468
  150    HA   LYS  25           HA       LYS  25  33.772  16.322 -12.339
  151    HB2  LYS  25           HB2      LYS  25  34.811  13.659 -12.235
  152    HB3  LYS  25           HB1      LYS  25  35.279  14.498 -10.757
  153    HG2  LYS  25           HG2      LYS  25  33.104  13.482 -10.408
  154    HG3  LYS  25           HG1      LYS  25  32.894  15.230 -10.487
  155    HD2  LYS  25           HD2      LYS  25  32.708  14.338 -13.151
  156    HD3  LYS  25           HD1      LYS  25  31.774  13.180 -12.202
  157    HE2  LYS  25           HE2      LYS  25  31.429  16.187 -12.287
  158    HE3  LYS  25           HE1      LYS  25  30.271  14.959 -12.800
  159    HZ1  LYS  25           HZ1      LYS  25  31.197  14.732 -10.064
  160    HZ2  LYS  25           HZ2      LYS  25  29.631  14.560 -10.702
  161    HZ3  LYS  25           HZ3      LYS  25  30.260  16.108 -10.391
  162    H    SER  26           HN       SER  26  37.063  15.146 -11.649
  163    HA   SER  26           HA       SER  26  38.248  17.711 -11.431
  164    HB2  SER  26           HB2      SER  26  38.390  17.003  -8.719
  165    HB3  SER  26           HB1      SER  26  37.532  18.375  -9.415
  166    HG   SER  26           HG       SER  26  36.493  16.318  -8.190
  167    H    SER  27           HN       SER  27  38.502  14.917  -9.241
  168    HA   SER  27           HA       SER  27  40.155  13.334  -8.982
  169    HB2  SER  27           HB2      SER  27  40.033  13.634 -11.689
  170    HB3  SER  27           HB1      SER  27  41.702  14.100 -11.374
  171    HG   SER  27           HG       SER  27  40.563  11.658 -11.329
  172    H    GLY  28           HN       GLY  28  40.690  16.647  -9.364
  173    HA2  GLY  28           HA2      GLY  28  43.081  16.497  -7.682
  174    HA3  GLY  28           HA1      GLY  28  43.245  17.329  -9.226
  175    H    ALA  29           HN       ALA  29  40.127  17.560  -7.905
  176    HA   ALA  29           HA       ALA  29  40.593  19.874  -6.246
  177    HB1  ALA  29           HB1      ALA  29  40.783  21.106  -8.242
  178    HB2  ALA  29           HB2      ALA  29  39.092  21.306  -7.787
  179    HB3  ALA  29           HB3      ALA  29  39.535  20.159  -9.051
  180    H    LEU  30           HN       LEU  30  39.444  17.723  -5.345
  181    HA   LEU  30           HA       LEU  30  36.824  18.517  -4.618
  182    HB2  LEU  30           HB2      LEU  30  36.355  17.691  -6.936
  183    HB3  LEU  30           HB1      LEU  30  36.956  16.109  -6.449
  184    HG   LEU  30           HG       LEU  30  35.221  16.030  -4.658
  185   HD11  LEU  30          HD11      LEU  30  33.289  17.786  -5.244
  186   HD12  LEU  30          HD12      LEU  30  34.671  18.759  -5.745
  187   HD13  LEU  30          HD13      LEU  30  34.565  18.167  -4.088
  188   HD21  LEU  30          HD21      LEU  30  34.616  16.207  -7.569
  189   HD22  LEU  30          HD22      LEU  30  33.236  16.160  -6.472
  190   HD23  LEU  30          HD23      LEU  30  34.418  14.851  -6.459
  191    H    ILE  31           HN       ILE  31  39.314  16.092  -4.809
  192    HA   ILE  31           HA       ILE  31  38.253  14.341  -2.825
  193    HB   ILE  31           HB       ILE  31  41.187  14.410  -3.164
  194   HG12  ILE  31          HG12      ILE  31  39.264  14.102  -5.476
  195   HG13  ILE  31          HG11      ILE  31  40.759  15.038  -5.409
  196   HG21  ILE  31          HG21      ILE  31  39.649  12.615  -2.093
  197   HG22  ILE  31          HG22      ILE  31  40.925  12.068  -3.179
  198   HG23  ILE  31          HG23      ILE  31  39.260  12.168  -3.754
  199   HD11  ILE  31          HD11      ILE  31  40.388  12.083  -5.730
  200   HD12  ILE  31          HD12      ILE  31  41.855  12.685  -4.956
  201   HD13  ILE  31          HD13      ILE  31  41.460  13.177  -6.603
  202    HA   PRO  32           HA       PRO  32  41.434  16.816  -0.028
  203    HB2  PRO  32           HB2      PRO  32  40.938  19.537  -1.099
  204    HB3  PRO  32           HB1      PRO  32  42.463  18.779  -0.603
  205    HG2  PRO  32           HG2      PRO  32  41.867  19.204  -3.172
  206    HG3  PRO  32           HG1      PRO  32  42.789  17.787  -2.641
  207    HD2  PRO  32           HD2      PRO  32  39.918  17.963  -3.476
  208    HD3  PRO  32           HD1      PRO  32  41.094  16.658  -3.747
  209    H    ALA  33           HN       ALA  33  38.277  17.197  -1.016
  210    HA   ALA  33           HA       ALA  33  37.494  18.794   1.333
  211    HB1  ALA  33           HB1      ALA  33  35.379  19.126   0.242
  212    HB2  ALA  33           HB2      ALA  33  35.755  17.907  -0.976
  213    HB3  ALA  33           HB3      ALA  33  36.640  19.432  -0.951
  214    H    ILE  34           HN       ILE  34  36.325  15.914  -0.433
  215    HA   ILE  34           HA       ILE  34  34.689  14.913   1.602
  216    HB   ILE  34           HB       ILE  34  36.102  13.650  -0.728
  217   HG12  ILE  34          HG12      ILE  34  33.772  13.315  -1.473
  218   HG13  ILE  34          HG11      ILE  34  33.187  14.001   0.043
  219   HG21  ILE  34          HG21      ILE  34  34.663  12.298   1.547
  220   HG22  ILE  34          HG22      ILE  34  36.163  11.823   0.750
  221   HG23  ILE  34          HG23      ILE  34  34.619  11.607  -0.075
  222   HD11  ILE  34          HD11      ILE  34  35.053  15.529  -1.776
  223   HD12  ILE  34          HD12      ILE  34  34.038  16.156  -0.477
  224   HD13  ILE  34          HD13      ILE  34  33.302  15.591  -1.976
  225    H    TYR  35           HN       TYR  35  38.018  13.921   0.767
  226    HA   TYR  35           HA       TYR  35  38.377  12.169   2.935
  227    HB2  TYR  35           HB2      TYR  35  40.183  11.795   1.654
  228    HB3  TYR  35           HB1      TYR  35  40.023  13.362   0.860
  229    HD1  TYR  35           HD2      TYR  35  41.100  15.371   1.795
  230    HD2  TYR  35           HD1      TYR  35  41.605  11.507   3.601
  231    HE1  TYR  35           HE2      TYR  35  43.017  16.236   3.109
  232    HE2  TYR  35           HE1      TYR  35  43.522  12.371   4.915
  233    HH   TYR  35           HH       TYR  35  45.106  14.135   4.911
  234    H    MET  36           HN       MET  36  38.756  15.648   2.650
  235    HA   MET  36           HA       MET  36  40.108  15.988   5.159
  236    HB2  MET  36           HB2      MET  36  40.404  17.694   3.504
  237    HB3  MET  36           HB1      MET  36  38.661  17.909   3.327
  238    HG2  MET  36           HG2      MET  36  38.452  18.939   5.440
  239    HG3  MET  36           HG1      MET  36  40.012  18.326   5.991
  240    HE1  MET  36           HE1      MET  36  38.252  20.522   3.296
  241    HE2  MET  36           HE2      MET  36  39.026  22.065   3.646
  242    HE3  MET  36           HE3      MET  36  38.122  21.236   4.909
  243    H    LEU  37           HN       LEU  37  36.762  15.985   4.084
  244    HA   LEU  37           HA       LEU  37  35.579  17.116   6.379
  245    HB2  LEU  37           HB2      LEU  37  34.616  15.305   4.191
  246    HB3  LEU  37           HB1      LEU  37  33.583  15.617   5.585
  247    HG   LEU  37           HG       LEU  37  34.890  17.963   4.279
  248   HD11  LEU  37          HD11      LEU  37  34.103  17.090   2.270
  249   HD12  LEU  37          HD12      LEU  37  32.678  17.967   2.829
  250   HD13  LEU  37          HD13      LEU  37  32.780  16.221   3.049
  251   HD21  LEU  37          HD21      LEU  37  33.408  18.023   6.349
  252   HD22  LEU  37          HD22      LEU  37  32.069  17.550   5.303
  253   HD23  LEU  37          HD23      LEU  37  32.901  19.081   5.032
  254    H    VAL  38           HN       VAL  38  36.466  13.786   5.572
  255    HA   VAL  38           HA       VAL  38  35.256  12.419   7.660
  256    HB   VAL  38           HB       VAL  38  37.988  11.901   6.460
  257   HG11  VAL  38          HG11      VAL  38  37.876  10.532   8.363
  258   HG12  VAL  38          HG12      VAL  38  37.218   9.489   7.103
  259   HG13  VAL  38          HG13      VAL  38  36.131  10.314   8.221
  260   HG21  VAL  38          HG21      VAL  38  36.547  10.201   5.142
  261   HG22  VAL  38          HG22      VAL  38  36.439  11.896   4.667
  262   HG23  VAL  38          HG23      VAL  38  35.169  11.175   5.655
  263    H    PHE  39           HN       PHE  39  38.184  14.369   7.658
  264    HA   PHE  39           HA       PHE  39  39.057  13.596  10.271
  265    HB2  PHE  39           HB2      PHE  39  40.656  14.517   8.709
  266    HB3  PHE  39           HB1      PHE  39  39.716  16.001   8.559
  267    HD1  PHE  39           HD2      PHE  39  41.155  13.857  11.289
  268    HD2  PHE  39           HD1      PHE  39  40.453  17.828   9.808
  269    HE1  PHE  39           HE2      PHE  39  42.344  14.799  13.250
  270    HE2  PHE  39           HE1      PHE  39  41.640  18.769  11.769
  271    HZ   PHE  39           HZ       PHE  39  42.586  17.255  13.491
  272    H    LEU  40           HN       LEU  40  36.777  15.899   9.026
  273    HA   LEU  40           HA       LEU  40  36.524  17.171  11.674
  274    HB2  LEU  40           HB2      LEU  40  35.261  18.011   9.056
  275    HB3  LEU  40           HB1      LEU  40  35.318  18.940  10.554
  276    HG   LEU  40           HG       LEU  40  37.730  18.083   8.924
  277   HD11  LEU  40          HD11      LEU  40  36.241  19.913   7.966
  278   HD12  LEU  40          HD12      LEU  40  37.916  20.380   8.263
  279   HD13  LEU  40          HD13      LEU  40  36.649  20.872   9.389
  280   HD21  LEU  40          HD21      LEU  40  37.363  19.458  11.571
  281   HD22  LEU  40          HD22      LEU  40  38.740  19.892  10.558
  282   HD23  LEU  40          HD23      LEU  40  38.540  18.229  11.109
  283    H    LEU  41           HN       LEU  41  35.289  14.610  10.051
  284    HA   LEU  41           HA       LEU  41  32.747  14.774  11.531
  285    HB2  LEU  41           HB2      LEU  41  33.041  14.809   8.664
  286    HB3  LEU  41           HB1      LEU  41  32.206  13.339   9.165
  287    HG   LEU  41           HG       LEU  41  31.450  16.118  10.108
  288   HD11  LEU  41          HD11      LEU  41  31.112  15.746   7.642
  289   HD12  LEU  41          HD12      LEU  41  29.614  16.013   8.531
  290   HD13  LEU  41          HD13      LEU  41  30.070  14.382   8.042
  291   HD21  LEU  41          HD21      LEU  41  29.387  14.101  10.200
  292   HD22  LEU  41          HD22      LEU  41  30.065  15.044  11.527
  293   HD23  LEU  41          HD23      LEU  41  30.820  13.523  11.051
  294    H    GLY  42           HN       GLY  42  35.542  13.255  11.310
  295    HA2  GLY  42           HA2      GLY  42  34.609  10.495  11.242
  296    HA3  GLY  42           HA1      GLY  42  36.273  11.032  11.447
  297    H    THR  43           HN       THR  43  36.134  12.700  13.594
  298    HA   THR  43           HA       THR  43  34.831  11.194  15.758
  299    HB   THR  43           HB       THR  43  37.280  10.469  15.364
  300    HG1  THR  43           HG1      THR  43  37.615  10.601  17.705
  301   HG21  THR  43          HG21      THR  43  37.877  12.998  16.888
  302   HG22  THR  43          HG22      THR  43  37.943  12.963  15.126
  303   HG23  THR  43          HG23      THR  43  39.001  11.914  16.069
  304    H    THR  44           HN       THR  44  36.436  14.098  14.608
  305    HA   THR  44           HA       THR  44  36.142  15.679  16.930
  306    HB   THR  44           HB       THR  44  36.378  16.368  14.001
  307    HG1  THR  44           HG1      THR  44  38.047  16.311  16.265
  308   HG21  THR  44          HG21      THR  44  36.878  18.712  14.982
  309   HG22  THR  44          HG22      THR  44  35.989  18.152  16.398
  310   HG23  THR  44          HG23      THR  44  35.190  18.227  14.827
  311    H    GLY  45           HN       GLY  45  33.831  14.423  14.801
  312    HA2  GLY  45           HA2      GLY  45  31.866  16.258  14.431
  313    HA3  GLY  45           HA1      GLY  45  31.518  14.594  14.893
  314    H    ASN  46           HN       ASN  46  32.633  14.628  17.483
  315    HA   ASN  46           HA       ASN  46  30.642  16.304  18.866
  316    HB2  ASN  46           HB2      ASN  46  30.718  13.757  19.153
  317    HB3  ASN  46           HB1      ASN  46  32.198  14.022  20.072
  318   HD21  ASN  46          HD21      ASN  46  31.149  16.671  21.113
  319   HD22  ASN  46          HD22      ASN  46  30.015  16.250  22.304
  320    H    GLY  47           HN       GLY  47  32.903  17.641  17.976
  321    HA2  GLY  47           HA2      GLY  47  34.174  18.330  20.544
  322    HA3  GLY  47           HA1      GLY  47  35.188  18.026  19.136
  323    H    LEU  48           HN       LEU  48  32.094  19.479  18.635
  324    HA   LEU  48           HA       LEU  48  33.421  22.039  17.996
  325    HB2  LEU  48           HB2      LEU  48  31.062  20.588  16.858
  326    HB3  LEU  48           HB1      LEU  48  31.125  22.346  16.743
  327    HG   LEU  48           HG       LEU  48  33.557  20.769  15.983
  328   HD11  LEU  48          HD11      LEU  48  32.425  20.995  13.577
  329   HD12  LEU  48          HD12      LEU  48  30.947  20.852  14.527
  330   HD13  LEU  48          HD13      LEU  48  32.159  19.572  14.584
  331   HD21  LEU  48          HD21      LEU  48  32.442  23.119  14.503
  332   HD22  LEU  48          HD22      LEU  48  34.123  22.697  14.831
  333   HD23  LEU  48          HD23      LEU  48  33.125  23.399  16.105
  334    H    VAL  49           HN       VAL  49  31.431  20.566  20.266
  335    HA   VAL  49           HA       VAL  49  29.904  22.980  20.895
  336    HB   VAL  49           HB       VAL  49  28.931  21.520  22.702
  337   HG11  VAL  49          HG11      VAL  49  27.570  21.580  20.821
  338   HG12  VAL  49          HG12      VAL  49  27.947  19.859  20.888
  339   HG13  VAL  49          HG13      VAL  49  28.817  20.908  19.769
  340   HG21  VAL  49          HG21      VAL  49  29.446  19.167  22.717
  341   HG22  VAL  49          HG22      VAL  49  30.985  20.027  22.795
  342   HG23  VAL  49          HG23      VAL  49  30.445  19.318  21.272
  343    H    LEU  50           HN       LEU  50  32.967  22.226  21.345
  344    HA   LEU  50           HA       LEU  50  33.092  23.605  23.937
  345    HB2  LEU  50           HB2      LEU  50  35.108  21.983  24.397
  346    HB3  LEU  50           HB1      LEU  50  33.462  21.475  24.771
  347    HG   LEU  50           HG       LEU  50  33.313  20.285  22.632
  348   HD11  LEU  50          HD11      LEU  50  36.047  21.504  22.225
  349   HD12  LEU  50          HD12      LEU  50  34.648  21.568  21.152
  350   HD13  LEU  50          HD13      LEU  50  35.542  20.061  21.346
  351   HD21  LEU  50          HD21      LEU  50  34.504  19.336  24.763
  352   HD22  LEU  50          HD22      LEU  50  35.972  19.486  23.795
  353   HD23  LEU  50          HD23      LEU  50  34.650  18.457  23.240
  354    H    TRP  51           HN       TRP  51  33.796  23.783  20.838
  355    HA   TRP  51           HA       TRP  51  36.588  24.652  21.112
  356    HB2  TRP  51           HB2      TRP  51  36.266  23.297  19.190
  357    HB3  TRP  51           HB1      TRP  51  34.795  24.157  18.737
  358    HD1  TRP  51           HD1      TRP  51  38.465  25.201  19.440
  359    HE1  TRP  51           HE1      TRP  51  39.176  26.876  17.614
  360    HE3  TRP  51           HE3      TRP  51  34.153  25.422  16.713
  361    HZ2  TRP  51           HZ2      TRP  51  38.064  28.144  15.304
  362    HZ3  TRP  51           HZ3      TRP  51  34.007  26.868  14.707
  363    HH2  TRP  51           HH2      TRP  51  35.956  28.228  14.000
  364    H    THR  52           HN       THR  52  34.212  26.028  18.915
  365    HA   THR  52           HA       THR  52  35.031  28.667  19.206
  366    HB   THR  52           HB       THR  52  33.635  28.028  17.349
  367    HG1  THR  52           HG1      THR  52  33.265  30.121  18.765
  368   HG21  THR  52          HG21      THR  52  31.324  27.312  17.635
  369   HG22  THR  52          HG22      THR  52  31.446  27.520  19.382
  370   HG23  THR  52          HG23      THR  52  32.377  26.257  18.578
  371    H    VAL  53           HN       VAL  53  32.626  26.841  21.035
  372    HA   VAL  53           HA       VAL  53  31.409  28.912  22.447
  373    HB   VAL  53           HB       VAL  53  32.061  26.097  23.344
  374   HG11  VAL  53          HG11      VAL  53  30.612  28.362  24.635
  375   HG12  VAL  53          HG12      VAL  53  31.524  27.046  25.373
  376   HG13  VAL  53          HG13      VAL  53  29.890  26.760  24.774
  377   HG21  VAL  53          HG21      VAL  53  29.598  25.806  22.798
  378   HG22  VAL  53          HG22      VAL  53  30.637  26.089  21.401
  379   HG23  VAL  53          HG23      VAL  53  29.652  27.401  22.048
  380    H    PHE  54           HN       PHE  54  34.533  27.384  22.903
  381    HA   PHE  54           HA       PHE  54  35.070  28.407  25.499
  382    HB2  PHE  54           HB2      PHE  54  36.287  26.548  24.101
  383    HB3  PHE  54           HB1      PHE  54  37.248  27.900  23.504
  384    HD1  PHE  54           HD1      PHE  54  38.630  29.247  25.040
  385    HD2  PHE  54           HD2      PHE  54  36.421  25.830  26.414
  386    HE1  PHE  54           HE1      PHE  54  39.957  29.231  27.135
  387    HE2  PHE  54           HE2      PHE  54  37.748  25.814  28.509
  388    HZ   PHE  54           HZ       PHE  54  39.516  27.514  28.870
  389    H    ARG  55           HN       ARG  55  35.922  29.553  22.239
  390    HA   ARG  55           HA       ARG  55  36.965  32.046  23.376
  391    HB2  ARG  55           HB2      ARG  55  36.860  31.316  20.452
  392    HB3  ARG  55           HB1      ARG  55  37.938  32.456  21.258
  393    HG2  ARG  55           HG2      ARG  55  39.419  30.737  21.287
  394    HG3  ARG  55           HG1      ARG  55  38.449  30.126  22.628
  395    HD2  ARG  55           HD2      ARG  55  38.612  28.317  21.085
  396    HD3  ARG  55           HD1      ARG  55  36.994  28.978  20.873
  397    HE   ARG  55           HE       ARG  55  37.618  29.725  18.747
  398   HH11  ARG  55          HH21      ARG  55  40.337  28.634  20.588
  399   HH12  ARG  55          HH22      ARG  55  41.430  28.655  19.245
  400   HH21  ARG  55          HH11      ARG  55  39.046  29.756  16.981
  401   HH22  ARG  55          HH12      ARG  55  40.699  29.290  17.203
  402    H    LYS  56           HN       LYS  56  34.048  31.246  23.265
  403    HA   LYS  56           HA       LYS  56  32.922  33.204  21.422
  404    HB2  LYS  56           HB2      LYS  56  31.767  31.090  21.593
  405    HB3  LYS  56           HB1      LYS  56  31.663  31.238  23.347
  406    HG2  LYS  56           HG2      LYS  56  30.564  33.547  21.891
  407    HG3  LYS  56           HG1      LYS  56  29.707  32.038  21.588
  408    HD2  LYS  56           HD2      LYS  56  30.408  32.898  24.395
  409    HD3  LYS  56           HD1      LYS  56  28.934  33.457  23.607
  410    HE2  LYS  56           HE2      LYS  56  29.419  30.553  23.382
  411    HE3  LYS  56           HE1      LYS  56  29.123  31.126  25.024
  412    HZ1  LYS  56           HZ1      LYS  56  27.126  32.255  24.194
  413    HZ2  LYS  56           HZ2      LYS  56  27.052  30.572  23.970
  414    HZ3  LYS  56           HZ3      LYS  56  27.394  31.593  22.656
  415    H    LYS  57           HN       LYS  57  33.007  32.577  24.928
  416    HA   LYS  57           HA       LYS  57  31.555  34.787  25.798
  417    HB2  LYS  57           HB2      LYS  57  32.785  34.546  27.921
  418    HB3  LYS  57           HB1      LYS  57  32.264  32.981  27.298
  419    HG2  LYS  57           HG2      LYS  57  34.405  32.292  27.382
  420    HG3  LYS  57           HG1      LYS  57  34.791  33.479  26.136
  421    HD2  LYS  57           HD2      LYS  57  36.231  33.898  28.038
  422    HD3  LYS  57           HD1      LYS  57  35.045  35.201  27.953
  423    HE2  LYS  57           HE2      LYS  57  34.451  34.721  30.069
  424    HE3  LYS  57           HE1      LYS  57  33.846  33.166  29.498
  425    HZ1  LYS  57           HZ1      LYS  57  36.232  32.393  29.675
  426    HZ2  LYS  57           HZ2      LYS  57  35.412  32.658  31.139
  427    HZ3  LYS  57           HZ3      LYS  57  36.529  33.804  30.568
  428    H    GLY  58           HN       GLY  58  34.748  34.609  24.464
  429    HA2  GLY  58           HA2      GLY  58  35.284  36.995  23.578
  430    HA3  GLY  58           HA1      GLY  58  35.356  37.365  25.299
  431    H    HIS  59           HN       HIS  59  36.800  35.788  26.577
  432    HA   HIS  59           HA       HIS  59  38.870  34.323  25.431
  433    HB2  HIS  59           HB2      HIS  59  40.690  36.186  25.914
  434    HB3  HIS  59           HB1      HIS  59  39.892  36.085  24.345
  435    HD2  HIS  59           HD2      HIS  59  37.806  37.617  27.267
  436    HE1  HIS  59           HE1      HIS  59  39.008  40.792  24.757
  437    HE2  HIS  59           HE2      HIS  59  37.540  40.158  26.729
  438    H    HIS  60           HN       HIS  60  38.822  33.041  27.208
  439    HA   HIS  60           HA       HIS  60  38.935  32.406  29.431
  440    HB2  HIS  60           HB2      HIS  60  41.215  34.388  29.240
  441    HB3  HIS  60           HB1      HIS  60  41.010  33.208  30.535
  442    HD2  HIS  60           HD2      HIS  60  42.188  33.329  26.815
  443    HE1  HIS  60           HE1      HIS  60  42.433  29.314  28.102
  444    HE2  HIS  60           HE2      HIS  60  43.021  30.924  26.227
  445    H    HIS  61           HN       HIS  61  39.721  33.718  31.722
  446    HA   HIS  61           HA       HIS  61  38.403  36.240  32.049
  447    HB2  HIS  61           HB2      HIS  61  36.362  35.017  31.944
  448    HB3  HIS  61           HB1      HIS  61  37.002  33.727  32.962
  449    HD2  HIS  61           HD2      HIS  61  36.519  37.653  33.564
  450    HE1  HIS  61           HE1      HIS  61  35.448  35.545  37.062
  451    HE2  HIS  61           HE2      HIS  61  35.643  37.851  36.016
  452    H    HIS  62           HN       HIS  62  38.370  33.575  34.364
  453    HA   HIS  62           HA       HIS  62  39.471  34.941  36.491
  454    HB2  HIS  62           HB2      HIS  62  40.275  32.591  37.226
  455    HB3  HIS  62           HB1      HIS  62  38.545  32.843  36.992
  456    HD2  HIS  62           HD2      HIS  62  41.550  31.289  34.893
  457    HE1  HIS  62           HE1      HIS  62  37.912  29.619  33.549
  458    HE2  HIS  62           HE2      HIS  62  40.438  29.547  33.296
  459    H    HIS  63           HN       HIS  63  41.624  34.575  37.530
  460    HA   HIS  63           HA       HIS  63  43.871  33.883  35.884
  461    HB2  HIS  63           HB2      HIS  63  43.197  36.195  35.060
  462    HB3  HIS  63           HB1      HIS  63  43.660  36.796  36.652
  463    HD2  HIS  63           HD2      HIS  63  45.554  34.467  34.005
  464    HE1  HIS  63           HE1      HIS  63  48.278  37.238  35.652
  465    HE2  HIS  63           HE2      HIS  63  48.023  35.316  34.013
  466    H    HIS  64           HN       HIS  64  43.089  32.890  38.303
  467    HA   HIS  64           HA       HIS  64  44.161  34.165  40.579
  468    HB2  HIS  64           HB2      HIS  64  43.476  31.320  39.901
  469    HB3  HIS  64           HB1      HIS  64  44.287  31.701  41.420
  470    HD2  HIS  64           HD2      HIS  64  42.262  31.817  43.294
  471    HE1  HIS  64           HE1      HIS  64  39.468  34.020  41.022
  472    HE2  HIS  64           HE2      HIS  64  39.922  32.976  43.292
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  79.914  43.565 -14.402
    2    H2   MET   1           HT2      MET   1  81.272  44.432 -14.943
    3    H3   MET   1           HT3      MET   1  80.621  43.185 -15.896
    4    HA   MET   1           HA       MET   1  79.057  45.588 -15.168
    5    HB2  MET   1           HB2      MET   1  81.341  45.435 -16.894
    6    HB3  MET   1           HB1      MET   1  79.903  45.671 -17.888
    7    HG2  MET   1           HG2      MET   1  80.634  47.349 -15.469
    8    HG3  MET   1           HG1      MET   1  80.885  47.832 -17.147
    9    HE1  MET   1           HE1      MET   1  77.975  49.916 -17.614
   10    HE2  MET   1           HE2      MET   1  79.261  49.088 -18.488
   11    HE3  MET   1           HE3      MET   1  79.631  49.943 -16.992
   12    H    GLU   2           HN       GLU   2  77.275  45.851 -16.720
   13    HA   GLU   2           HA       GLU   2  75.371  44.996 -17.691
   14    HB2  GLU   2           HB2      GLU   2  77.343  44.695 -19.449
   15    HB3  GLU   2           HB1      GLU   2  77.008  42.985 -19.167
   16    HG2  GLU   2           HG2      GLU   2  75.583  43.588 -20.967
   17    HG3  GLU   2           HG1      GLU   2  74.537  43.575 -19.549
   18    H    GLU   3           HN       GLU   3  75.887  43.904 -15.190
   19    HA   GLU   3           HA       GLU   3  75.998  41.136 -14.975
   20    HB2  GLU   3           HB2      GLU   3  74.383  43.072 -13.296
   21    HB3  GLU   3           HB1      GLU   3  74.801  41.421 -12.836
   22    HG2  GLU   3           HG2      GLU   3  76.808  42.105 -12.095
   23    HG3  GLU   3           HG1      GLU   3  77.186  42.775 -13.682
   24    H    GLY   4           HN       GLY   4  73.848  40.029 -13.908
   25    HA2  GLY   4           HA2      GLY   4  71.550  39.515 -14.204
   26    HA3  GLY   4           HA1      GLY   4  71.544  40.496 -15.667
   27    H    GLY   5           HN       GLY   5  73.890  37.995 -14.797
   28    HA2  GLY   5           HA2      GLY   5  74.103  35.810 -15.625
   29    HA3  GLY   5           HA1      GLY   5  72.735  36.103 -16.695
   30    H    ASP   6           HN       ASP   6  76.182  36.636 -16.230
   31    HA   ASP   6           HA       ASP   6  76.760  38.055 -18.574
   32    HB2  ASP   6           HB2      ASP   6  78.562  37.945 -17.126
   33    HB3  ASP   6           HB1      ASP   6  78.318  36.234 -16.784
   34    H    PHE   7           HN       PHE   7  76.596  34.553 -17.992
   35    HA   PHE   7           HA       PHE   7  76.210  34.156 -20.880
   36    HB2  PHE   7           HB2      PHE   7  77.804  32.347 -20.968
   37    HB3  PHE   7           HB1      PHE   7  78.626  33.770 -20.326
   38    HD1  PHE   7           HD1      PHE   7  78.679  34.027 -17.736
   39    HD2  PHE   7           HD2      PHE   7  77.836  30.334 -19.761
   40    HE1  PHE   7           HE1      PHE   7  79.262  32.767 -15.681
   41    HE2  PHE   7           HE2      PHE   7  78.419  29.073 -17.706
   42    HZ   PHE   7           HZ       PHE   7  79.132  30.291 -15.665
   43    H    ASP   8           HN       ASP   8  74.205  34.155 -18.987
   44    HA   ASP   8           HA       ASP   8  73.592  31.752 -17.725
   45    HB2  ASP   8           HB2      ASP   8  72.337  34.004 -17.668
   46    HB3  ASP   8           HB1      ASP   8  71.503  33.422 -19.108
   47    H    ASN   9           HN       ASN   9  73.599  29.786 -18.605
   48    HA   ASN   9           HA       ASN   9  72.856  29.436 -21.417
   49    HB2  ASN   9           HB2      ASN   9  74.059  27.483 -21.378
   50    HB3  ASN   9           HB1      ASN   9  74.883  28.343 -20.079
   51   HD21  ASN   9          HD21      ASN   9  72.952  28.085 -18.006
   52   HD22  ASN   9          HD22      ASN   9  72.797  26.443 -17.608
   53    H    TYR  10           HN       TYR  10  70.957  29.989 -19.096
   54    HA   TYR  10           HA       TYR  10  68.770  29.432 -18.643
   55    HB2  TYR  10           HB2      TYR  10  68.869  27.099 -20.516
   56    HB3  TYR  10           HB1      TYR  10  67.552  28.228 -20.200
   57    HD1  TYR  10           HD2      TYR  10  68.710  30.848 -20.515
   58    HD2  TYR  10           HD1      TYR  10  69.478  27.274 -22.771
   59    HE1  TYR  10           HE2      TYR  10  69.415  32.223 -22.454
   60    HE2  TYR  10           HE1      TYR  10  70.184  28.650 -24.709
   61    HH   TYR  10           HH       TYR  10  71.168  31.118 -24.950
   62    H    TYR  11           HN       TYR  11  71.013  26.716 -19.002
   63    HA   TYR  11           HA       TYR  11  71.555  25.045 -17.503
   64    HB2  TYR  11           HB2      TYR  11  70.709  27.001 -15.839
   65    HB3  TYR  11           HB1      TYR  11  69.478  25.778 -15.523
   66    HD1  TYR  11           HD2      TYR  11  73.190  26.175 -15.851
   67    HD2  TYR  11           HD1      TYR  11  69.943  24.012 -14.052
   68    HE1  TYR  11           HE2      TYR  11  74.804  24.909 -14.458
   69    HE2  TYR  11           HE1      TYR  11  71.558  22.746 -12.659
   70    HH   TYR  11           HH       TYR  11  74.101  22.111 -12.915
   71    H    GLY  12           HN       GLY  12  69.859  23.582 -15.811
   72    HA2  GLY  12           HA2      GLY  12  68.759  21.662 -17.381
   73    HA3  GLY  12           HA1      GLY  12  68.109  22.058 -15.793
   74    H    ALA  13           HN       ALA  13  67.356  24.782 -16.622
   75    HA   ALA  13           HA       ALA  13  65.450  25.843 -17.348
   76    HB1  ALA  13           HB1      ALA  13  64.784  25.338 -19.692
   77    HB2  ALA  13           HB2      ALA  13  65.898  23.971 -19.682
   78    HB3  ALA  13           HB3      ALA  13  66.517  25.614 -19.519
   79    H    ASP  14           HN       ASP  14  64.652  22.818 -18.967
   80    HA   ASP  14           HA       ASP  14  62.010  22.735 -18.043
   81    HB2  ASP  14           HB2      ASP  14  63.462  20.203 -18.706
   82    HB3  ASP  14           HB1      ASP  14  61.834  20.710 -19.155
   83    H    ASN  15           HN       ASN  15  64.869  20.937 -16.902
   84    HA   ASN  15           HA       ASN  15  63.740  19.395 -14.923
   85    HB2  ASN  15           HB2      ASN  15  66.390  20.484 -15.482
   86    HB3  ASN  15           HB1      ASN  15  66.096  20.270 -13.757
   87   HD21  ASN  15          HD21      ASN  15  66.311  18.162 -12.958
   88   HD22  ASN  15          HD22      ASN  15  66.396  16.772 -13.928
   89    H    GLN  16           HN       GLN  16  64.548  22.829 -14.819
   90    HA   GLN  16           HA       GLN  16  63.515  23.002 -12.069
   91    HB2  GLN  16           HB2      GLN  16  64.812  25.214 -13.662
   92    HB3  GLN  16           HB1      GLN  16  64.604  25.111 -11.914
   93    HG2  GLN  16           HG2      GLN  16  66.026  22.945 -12.091
   94    HG3  GLN  16           HG1      GLN  16  66.492  23.559 -13.677
   95   HE21  GLN  16          HE21      GLN  16  67.287  23.684 -10.373
   96   HE22  GLN  16          HE22      GLN  16  68.262  25.072 -10.414
   97    H    SER  17           HN       SER  17  61.627  22.474 -14.069
   98    HA   SER  17           HA       SER  17  59.998  24.908 -13.875
   99    HB2  SER  17           HB2      SER  17  61.276  24.332 -16.233
  100    HB3  SER  17           HB1      SER  17  59.722  23.534 -16.458
  101    HG   SER  17           HG       SER  17  58.720  25.425 -16.348
  102    H    GLU  18           HN       GLU  18  57.846  24.014 -15.389
  103    HA   GLU  18           HA       GLU  18  56.378  22.497 -13.599
  104    HB2  GLU  18           HB2      GLU  18  54.900  21.988 -15.615
  105    HB3  GLU  18           HB1      GLU  18  55.198  23.694 -15.281
  106    HG2  GLU  18           HG2      GLU  18  56.289  23.987 -17.234
  107    HG3  GLU  18           HG1      GLU  18  57.252  22.528 -17.000
  108    H    CYS  19           HN       CYS  19  57.668  20.743 -12.894
  109    HA   CYS  19           HA       CYS  19  57.465  18.401 -14.643
  110    HB2  CYS  19           HB2      CYS  19  59.920  19.768 -14.182
  111    HB3  CYS  19           HB1      CYS  19  59.983  18.240 -13.304
  112    HG   CYS  19           HG       CYS  19  60.606  17.422 -15.599
  113    H    GLU  20           HN       GLU  20  56.032  17.344 -13.355
  114    HA   GLU  20           HA       GLU  20  55.272  16.084 -11.593
  115    HB2  GLU  20           HB2      GLU  20  58.028  16.234 -10.390
  116    HB3  GLU  20           HB1      GLU  20  56.851  14.923 -10.291
  117    HG2  GLU  20           HG2      GLU  20  57.107  14.842 -12.893
  118    HG3  GLU  20           HG1      GLU  20  58.615  15.706 -12.597
  119    H    TYR  21           HN       TYR  21  56.303  19.185 -11.350
  120    HA   TYR  21           HA       TYR  21  55.603  19.429  -8.490
  121    HB2  TYR  21           HB2      TYR  21  56.763  21.683 -10.078
  122    HB3  TYR  21           HB1      TYR  21  56.938  21.315  -8.362
  123    HD1  TYR  21           HD2      TYR  21  57.769  18.555  -8.269
  124    HD2  TYR  21           HD1      TYR  21  58.881  21.611 -11.075
  125    HE1  TYR  21           HE2      TYR  21  59.887  17.354  -8.739
  126    HE2  TYR  21           HE1      TYR  21  60.998  20.410 -11.546
  127    HH   TYR  21           HH       TYR  21  62.460  18.567  -9.941
  128    H    THR  22           HN       THR  22  53.743  19.119 -10.817
  129    HA   THR  22           HA       THR  22  51.794  21.013 -10.013
  130    HB   THR  22           HB       THR  22  52.698  22.750 -11.217
  131    HG1  THR  22           HG1      THR  22  51.374  22.983 -12.866
  132   HG21  THR  22          HG21      THR  22  54.698  21.930 -12.060
  133   HG22  THR  22          HG22      THR  22  53.790  22.168 -13.553
  134   HG23  THR  22          HG23      THR  22  53.922  20.557 -12.848
  135    H    ASP  23           HN       ASP  23  52.924  19.046 -12.751
  136    HA   ASP  23           HA       ASP  23  50.286  18.393 -13.655
  137    HB2  ASP  23           HB2      ASP  23  53.035  17.315 -14.253
  138    HB3  ASP  23           HB1      ASP  23  51.586  16.571 -14.926
  139    H    TRP  24           HN       TRP  24  50.081  17.920 -11.046
  140    HA   TRP  24           HA       TRP  24  49.336  15.181 -10.906
  141    HB2  TRP  24           HB2      TRP  24  50.918  14.300  -9.376
  142    HB3  TRP  24           HB1      TRP  24  51.878  15.083 -10.631
  143    HD1  TRP  24           HD1      TRP  24  53.268  17.195  -9.989
  144    HE1  TRP  24           HE1      TRP  24  53.815  18.339  -7.744
  145    HE3  TRP  24           HE3      TRP  24  49.910  14.833  -6.951
  146    HZ2  TRP  24           HZ2      TRP  24  52.945  18.264  -5.021
  147    HZ3  TRP  24           HZ3      TRP  24  49.791  15.388  -4.538
  148    HH2  TRP  24           HH2      TRP  24  51.303  17.099  -3.570
  149    H    LYS  25           HN       LYS  25  50.069  18.201  -9.277
  150    HA   LYS  25           HA       LYS  25  49.017  17.947  -6.788
  151    HB2  LYS  25           HB2      LYS  25  49.793  20.067  -8.193
  152    HB3  LYS  25           HB1      LYS  25  48.052  20.288  -8.365
  153    HG2  LYS  25           HG2      LYS  25  48.436  21.434  -6.380
  154    HG3  LYS  25           HG1      LYS  25  48.052  19.827  -5.762
  155    HD2  LYS  25           HD2      LYS  25  50.026  20.210  -4.622
  156    HD3  LYS  25           HD1      LYS  25  50.674  19.472  -6.087
  157    HE2  LYS  25           HE2      LYS  25  51.906  21.531  -5.552
  158    HE3  LYS  25           HE1      LYS  25  51.014  21.722  -7.061
  159    HZ1  LYS  25           HZ1      LYS  25  49.508  23.124  -6.107
  160    HZ2  LYS  25           HZ2      LYS  25  50.885  23.524  -5.197
  161    HZ3  LYS  25           HZ3      LYS  25  49.708  22.483  -4.550
  162    H    SER  26           HN       SER  26  47.340  16.569  -6.425
  163    HA   SER  26           HA       SER  26  45.117  16.014  -6.148
  164    HB2  SER  26           HB2      SER  26  44.151  18.171  -7.957
  165    HB3  SER  26           HB1      SER  26  43.507  17.624  -6.411
  166    HG   SER  26           HG       SER  26  46.002  18.615  -6.132
  167    H    SER  27           HN       SER  27  45.082  14.107  -7.234
  168    HA   SER  27           HA       SER  27  45.198  13.933 -10.097
  169    HB2  SER  27           HB2      SER  27  45.532  12.158  -7.970
  170    HB3  SER  27           HB1      SER  27  44.076  11.595  -8.788
  171    HG   SER  27           HG       SER  27  45.241  11.051 -10.461
  172    H    GLY  28           HN       GLY  28  42.635  12.843  -7.861
  173    HA2  GLY  28           HA2      GLY  28  40.643  12.905  -9.932
  174    HA3  GLY  28           HA1      GLY  28  40.365  12.578  -8.224
  175    H    ALA  29           HN       ALA  29  41.712  15.076  -7.404
  176    HA   ALA  29           HA       ALA  29  41.300  17.341  -7.166
  177    HB1  ALA  29           HB1      ALA  29  40.663  17.037  -9.744
  178    HB2  ALA  29           HB2      ALA  29  40.328  18.530  -8.868
  179    HB3  ALA  29           HB3      ALA  29  39.046  17.345  -9.111
  180    H    LEU  30           HN       LEU  30  40.194  15.462  -5.477
  181    HA   LEU  30           HA       LEU  30  37.913  16.926  -4.476
  182    HB2  LEU  30           HB2      LEU  30  36.298  15.191  -4.543
  183    HB3  LEU  30           HB1      LEU  30  36.981  15.258  -6.165
  184    HG   LEU  30           HG       LEU  30  37.633  13.255  -3.982
  185   HD11  LEU  30          HD11      LEU  30  35.565  13.055  -5.523
  186   HD12  LEU  30          HD12      LEU  30  36.640  11.661  -5.404
  187   HD13  LEU  30          HD13      LEU  30  36.728  12.727  -6.807
  188   HD21  LEU  30          HD21      LEU  30  39.112  12.276  -5.850
  189   HD22  LEU  30          HD22      LEU  30  39.736  13.697  -5.015
  190   HD23  LEU  30          HD23      LEU  30  39.002  13.862  -6.611
  191    H    ILE  31           HN       ILE  31  40.718  15.864  -3.811
  192    HA   ILE  31           HA       ILE  31  40.368  14.066  -1.616
  193    HB   ILE  31           HB       ILE  31  42.766  15.804  -1.651
  194   HG12  ILE  31          HG12      ILE  31  41.897  14.078  -3.969
  195   HG13  ILE  31          HG11      ILE  31  42.614  15.690  -4.003
  196   HG21  ILE  31          HG21      ILE  31  43.843  13.802  -1.053
  197   HG22  ILE  31          HG22      ILE  31  42.604  12.801  -1.810
  198   HG23  ILE  31          HG23      ILE  31  42.257  13.640  -0.298
  199   HD11  ILE  31          HD11      ILE  31  43.951  13.042  -3.502
  200   HD12  ILE  31          HD12      ILE  31  44.671  14.531  -2.890
  201   HD13  ILE  31          HD13      ILE  31  44.415  14.322  -4.622
  202    HA   PRO  32           HA       PRO  32  40.580  17.984   1.039
  203    HB2  PRO  32           HB2      PRO  32  40.343  20.427  -0.142
  204    HB3  PRO  32           HB1      PRO  32  41.890  19.577   0.016
  205    HG2  PRO  32           HG2      PRO  32  40.242  20.033  -2.363
  206    HG3  PRO  32           HG1      PRO  32  41.968  19.671  -2.234
  207    HD2  PRO  32           HD2      PRO  32  39.840  17.856  -2.890
  208    HD3  PRO  32           HD1      PRO  32  41.568  17.486  -2.722
  209    H    ALA  33           HN       ALA  33  38.245  16.906  -0.802
  210    HA   ALA  33           HA       ALA  33  36.159  18.734   0.235
  211    HB1  ALA  33           HB1      ALA  33  34.743  17.891  -1.617
  212    HB2  ALA  33           HB2      ALA  33  36.106  16.937  -2.201
  213    HB3  ALA  33           HB3      ALA  33  36.196  18.698  -2.204
  214    H    ILE  34           HN       ILE  34  37.250  15.424  -0.105
  215    HA   ILE  34           HA       ILE  34  34.947  14.484   1.486
  216    HB   ILE  34           HB       ILE  34  36.942  12.915  -0.165
  217   HG12  ILE  34          HG12      ILE  34  33.995  13.443  -0.651
  218   HG13  ILE  34          HG11      ILE  34  35.292  14.347  -1.431
  219   HG21  ILE  34          HG21      ILE  34  35.026  12.168   1.896
  220   HG22  ILE  34          HG22      ILE  34  36.240  11.174   1.089
  221   HG23  ILE  34          HG23      ILE  34  34.650  11.394   0.357
  222   HD11  ILE  34          HD11      ILE  34  34.186  11.891  -2.273
  223   HD12  ILE  34          HD12      ILE  34  35.793  11.509  -1.653
  224   HD13  ILE  34          HD13      ILE  34  35.604  12.703  -2.937
  225    H    TYR  35           HN       TYR  35  38.475  14.531   1.318
  226    HA   TYR  35           HA       TYR  35  38.835  13.001   3.729
  227    HB2  TYR  35           HB2      TYR  35  40.486  13.341   1.746
  228    HB3  TYR  35           HB1      TYR  35  40.913  14.839   2.573
  229    HD1  TYR  35           HD1      TYR  35  40.786  11.146   2.893
  230    HD2  TYR  35           HD2      TYR  35  42.151  14.829   4.634
  231    HE1  TYR  35           HE1      TYR  35  42.211   9.872   4.472
  232    HE2  TYR  35           HE2      TYR  35  43.576  13.554   6.213
  233    HH   TYR  35           HH       TYR  35  44.353  11.544   6.774
  234    H    MET  36           HN       MET  36  38.488  16.381   2.910
  235    HA   MET  36           HA       MET  36  39.343  17.296   5.533
  236    HB2  MET  36           HB2      MET  36  38.365  18.625   3.024
  237    HB3  MET  36           HB1      MET  36  38.389  19.519   4.545
  238    HG2  MET  36           HG2      MET  36  40.845  17.981   3.868
  239    HG3  MET  36           HG1      MET  36  40.517  19.417   2.898
  240    HE1  MET  36           HE1      MET  36  41.266  21.887   3.785
  241    HE2  MET  36           HE2      MET  36  40.350  22.305   5.231
  242    HE3  MET  36           HE3      MET  36  39.552  21.464   3.904
  243    H    LEU  37           HN       LEU  37  36.313  17.145   3.670
  244    HA   LEU  37           HA       LEU  37  34.713  18.123   5.848
  245    HB2  LEU  37           HB2      LEU  37  33.782  16.622   3.394
  246    HB3  LEU  37           HB1      LEU  37  32.829  17.698   4.416
  247    HG   LEU  37           HG       LEU  37  35.224  18.512   2.740
  248   HD11  LEU  37          HD11      LEU  37  32.464  19.597   2.362
  249   HD12  LEU  37          HD12      LEU  37  32.802  17.977   1.750
  250   HD13  LEU  37          HD13      LEU  37  33.746  19.353   1.176
  251   HD21  LEU  37          HD21      LEU  37  33.515  19.920   4.772
  252   HD22  LEU  37          HD22      LEU  37  34.181  20.836   3.420
  253   HD23  LEU  37          HD23      LEU  37  35.261  20.004   4.538
  254    H    VAL  38           HN       VAL  38  36.415  15.757   6.361
  255    HA   VAL  38           HA       VAL  38  34.312  14.053   7.497
  256    HB   VAL  38           HB       VAL  38  36.545  13.111   5.698
  257   HG11  VAL  38          HG11      VAL  38  36.726  11.621   7.522
  258   HG12  VAL  38          HG12      VAL  38  35.627  10.795   6.418
  259   HG13  VAL  38          HG13      VAL  38  34.988  11.643   7.825
  260   HG21  VAL  38          HG21      VAL  38  34.687  11.959   4.562
  261   HG22  VAL  38          HG22      VAL  38  34.367  13.691   4.662
  262   HG23  VAL  38          HG23      VAL  38  33.557  12.580   5.765
  263    H    PHE  39           HN       PHE  39  37.234  15.692   7.746
  264    HA   PHE  39           HA       PHE  39  38.300  14.048   9.913
  265    HB2  PHE  39           HB2      PHE  39  40.026  14.885   8.565
  266    HB3  PHE  39           HB1      PHE  39  39.273  16.474   8.426
  267    HD1  PHE  39           HD1      PHE  39  40.775  14.138  10.936
  268    HD2  PHE  39           HD2      PHE  39  39.887  18.208   9.888
  269    HE1  PHE  39           HE1      PHE  39  42.066  14.926  12.901
  270    HE2  PHE  39           HE2      PHE  39  41.179  18.995  11.853
  271    HZ   PHE  39           HZ       PHE  39  42.269  17.354  13.360
  272    H    LEU  40           HN       LEU  40  36.698  17.141   9.401
  273    HA   LEU  40           HA       LEU  40  36.771  17.675  12.294
  274    HB2  LEU  40           HB2      LEU  40  35.656  19.891  11.405
  275    HB3  LEU  40           HB1      LEU  40  37.396  19.649  11.259
  276    HG   LEU  40           HG       LEU  40  37.132  18.878   8.953
  277   HD11  LEU  40          HD11      LEU  40  34.196  19.166   9.607
  278   HD12  LEU  40          HD12      LEU  40  35.038  17.758   8.958
  279   HD13  LEU  40          HD13      LEU  40  34.779  19.176   7.943
  280   HD21  LEU  40          HD21      LEU  40  35.405  21.256   8.789
  281   HD22  LEU  40          HD22      LEU  40  37.032  21.003   8.156
  282   HD23  LEU  40          HD23      LEU  40  36.804  21.466   9.843
  283    H    LEU  41           HN       LEU  41  34.916  15.947  10.312
  284    HA   LEU  41           HA       LEU  41  32.508  16.442  11.915
  285    HB2  LEU  41           HB2      LEU  41  32.771  16.853   8.989
  286    HB3  LEU  41           HB1      LEU  41  31.329  15.995   9.531
  287    HG   LEU  41           HG       LEU  41  32.181  18.531  10.909
  288   HD11  LEU  41          HD11      LEU  41  31.034  18.217   8.182
  289   HD12  LEU  41          HD12      LEU  41  32.003  19.530   8.851
  290   HD13  LEU  41          HD13      LEU  41  30.280  19.431   9.216
  291   HD21  LEU  41          HD21      LEU  41  30.228  16.736  11.464
  292   HD22  LEU  41          HD22      LEU  41  29.352  17.795  10.358
  293   HD23  LEU  41          HD23      LEU  41  30.076  18.456  11.824
  294    H    GLY  42           HN       GLY  42  34.735  14.342  11.319
  295    HA2  GLY  42           HA2      GLY  42  32.877  12.047  11.219
  296    HA3  GLY  42           HA1      GLY  42  34.344  12.049  10.245
  297    H    THR  43           HN       THR  43  35.103  13.713  12.965
  298    HA   THR  43           HA       THR  43  35.627  11.416  14.687
  299    HB   THR  43           HB       THR  43  38.072  12.924  14.444
  300    HG1  THR  43           HG1      THR  43  38.310  11.753  12.231
  301   HG21  THR  43          HG21      THR  43  39.016  10.711  14.186
  302   HG22  THR  43          HG22      THR  43  37.445  10.047  13.739
  303   HG23  THR  43          HG23      THR  43  37.725  10.621  15.383
  304    H    THR  44           HN       THR  44  36.785  14.770  14.273
  305    HA   THR  44           HA       THR  44  37.033  15.488  16.912
  306    HB   THR  44           HB       THR  44  36.209  17.067  14.487
  307    HG1  THR  44           HG1      THR  44  38.455  17.478  16.105
  308   HG21  THR  44          HG21      THR  44  36.371  17.954  17.360
  309   HG22  THR  44          HG22      THR  44  35.133  18.323  16.160
  310   HG23  THR  44          HG23      THR  44  36.723  19.077  16.047
  311    H    GLY  45           HN       GLY  45  34.133  14.866  15.141
  312    HA2  GLY  45           HA2      GLY  45  32.319  16.304  16.819
  313    HA3  GLY  45           HA1      GLY  45  31.896  15.030  15.678
  314    H    ASN  46           HN       ASN  46  32.748  12.780  16.439
  315    HA   ASN  46           HA       ASN  46  31.887  12.449  19.243
  316    HB2  ASN  46           HB2      ASN  46  31.258  10.184  18.629
  317    HB3  ASN  46           HB1      ASN  46  30.507  11.328  17.518
  318   HD21  ASN  46          HD21      ASN  46  33.749  11.309  16.717
  319   HD22  ASN  46          HD22      ASN  46  33.720  10.122  15.505
  320    H    GLY  47           HN       GLY  47  33.022   9.568  18.473
  321    HA2  GLY  47           HA2      GLY  47  34.830   8.396  19.333
  322    HA3  GLY  47           HA1      GLY  47  35.723   9.474  18.266
  323    H    LEU  48           HN       LEU  48  33.902  10.345  21.172
  324    HA   LEU  48           HA       LEU  48  36.399  11.416  22.331
  325    HB2  LEU  48           HB2      LEU  48  33.520  12.230  22.511
  326    HB3  LEU  48           HB1      LEU  48  34.624  12.640  23.824
  327    HG   LEU  48           HG       LEU  48  35.542  13.182  21.037
  328   HD11  LEU  48          HD11      LEU  48  33.470  14.193  20.710
  329   HD12  LEU  48          HD12      LEU  48  34.378  15.518  21.440
  330   HD13  LEU  48          HD13      LEU  48  33.267  14.564  22.423
  331   HD21  LEU  48          HD21      LEU  48  36.585  15.105  22.166
  332   HD22  LEU  48          HD22      LEU  48  36.963  13.611  23.026
  333   HD23  LEU  48          HD23      LEU  48  35.731  14.705  23.657
  334    H    VAL  49           HN       VAL  49  34.187   8.897  22.603
  335    HA   VAL  49           HA       VAL  49  34.632   8.556  25.491
  336    HB   VAL  49           HB       VAL  49  32.934   6.749  25.287
  337   HG11  VAL  49          HG11      VAL  49  31.064   8.229  25.079
  338   HG12  VAL  49          HG12      VAL  49  31.953   9.311  24.009
  339   HG13  VAL  49          HG13      VAL  49  32.386   9.206  25.716
  340   HG21  VAL  49          HG21      VAL  49  32.498   5.889  23.251
  341   HG22  VAL  49          HG22      VAL  49  33.543   7.097  22.503
  342   HG23  VAL  49          HG23      VAL  49  31.832   7.444  22.753
  343    H    LEU  50           HN       LEU  50  36.422   7.976  22.959
  344    HA   LEU  50           HA       LEU  50  37.403   5.402  24.004
  345    HB2  LEU  50           HB2      LEU  50  37.964   4.934  21.479
  346    HB3  LEU  50           HB1      LEU  50  36.358   4.568  22.108
  347    HG   LEU  50           HG       LEU  50  35.513   6.715  21.268
  348   HD11  LEU  50          HD11      LEU  50  37.365   8.183  21.421
  349   HD12  LEU  50          HD12      LEU  50  37.126   7.973  19.687
  350   HD13  LEU  50          HD13      LEU  50  38.411   7.091  20.512
  351   HD21  LEU  50          HD21      LEU  50  35.759   6.260  18.841
  352   HD22  LEU  50          HD22      LEU  50  35.459   4.780  19.751
  353   HD23  LEU  50          HD23      LEU  50  37.088   5.157  19.194
  354    H    TRP  51           HN       TRP  51  38.042   8.532  23.550
  355    HA   TRP  51           HA       TRP  51  40.805   8.189  22.610
  356    HB2  TRP  51           HB2      TRP  51  40.136  10.084  21.546
  357    HB3  TRP  51           HB1      TRP  51  38.882  10.433  22.737
  358    HD1  TRP  51           HD1      TRP  51  42.751  10.466  22.552
  359    HE1  TRP  51           HE1      TRP  51  43.599  12.451  23.964
  360    HE3  TRP  51           HE3      TRP  51  38.311  12.226  24.360
  361    HZ2  TRP  51           HZ2      TRP  51  42.536  14.510  25.639
  362    HZ3  TRP  51           HZ3      TRP  51  38.257  14.198  25.860
  363    HH2  TRP  51           HH2      TRP  51  40.363  15.341  26.501
  364    H    THR  52           HN       THR  52  39.280  10.177  25.153
  365    HA   THR  52           HA       THR  52  41.479  10.566  26.757
  366    HB   THR  52           HB       THR  52  39.674  11.758  27.530
  367    HG1  THR  52           HG1      THR  52  39.198   9.486  29.116
  368   HG21  THR  52          HG21      THR  52  37.417  10.447  27.916
  369   HG22  THR  52          HG22      THR  52  38.134   9.296  26.788
  370   HG23  THR  52          HG23      THR  52  37.872  10.968  26.293
  371    H    VAL  53           HN       VAL  53  39.204   7.835  26.863
  372    HA   VAL  53           HA       VAL  53  40.065   6.425  29.030
  373    HB   VAL  53           HB       VAL  53  39.284   5.418  26.292
  374   HG11  VAL  53          HG11      VAL  53  38.831   3.266  27.703
  375   HG12  VAL  53          HG12      VAL  53  40.029   3.942  28.807
  376   HG13  VAL  53          HG13      VAL  53  40.472   3.580  27.140
  377   HG21  VAL  53          HG21      VAL  53  37.148   5.519  27.074
  378   HG22  VAL  53          HG22      VAL  53  37.811   6.640  28.263
  379   HG23  VAL  53          HG23      VAL  53  37.610   4.937  28.674
  380    H    PHE  54           HN       PHE  54  41.803   6.992  26.070
  381    HA   PHE  54           HA       PHE  54  43.799   4.952  26.577
  382    HB2  PHE  54           HB2      PHE  54  42.982   6.040  24.292
  383    HB3  PHE  54           HB1      PHE  54  44.277   7.182  24.655
  384    HD1  PHE  54           HD1      PHE  54  43.510   3.560  24.230
  385    HD2  PHE  54           HD2      PHE  54  46.562   6.578  24.395
  386    HE1  PHE  54           HE1      PHE  54  45.187   1.906  23.455
  387    HE2  PHE  54           HE2      PHE  54  48.239   4.925  23.621
  388    HZ   PHE  54           HZ       PHE  54  47.552   2.588  23.151
  389    H    ARG  55           HN       ARG  55  43.491   8.456  26.915
  390    HA   ARG  55           HA       ARG  55  46.210   8.898  27.684
  391    HB2  ARG  55           HB2      ARG  55  43.683  10.515  27.785
  392    HB3  ARG  55           HB1      ARG  55  45.127  11.080  28.625
  393    HG2  ARG  55           HG2      ARG  55  44.992  11.982  26.316
  394    HG3  ARG  55           HG1      ARG  55  46.415  10.964  26.541
  395    HD2  ARG  55           HD2      ARG  55  45.458   9.160  25.355
  396    HD3  ARG  55           HD1      ARG  55  43.831   9.817  25.497
  397    HE   ARG  55           HE       ARG  55  44.261  11.162  23.643
  398   HH11  ARG  55          HH21      ARG  55  47.169   9.777  24.910
  399   HH12  ARG  55          HH22      ARG  55  48.155  10.289  23.582
  400   HH21  ARG  55          HH11      ARG  55  45.548  11.835  21.897
  401   HH22  ARG  55          HH12      ARG  55  47.238  11.454  21.876
  402    H    LYS  56           HN       LYS  56  43.214   8.222  29.409
  403    HA   LYS  56           HA       LYS  56  44.072   8.821  32.019
  404    HB2  LYS  56           HB2      LYS  56  42.090   6.739  31.068
  405    HB3  LYS  56           HB1      LYS  56  42.268   7.278  32.738
  406    HG2  LYS  56           HG2      LYS  56  41.922   9.404  30.683
  407    HG3  LYS  56           HG1      LYS  56  40.510   8.408  31.037
  408    HD2  LYS  56           HD2      LYS  56  40.580   8.977  33.366
  409    HD3  LYS  56           HD1      LYS  56  42.169   9.726  33.197
  410    HE2  LYS  56           HE2      LYS  56  39.725  10.719  31.715
  411    HE3  LYS  56           HE1      LYS  56  40.206  11.346  33.292
  412    HZ1  LYS  56           HZ1      LYS  56  42.367  11.917  32.350
  413    HZ2  LYS  56           HZ2      LYS  56  41.107  12.704  31.528
  414    HZ3  LYS  56           HZ3      LYS  56  41.868  11.355  30.830
  415    H    LYS  57           HN       LYS  57  44.365   5.878  30.073
  416    HA   LYS  57           HA       LYS  57  45.201   3.999  31.849
  417    HB2  LYS  57           HB2      LYS  57  45.373   4.327  29.083
  418    HB3  LYS  57           HB1      LYS  57  47.039   4.064  29.599
  419    HG2  LYS  57           HG2      LYS  57  44.669   2.302  30.294
  420    HG3  LYS  57           HG1      LYS  57  45.938   1.914  29.132
  421    HD2  LYS  57           HD2      LYS  57  47.414   2.548  31.352
  422    HD3  LYS  57           HD1      LYS  57  45.991   1.800  32.078
  423    HE2  LYS  57           HE2      LYS  57  46.274  -0.151  30.562
  424    HE3  LYS  57           HE1      LYS  57  47.738   0.589  29.914
  425    HZ1  LYS  57           HZ1      LYS  57  48.051  -1.085  31.751
  426    HZ2  LYS  57           HZ2      LYS  57  47.370   0.061  32.804
  427    HZ3  LYS  57           HZ3      LYS  57  48.811   0.414  31.978
  428    H    GLY  58           HN       GLY  58  47.138   6.685  30.590
  429    HA2  GLY  58           HA2      GLY  58  49.063   7.668  31.381
  430    HA3  GLY  58           HA1      GLY  58  48.738   6.875  32.919
  431    H    HIS  59           HN       HIS  59  48.788   4.598  30.471
  432    HA   HIS  59           HA       HIS  59  50.285   2.981  29.825
  433    HB2  HIS  59           HB2      HIS  59  52.564   4.766  30.622
  434    HB3  HIS  59           HB1      HIS  59  52.455   3.636  29.273
  435    HD2  HIS  59           HD2      HIS  59  49.504   4.918  28.144
  436    HE1  HIS  59           HE1      HIS  59  51.850   8.381  27.570
  437    HE2  HIS  59           HE2      HIS  59  49.673   7.233  26.946
  438    H    HIS  60           HN       HIS  60  49.279   2.993  32.491
  439    HA   HIS  60           HA       HIS  60  51.448   2.378  34.299
  440    HB2  HIS  60           HB2      HIS  60  48.444   2.218  34.489
  441    HB3  HIS  60           HB1      HIS  60  49.490   1.590  35.762
  442    HD2  HIS  60           HD2      HIS  60  51.066   4.722  34.262
  443    HE1  HIS  60           HE1      HIS  60  48.887   6.036  37.630
  444    HE2  HIS  60           HE2      HIS  60  50.614   6.709  35.894
  445    H    HIS  61           HN       HIS  61  51.908   0.800  32.193
  446    HA   HIS  61           HA       HIS  61  50.627  -1.738  32.246
  447    HB2  HIS  61           HB2      HIS  61  53.276  -0.793  31.151
  448    HB3  HIS  61           HB1      HIS  61  52.727  -2.462  30.997
  449    HD2  HIS  61           HD2      HIS  61  50.065   0.385  30.614
  450    HE1  HIS  61           HE1      HIS  61  50.773  -1.252  26.786
  451    HE2  HIS  61           HE2      HIS  61  49.303   0.337  28.116
  452    H    HIS  62           HN       HIS  62  51.190  -3.640  33.250
  453    HA   HIS  62           HA       HIS  62  52.984  -3.363  35.560
  454    HB2  HIS  62           HB2      HIS  62  51.736  -4.985  36.614
  455    HB3  HIS  62           HB1      HIS  62  50.503  -4.312  35.546
  456    HD2  HIS  62           HD2      HIS  62  49.399  -6.181  33.827
  457    HE1  HIS  62           HE1      HIS  62  52.347  -9.174  34.243
  458    HE2  HIS  62           HE2      HIS  62  50.106  -8.613  33.188
  459    H    HIS  63           HN       HIS  63  54.823  -4.526  35.787
  460    HA   HIS  63           HA       HIS  63  55.383  -6.885  34.251
  461    HB2  HIS  63           HB2      HIS  63  56.549  -4.243  33.431
  462    HB3  HIS  63           HB1      HIS  63  57.485  -5.723  33.221
  463    HD2  HIS  63           HD2      HIS  63  55.968  -7.760  31.635
  464    HE1  HIS  63           HE1      HIS  63  53.749  -4.782  29.626
  465    HE2  HIS  63           HE2      HIS  63  54.402  -7.236  29.612
  466    H    HIS  64           HN       HIS  64  55.443  -7.068  36.767
  467    HA   HIS  64           HA       HIS  64  57.455  -6.080  38.367
  468    HB2  HIS  64           HB2      HIS  64  55.581  -8.199  38.502
  469    HB3  HIS  64           HB1      HIS  64  57.153  -8.879  38.925
  470    HD2  HIS  64           HD2      HIS  64  58.395  -7.641  41.226
  471    HE1  HIS  64           HE1      HIS  64  54.903  -5.618  42.463
  472    HE2  HIS  64           HE2      HIS  64  57.255  -6.288  43.146
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  58.050  -7.220   9.022
    2    H2   MET   1           HT2      MET   1  57.651  -6.050   7.855
    3    H3   MET   1           HT3      MET   1  56.778  -7.506   7.936
    4    HA   MET   1           HA       MET   1  56.633  -5.143   9.664
    5    HB2  MET   1           HB2      MET   1  54.730  -7.052   8.310
    6    HB3  MET   1           HB1      MET   1  54.178  -5.973   9.592
    7    HG2  MET   1           HG2      MET   1  54.444  -4.087   8.308
    8    HG3  MET   1           HG1      MET   1  55.824  -4.750   7.434
    9    HE1  MET   1           HE1      MET   1  54.567  -6.569   4.506
   10    HE2  MET   1           HE2      MET   1  55.658  -6.759   5.876
   11    HE3  MET   1           HE3      MET   1  55.635  -5.241   4.983
   12    H    GLU   2           HN       GLU   2  58.118  -6.324  11.222
   13    HA   GLU   2           HA       GLU   2  56.455  -7.891  13.079
   14    HB2  GLU   2           HB2      GLU   2  59.329  -8.649  12.694
   15    HB3  GLU   2           HB1      GLU   2  57.991  -9.616  13.316
   16    HG2  GLU   2           HG2      GLU   2  56.974  -9.556  11.016
   17    HG3  GLU   2           HG1      GLU   2  58.446  -8.777  10.442
   18    H    GLU   3           HN       GLU   3  57.007  -5.164  13.259
   19    HA   GLU   3           HA       GLU   3  59.272  -4.429  14.717
   20    HB2  GLU   3           HB2      GLU   3  56.460  -3.334  14.679
   21    HB3  GLU   3           HB1      GLU   3  57.749  -2.592  15.627
   22    HG2  GLU   3           HG2      GLU   3  59.113  -2.345  13.585
   23    HG3  GLU   3           HG1      GLU   3  57.823  -3.081  12.635
   24    H    GLY   4           HN       GLY   4  59.747  -4.318  16.897
   25    HA2  GLY   4           HA2      GLY   4  58.425  -4.531  19.165
   26    HA3  GLY   4           HA1      GLY   4  58.252  -6.187  18.592
   27    H    GLY   5           HN       GLY   5  61.066  -4.112  18.108
   28    HA2  GLY   5           HA2      GLY   5  62.718  -6.114  19.488
   29    HA3  GLY   5           HA1      GLY   5  63.302  -4.879  18.375
   30    H    ASP   6           HN       ASP   6  63.134  -5.755  21.571
   31    HA   ASP   6           HA       ASP   6  63.342  -4.631  23.585
   32    HB2  ASP   6           HB2      ASP   6  65.317  -3.382  23.688
   33    HB3  ASP   6           HB1      ASP   6  65.574  -4.405  22.276
   34    H    PHE   7           HN       PHE   7  61.247  -3.614  21.644
   35    HA   PHE   7           HA       PHE   7  59.818  -1.819  21.402
   36    HB2  PHE   7           HB2      PHE   7  60.438  -1.006  24.208
   37    HB3  PHE   7           HB1      PHE   7  58.877  -1.161  23.402
   38    HD1  PHE   7           HD2      PHE   7  58.972  -3.840  22.249
   39    HD2  PHE   7           HD1      PHE   7  60.394  -2.454  26.057
   40    HE1  PHE   7           HE2      PHE   7  58.720  -6.127  23.176
   41    HE2  PHE   7           HE1      PHE   7  60.143  -4.739  26.983
   42    HZ   PHE   7           HZ       PHE   7  59.306  -6.577  25.543
   43    H    ASP   8           HN       ASP   8  62.272  -1.195  20.367
   44    HA   ASP   8           HA       ASP   8  63.650   0.998  21.335
   45    HB2  ASP   8           HB2      ASP   8  64.172  -0.369  19.264
   46    HB3  ASP   8           HB1      ASP   8  62.969   0.604  18.419
   47    H    ASN   9           HN       ASN   9  63.571   3.265  20.621
   48    HA   ASN   9           HA       ASN   9  60.884   4.313  20.892
   49    HB2  ASN   9           HB2      ASN   9  62.165   6.538  20.708
   50    HB3  ASN   9           HB1      ASN   9  62.494   5.524  22.113
   51   HD21  ASN   9          HD21      ASN   9  63.697   5.048  18.765
   52   HD22  ASN   9          HD22      ASN   9  65.337   5.197  19.173
   53    H    TYR  10           HN       TYR  10  62.465   3.093  18.333
   54    HA   TYR  10           HA       TYR  10  62.157   3.244  16.062
   55    HB2  TYR  10           HB2      TYR  10  60.021   5.311  16.500
   56    HB3  TYR  10           HB1      TYR  10  60.117   4.060  15.262
   57    HD1  TYR  10           HD1      TYR  10  60.059   1.589  16.081
   58    HD2  TYR  10           HD2      TYR  10  58.776   4.932  18.454
   59    HE1  TYR  10           HE1      TYR  10  58.739   0.061  17.520
   60    HE2  TYR  10           HE2      TYR  10  57.454   3.404  19.892
   61    HH   TYR  10           HH       TYR  10  56.398   1.160  19.706
   62    H    TYR  11           HN       TYR  11  61.326   6.544  17.133
   63    HA   TYR  11           HA       TYR  11  62.372   8.564  16.765
   64    HB2  TYR  11           HB2      TYR  11  64.472   6.844  17.091
   65    HB3  TYR  11           HB1      TYR  11  64.776   7.467  15.468
   66    HD1  TYR  11           HD2      TYR  11  63.754  10.190  15.565
   67    HD2  TYR  11           HD1      TYR  11  65.913   7.984  18.552
   68    HE1  TYR  11           HE2      TYR  11  64.584  12.315  16.535
   69    HE2  TYR  11           HE1      TYR  11  66.743  10.109  19.522
   70    HH   TYR  11           HH       TYR  11  67.040  12.364  19.022
   71    H    GLY  12           HN       GLY  12  61.161   9.463  15.187
   72    HA2  GLY  12           HA2      GLY  12  60.711  10.313  13.087
   73    HA3  GLY  12           HA1      GLY  12  62.186   9.542  12.514
   74    H    ALA  13           HN       ALA  13  61.828   6.929  12.839
   75    HA   ALA  13           HA       ALA  13  60.955   5.144  11.658
   76    HB1  ALA  13           HB1      ALA  13  58.222   6.047  12.452
   77    HB2  ALA  13           HB2      ALA  13  59.382   5.679  13.727
   78    HB3  ALA  13           HB3      ALA  13  58.947   4.442  12.547
   79    H    ASP  14           HN       ASP  14  61.301   7.516  10.076
   80    HA   ASP  14           HA       ASP  14  60.614   8.505   8.106
   81    HB2  ASP  14           HB2      ASP  14  61.075   5.938   7.654
   82    HB3  ASP  14           HB1      ASP  14  59.341   5.916   7.333
   83    H    ASN  15           HN       ASN  15  58.594   8.197  10.419
   84    HA   ASN  15           HA       ASN  15  56.014   8.017   9.203
   85    HB2  ASN  15           HB2      ASN  15  56.937   7.993  11.782
   86    HB3  ASN  15           HB1      ASN  15  56.218   9.598  11.674
   87   HD21  ASN  15          HD21      ASN  15  53.919   9.743  11.560
   88   HD22  ASN  15          HD22      ASN  15  52.903   8.384  11.601
   89    H    GLN  16           HN       GLN  16  58.177  10.686  10.043
   90    HA   GLN  16           HA       GLN  16  56.269  12.600   8.876
   91    HB2  GLN  16           HB2      GLN  16  58.838  13.471  10.119
   92    HB3  GLN  16           HB1      GLN  16  57.253  14.243  10.153
   93    HG2  GLN  16           HG2      GLN  16  56.481  12.269  11.585
   94    HG3  GLN  16           HG1      GLN  16  58.186  11.850  11.747
   95   HE21  GLN  16          HE21      GLN  16  59.016  14.747  11.720
   96   HE22  GLN  16          HE22      GLN  16  58.587  15.345  13.250
   97    H    SER  17           HN       SER  17  57.536  10.851   7.089
   98    HA   SER  17           HA       SER  17  58.807  12.759   5.335
   99    HB2  SER  17           HB2      SER  17  60.904  12.293   6.061
  100    HB3  SER  17           HB1      SER  17  60.399  10.812   6.872
  101    HG   SER  17           HG       SER  17  60.202   9.931   4.676
  102    H    GLU  18           HN       GLU  18  58.547  12.201   3.222
  103    HA   GLU  18           HA       GLU  18  57.417  11.161   1.500
  104    HB2  GLU  18           HB2      GLU  18  59.759   9.879   2.147
  105    HB3  GLU  18           HB1      GLU  18  58.604   8.549   2.132
  106    HG2  GLU  18           HG2      GLU  18  59.346   8.703  -0.108
  107    HG3  GLU  18           HG1      GLU  18  57.787   9.521  -0.108
  108    H    CYS  19           HN       CYS  19  55.904  11.201   3.921
  109    HA   CYS  19           HA       CYS  19  54.555   8.581   3.917
  110    HB2  CYS  19           HB2      CYS  19  55.336   9.792   6.075
  111    HB3  CYS  19           HB1      CYS  19  53.937  10.832   5.812
  112    HG   CYS  19           HG       CYS  19  53.262   8.707   7.278
  113    H    GLU  20           HN       GLU  20  53.369   8.774   2.003
  114    HA   GLU  20           HA       GLU  20  51.576   9.354   0.691
  115    HB2  GLU  20           HB2      GLU  20  50.368  10.688   3.103
  116    HB3  GLU  20           HB1      GLU  20  49.557   9.828   1.794
  117    HG2  GLU  20           HG2      GLU  20  50.881   7.757   2.602
  118    HG3  GLU  20           HG1      GLU  20  51.165   8.684   4.074
  119    H    TYR  21           HN       TYR  21  53.831  11.306   1.289
  120    HA   TYR  21           HA       TYR  21  52.454  13.847   0.726
  121    HB2  TYR  21           HB2      TYR  21  55.228  13.159   1.683
  122    HB3  TYR  21           HB1      TYR  21  54.840  14.760   1.052
  123    HD1  TYR  21           HD1      TYR  21  52.858  16.020   2.093
  124    HD2  TYR  21           HD2      TYR  21  54.677  12.576   3.903
  125    HE1  TYR  21           HE1      TYR  21  51.863  16.643   4.277
  126    HE2  TYR  21           HE2      TYR  21  53.682  13.199   6.088
  127    HH   TYR  21           HH       TYR  21  52.708  14.940   7.233
  128    H    THR  22           HN       THR  22  53.226  11.408  -1.091
  129    HA   THR  22           HA       THR  22  53.702  12.986  -3.438
  130    HB   THR  22           HB       THR  22  55.973  13.017  -3.111
  131    HG1  THR  22           HG1      THR  22  55.622  11.732  -4.945
  132   HG21  THR  22          HG21      THR  22  57.103  10.944  -1.984
  133   HG22  THR  22          HG22      THR  22  55.465  10.567  -1.448
  134   HG23  THR  22          HG23      THR  22  56.218  12.091  -0.979
  135    H    ASP  23           HN       ASP  23  53.971   9.722  -2.040
  136    HA   ASP  23           HA       ASP  23  53.277   8.381  -4.468
  137    HB2  ASP  23           HB2      ASP  23  53.042   7.321  -1.646
  138    HB3  ASP  23           HB1      ASP  23  53.197   6.383  -3.131
  139    H    TRP  24           HN       TRP  24  51.424  10.439  -3.973
  140    HA   TRP  24           HA       TRP  24  48.965   8.931  -4.111
  141    HB2  TRP  24           HB2      TRP  24  47.853   9.858  -2.234
  142    HB3  TRP  24           HB1      TRP  24  49.415   9.314  -1.623
  143    HD1  TRP  24           HD1      TRP  24  51.387  11.449  -2.034
  144    HE1  TRP  24           HE1      TRP  24  51.121  13.865  -1.171
  145    HE3  TRP  24           HE3      TRP  24  46.317  11.628  -1.446
  146    HZ2  TRP  24           HZ2      TRP  24  49.037  15.637  -0.341
  147    HZ3  TRP  24           HZ3      TRP  24  45.218  13.688  -0.618
  148    HH2  TRP  24           HH2      TRP  24  46.571  15.693  -0.066
  149    H    LYS  25           HN       LYS  25  50.508  12.111  -3.840
  150    HA   LYS  25           HA       LYS  25  49.928  14.158  -4.754
  151    HB2  LYS  25           HB2      LYS  25  49.605  12.219  -7.048
  152    HB3  LYS  25           HB1      LYS  25  49.547  13.969  -7.253
  153    HG2  LYS  25           HG2      LYS  25  51.846  12.823  -5.728
  154    HG3  LYS  25           HG1      LYS  25  51.841  12.628  -7.481
  155    HD2  LYS  25           HD2      LYS  25  51.953  14.919  -7.875
  156    HD3  LYS  25           HD1      LYS  25  51.237  15.325  -6.315
  157    HE2  LYS  25           HE2      LYS  25  53.255  14.819  -5.146
  158    HE3  LYS  25           HE1      LYS  25  53.954  14.022  -6.554
  159    HZ1  LYS  25           HZ1      LYS  25  53.164  16.860  -6.672
  160    HZ2  LYS  25           HZ2      LYS  25  54.294  16.024  -7.628
  161    HZ3  LYS  25           HZ3      LYS  25  54.663  16.413  -6.015
  162    H    SER  26           HN       SER  26  47.737  12.584  -6.952
  163    HA   SER  26           HA       SER  26  45.341  12.931  -5.467
  164    HB2  SER  26           HB2      SER  26  44.476  14.939  -6.292
  165    HB3  SER  26           HB1      SER  26  46.161  15.345  -5.985
  166    HG   SER  26           HG       SER  26  46.011  14.301  -8.409
  167    H    SER  27           HN       SER  27  43.907  11.594  -6.357
  168    HA   SER  27           HA       SER  27  44.320  10.753  -9.151
  169    HB2  SER  27           HB2      SER  27  42.692   8.893  -8.410
  170    HB3  SER  27           HB1      SER  27  44.331   8.853  -7.769
  171    HG   SER  27           HG       SER  27  42.177  10.148  -6.457
  172    H    GLY  28           HN       GLY  28  43.229  13.164  -9.160
  173    HA2  GLY  28           HA2      GLY  28  41.189  13.412 -10.725
  174    HA3  GLY  28           HA1      GLY  28  40.303  12.828  -9.319
  175    H    ALA  29           HN       ALA  29  42.224  14.265  -7.513
  176    HA   ALA  29           HA       ALA  29  42.568  16.368  -6.608
  177    HB1  ALA  29           HB1      ALA  29  42.533  18.223  -7.952
  178    HB2  ALA  29           HB2      ALA  29  41.016  17.766  -8.727
  179    HB3  ALA  29           HB3      ALA  29  42.524  16.989  -9.212
  180    H    LEU  30           HN       LEU  30  40.439  14.708  -5.878
  181    HA   LEU  30           HA       LEU  30  38.468  16.726  -5.031
  182    HB2  LEU  30           HB2      LEU  30  36.639  15.126  -5.395
  183    HB3  LEU  30           HB1      LEU  30  37.474  15.479  -6.908
  184    HG   LEU  30           HG       LEU  30  38.872  13.319  -5.757
  185   HD11  LEU  30          HD11      LEU  30  36.824  13.052  -4.307
  186   HD12  LEU  30          HD12      LEU  30  37.168  11.658  -5.330
  187   HD13  LEU  30          HD13      LEU  30  35.888  12.787  -5.779
  188   HD21  LEU  30          HD21      LEU  30  36.778  13.353  -7.956
  189   HD22  LEU  30          HD22      LEU  30  38.013  12.114  -7.731
  190   HD23  LEU  30          HD23      LEU  30  38.482  13.758  -8.165
  191    H    ILE  31           HN       ILE  31  40.812  14.922  -3.976
  192    HA   ILE  31           HA       ILE  31  39.517  13.375  -1.914
  193    HB   ILE  31           HB       ILE  31  42.444  14.083  -1.951
  194   HG12  ILE  31          HG12      ILE  31  42.220  11.637  -3.220
  195   HG13  ILE  31          HG11      ILE  31  40.895  12.555  -3.933
  196   HG21  ILE  31          HG21      ILE  31  41.215  11.435  -1.267
  197   HG22  ILE  31          HG22      ILE  31  41.120  12.754  -0.101
  198   HG23  ILE  31          HG23      ILE  31  42.693  12.173  -0.647
  199   HD11  ILE  31          HD11      ILE  31  43.791  13.447  -3.782
  200   HD12  ILE  31          HD12      ILE  31  42.470  14.393  -4.469
  201   HD13  ILE  31          HD13      ILE  31  42.960  12.880  -5.230
  202    HA   PRO  32           HA       PRO  32  41.371  17.116   0.673
  203    HB2  PRO  32           HB2      PRO  32  40.515  19.317  -1.121
  204    HB3  PRO  32           HB1      PRO  32  42.019  19.132  -0.198
  205    HG2  PRO  32           HG2      PRO  32  41.947  18.852  -2.854
  206    HG3  PRO  32           HG1      PRO  32  43.028  17.888  -1.833
  207    HD2  PRO  32           HD2      PRO  32  40.467  17.079  -3.159
  208    HD3  PRO  32           HD1      PRO  32  41.947  16.132  -2.890
  209    H    ALA  33           HN       ALA  33  38.530  17.295  -1.407
  210    HA   ALA  33           HA       ALA  33  36.889  18.774   0.398
  211    HB1  ALA  33           HB1      ALA  33  35.018  17.859  -1.044
  212    HB2  ALA  33           HB2      ALA  33  36.251  16.988  -1.954
  213    HB3  ALA  33           HB3      ALA  33  36.268  18.750  -1.911
  214    H    ILE  34           HN       ILE  34  36.722  15.332  -0.553
  215    HA   ILE  34           HA       ILE  34  34.918  14.498   1.389
  216    HB   ILE  34           HB       ILE  34  37.222  12.953   0.176
  217   HG12  ILE  34          HG12      ILE  34  34.320  12.795  -0.614
  218   HG13  ILE  34          HG11      ILE  34  35.351  14.061  -1.282
  219   HG21  ILE  34          HG21      ILE  34  35.151  12.264   2.138
  220   HG22  ILE  34          HG22      ILE  34  36.616  11.386   1.698
  221   HG23  ILE  34          HG23      ILE  34  35.152  11.200   0.731
  222   HD11  ILE  34          HD11      ILE  34  36.943  12.338  -2.073
  223   HD12  ILE  34          HD12      ILE  34  35.337  12.092  -2.760
  224   HD13  ILE  34          HD13      ILE  34  35.892  11.078  -1.426
  225    H    TYR  35           HN       TYR  35  38.374  15.060   1.623
  226    HA   TYR  35           HA       TYR  35  38.641  13.841   4.222
  227    HB2  TYR  35           HB2      TYR  35  40.584  13.897   2.801
  228    HB3  TYR  35           HB1      TYR  35  40.459  15.647   2.617
  229    HD1  TYR  35           HD1      TYR  35  40.896  17.149   4.556
  230    HD2  TYR  35           HD2      TYR  35  41.545  12.909   4.773
  231    HE1  TYR  35           HE1      TYR  35  42.267  17.464   6.598
  232    HE2  TYR  35           HE2      TYR  35  42.916  13.223   6.816
  233    HH   TYR  35           HH       TYR  35  43.112  14.940   8.649
  234    H    MET  36           HN       MET  36  37.516  16.837   3.044
  235    HA   MET  36           HA       MET  36  38.132  18.314   5.481
  236    HB2  MET  36           HB2      MET  36  38.220  19.468   3.306
  237    HB3  MET  36           HB1      MET  36  36.512  19.112   3.050
  238    HG2  MET  36           HG2      MET  36  35.881  20.849   4.339
  239    HG3  MET  36           HG1      MET  36  36.940  20.330   5.652
  240    HE1  MET  36           HE1      MET  36  36.748  22.017   2.184
  241    HE2  MET  36           HE2      MET  36  37.543  23.549   2.537
  242    HE3  MET  36           HE3      MET  36  36.099  23.086   3.437
  243    H    LEU  37           HN       LEU  37  35.296  17.001   3.800
  244    HA   LEU  37           HA       LEU  37  33.438  17.888   5.803
  245    HB2  LEU  37           HB2      LEU  37  33.016  15.698   3.763
  246    HB3  LEU  37           HB1      LEU  37  31.788  16.686   4.555
  247    HG   LEU  37           HG       LEU  37  33.908  17.685   2.630
  248   HD11  LEU  37          HD11      LEU  37  31.153  18.216   1.928
  249   HD12  LEU  37          HD12      LEU  37  31.394  16.487   2.171
  250   HD13  LEU  37          HD13      LEU  37  32.385  17.359   1.003
  251   HD21  LEU  37          HD21      LEU  37  31.908  19.044   4.410
  252   HD22  LEU  37          HD22      LEU  37  32.298  19.768   2.849
  253   HD23  LEU  37          HD23      LEU  37  33.569  19.509   4.043
  254    H    VAL  38           HN       VAL  38  35.816  16.103   6.500
  255    HA   VAL  38           HA       VAL  38  34.282  14.266   8.202
  256    HB   VAL  38           HB       VAL  38  36.582  13.446   6.414
  257   HG11  VAL  38          HG11      VAL  38  37.065  12.185   8.282
  258   HG12  VAL  38          HG12      VAL  38  35.817  11.156   7.577
  259   HG13  VAL  38          HG13      VAL  38  35.411  12.261   8.891
  260   HG21  VAL  38          HG21      VAL  38  34.476  13.422   5.237
  261   HG22  VAL  38          HG22      VAL  38  33.659  12.663   6.602
  262   HG23  VAL  38          HG23      VAL  38  34.847  11.753   5.669
  263    H    PHE  39           HN       PHE  39  36.890  16.388   7.667
  264    HA   PHE  39           HA       PHE  39  38.529  15.517   9.877
  265    HB2  PHE  39           HB2      PHE  39  39.740  16.618   8.193
  266    HB3  PHE  39           HB1      PHE  39  38.541  17.904   8.046
  267    HD1  PHE  39           HD1      PHE  39  40.483  16.361  10.869
  268    HD2  PHE  39           HD2      PHE  39  39.301  19.961   8.844
  269    HE1  PHE  39           HE1      PHE  39  41.732  17.709  12.534
  270    HE2  PHE  39           HE2      PHE  39  40.550  21.306  10.509
  271    HZ   PHE  39           HZ       PHE  39  41.766  20.181  12.354
  272    H    LEU  40           HN       LEU  40  35.675  17.329   9.551
  273    HA   LEU  40           HA       LEU  40  35.907  18.217  12.349
  274    HB2  LEU  40           HB2      LEU  40  34.740  20.348  11.693
  275    HB3  LEU  40           HB1      LEU  40  36.392  20.208  11.089
  276    HG   LEU  40           HG       LEU  40  34.423  19.040   9.266
  277   HD11  LEU  40          HD11      LEU  40  33.598  21.294   8.496
  278   HD12  LEU  40          HD12      LEU  40  34.270  21.983   9.974
  279   HD13  LEU  40          HD13      LEU  40  32.966  20.799  10.067
  280   HD21  LEU  40          HD21      LEU  40  36.505  21.231   8.973
  281   HD22  LEU  40          HD22      LEU  40  35.703  20.389   7.647
  282   HD23  LEU  40          HD23      LEU  40  36.794  19.510   8.717
  283    H    LEU  41           HN       LEU  41  34.188  16.673   9.912
  284    HA   LEU  41           HA       LEU  41  31.800  16.543  11.629
  285    HB2  LEU  41           HB2      LEU  41  31.912  17.313   8.728
  286    HB3  LEU  41           HB1      LEU  41  30.488  16.500   9.379
  287    HG   LEU  41           HG       LEU  41  31.599  18.837  10.883
  288   HD11  LEU  41          HD11      LEU  41  31.523  19.642   8.566
  289   HD12  LEU  41          HD12      LEU  41  30.212  20.364   9.499
  290   HD13  LEU  41          HD13      LEU  41  29.878  19.032   8.392
  291   HD21  LEU  41          HD21      LEU  41  29.457  18.939  11.771
  292   HD22  LEU  41          HD22      LEU  41  29.559  17.216  11.413
  293   HD23  LEU  41          HD23      LEU  41  28.708  18.295  10.309
  294    H    GLY  42           HN       GLY  42  33.353  14.549  11.961
  295    HA2  GLY  42           HA2      GLY  42  32.030  12.255  11.132
  296    HA3  GLY  42           HA1      GLY  42  33.349  12.494   9.988
  297    H    THR  43           HN       THR  43  34.969  13.812  12.141
  298    HA   THR  43           HA       THR  43  35.674  11.416  13.725
  299    HB   THR  43           HB       THR  43  37.408  13.205  12.057
  300    HG1  THR  43           HG1      THR  43  36.913  11.219  11.218
  301   HG21  THR  43          HG21      THR  43  38.128  11.858  14.653
  302   HG22  THR  43          HG22      THR  43  38.529  13.487  14.106
  303   HG23  THR  43          HG23      THR  43  39.336  12.093  13.391
  304    H    THR  44           HN       THR  44  36.028  14.945  13.434
  305    HA   THR  44           HA       THR  44  37.052  15.601  15.887
  306    HB   THR  44           HB       THR  44  35.033  16.953  14.126
  307    HG1  THR  44           HG1      THR  44  37.727  17.173  14.819
  308   HG21  THR  44          HG21      THR  44  34.249  17.738  16.197
  309   HG22  THR  44          HG22      THR  44  35.439  18.955  15.734
  310   HG23  THR  44          HG23      THR  44  35.858  17.717  16.918
  311    H    GLY  45           HN       GLY  45  33.816  14.485  15.141
  312    HA2  GLY  45           HA2      GLY  45  32.287  15.176  17.274
  313    HA3  GLY  45           HA1      GLY  45  32.233  13.564  16.567
  314    H    ASN  46           HN       ASN  46  33.606  11.911  17.457
  315    HA   ASN  46           HA       ASN  46  34.886  12.474  20.026
  316    HB2  ASN  46           HB2      ASN  46  32.263  11.564  19.975
  317    HB3  ASN  46           HB1      ASN  46  33.209  10.096  20.213
  318   HD21  ASN  46          HD21      ASN  46  33.596  13.492  21.396
  319   HD22  ASN  46          HD22      ASN  46  33.750  13.050  23.027
  320    H    GLY  47           HN       GLY  47  35.373  11.388  17.157
  321    HA2  GLY  47           HA2      GLY  47  36.414   8.721  17.735
  322    HA3  GLY  47           HA1      GLY  47  36.398   9.520  16.166
  323    H    LEU  48           HN       LEU  48  37.626  10.830  19.214
  324    HA   LEU  48           HA       LEU  48  40.252  11.178  17.927
  325    HB2  LEU  48           HB2      LEU  48  39.253  12.424  20.495
  326    HB3  LEU  48           HB1      LEU  48  40.667  12.897  19.553
  327    HG   LEU  48           HG       LEU  48  37.788  13.052  18.612
  328   HD11  LEU  48          HD11      LEU  48  39.032  15.573  18.565
  329   HD12  LEU  48          HD12      LEU  48  39.488  14.862  20.113
  330   HD13  LEU  48          HD13      LEU  48  37.785  15.032  19.688
  331   HD21  LEU  48          HD21      LEU  48  40.453  13.514  17.298
  332   HD22  LEU  48          HD22      LEU  48  39.061  14.475  16.797
  333   HD23  LEU  48          HD23      LEU  48  39.018  12.717  16.651
  334    H    VAL  49           HN       VAL  49  38.696   9.081  19.986
  335    HA   VAL  49           HA       VAL  49  41.092   8.525  21.601
  336    HB   VAL  49           HB       VAL  49  38.235   7.554  21.819
  337   HG11  VAL  49          HG11      VAL  49  39.412   5.713  22.627
  338   HG12  VAL  49          HG12      VAL  49  39.275   6.693  24.087
  339   HG13  VAL  49          HG13      VAL  49  40.777   6.693  23.163
  340   HG21  VAL  49          HG21      VAL  49  38.055   8.995  23.653
  341   HG22  VAL  49          HG22      VAL  49  39.064   9.939  22.558
  342   HG23  VAL  49          HG23      VAL  49  39.799   9.060  23.898
  343    H    LEU  50           HN       LEU  50  39.788   7.633  18.698
  344    HA   LEU  50           HA       LEU  50  41.226   5.063  18.759
  345    HB2  LEU  50           HB2      LEU  50  39.318   4.237  17.193
  346    HB3  LEU  50           HB1      LEU  50  39.042   4.247  18.936
  347    HG   LEU  50           HG       LEU  50  38.383   6.769  17.527
  348   HD11  LEU  50          HD11      LEU  50  37.471   5.343  15.857
  349   HD12  LEU  50          HD12      LEU  50  36.111   5.733  16.911
  350   HD13  LEU  50          HD13      LEU  50  36.917   4.170  17.052
  351   HD21  LEU  50          HD21      LEU  50  36.701   6.889  19.178
  352   HD22  LEU  50          HD22      LEU  50  38.025   6.072  20.009
  353   HD23  LEU  50          HD23      LEU  50  36.661   5.139  19.392
  354    H    TRP  51           HN       TRP  51  41.176   8.009  17.526
  355    HA   TRP  51           HA       TRP  51  41.516   7.303  14.706
  356    HB2  TRP  51           HB2      TRP  51  40.383   9.313  14.790
  357    HB3  TRP  51           HB1      TRP  51  41.226   9.848  16.244
  358    HD1  TRP  51           HD1      TRP  51  42.392   8.857  12.680
  359    HE1  TRP  51           HE1      TRP  51  44.068  10.641  11.869
  360    HE3  TRP  51           HE3      TRP  51  42.397  11.971  16.727
  361    HZ2  TRP  51           HZ2      TRP  51  45.254  13.067  12.811
  362    HZ3  TRP  51           HZ3      TRP  51  43.808  14.008  16.744
  363    HH2  TRP  51           HH2      TRP  51  45.235  14.559  14.793
  364    H    THR  52           HN       THR  52  43.388   9.592  16.662
  365    HA   THR  52           HA       THR  52  45.818   9.020  15.313
  366    HB   THR  52           HB       THR  52  45.401  11.178  16.409
  367    HG1  THR  52           HG1      THR  52  47.448  10.382  17.995
  368   HG21  THR  52          HG21      THR  52  45.666   9.657  19.015
  369   HG22  THR  52          HG22      THR  52  44.126  10.189  18.340
  370   HG23  THR  52          HG23      THR  52  45.338  11.378  18.818
  371    H    VAL  53           HN       VAL  53  44.339   7.791  18.250
  372    HA   VAL  53           HA       VAL  53  46.581   6.546  19.402
  373    HB   VAL  53           HB       VAL  53  43.660   5.756  19.489
  374   HG11  VAL  53          HG11      VAL  53  46.081   4.820  21.041
  375   HG12  VAL  53          HG12      VAL  53  44.905   3.838  20.167
  376   HG13  VAL  53          HG13      VAL  53  44.440   4.647  21.664
  377   HG21  VAL  53          HG21      VAL  53  45.106   7.951  20.582
  378   HG22  VAL  53          HG22      VAL  53  44.743   6.855  21.915
  379   HG23  VAL  53          HG23      VAL  53  43.437   7.487  20.914
  380    H    PHE  54           HN       PHE  54  44.499   5.610  16.752
  381    HA   PHE  54           HA       PHE  54  45.173   2.867  16.626
  382    HB2  PHE  54           HB2      PHE  54  43.393   4.395  15.315
  383    HB3  PHE  54           HB1      PHE  54  44.660   4.326  14.091
  384    HD1  PHE  54           HD2      PHE  54  42.243   2.363  16.059
  385    HD2  PHE  54           HD1      PHE  54  45.308   2.214  13.054
  386    HE1  PHE  54           HE2      PHE  54  41.542   0.061  15.459
  387    HE2  PHE  54           HE1      PHE  54  44.606  -0.088  12.453
  388    HZ   PHE  54           HZ       PHE  54  42.723  -1.164  13.656
  389    H    ARG  55           HN       ARG  55  46.750   5.768  15.431
  390    HA   ARG  55           HA       ARG  55  48.622   4.424  13.737
  391    HB2  ARG  55           HB2      ARG  55  48.457   7.192  14.908
  392    HB3  ARG  55           HB1      ARG  55  49.872   6.667  13.995
  393    HG2  ARG  55           HG2      ARG  55  48.197   7.806  12.550
  394    HG3  ARG  55           HG1      ARG  55  48.469   6.132  12.064
  395    HD2  ARG  55           HD2      ARG  55  46.422   5.407  12.971
  396    HD3  ARG  55           HD1      ARG  55  46.268   6.831  13.996
  397    HE   ARG  55           HE       ARG  55  45.265   7.920  12.215
  398   HH11  ARG  55          HH21      ARG  55  47.049   5.165  11.123
  399   HH12  ARG  55          HH22      ARG  55  46.504   5.289   9.483
  400   HH21  ARG  55          HH11      ARG  55  44.546   8.090  10.067
  401   HH22  ARG  55          HH12      ARG  55  45.087   6.945   8.885
  402    H    LYS  56           HN       LYS  56  48.297   4.582  17.073
  403    HA   LYS  56           HA       LYS  56  51.184   4.313  17.571
  404    HB2  LYS  56           HB2      LYS  56  48.809   4.984  19.255
  405    HB3  LYS  56           HB1      LYS  56  50.196   4.216  20.029
  406    HG2  LYS  56           HG2      LYS  56  50.323   6.713  20.067
  407    HG3  LYS  56           HG1      LYS  56  51.678   5.970  19.215
  408    HD2  LYS  56           HD2      LYS  56  50.872   6.601  17.112
  409    HD3  LYS  56           HD1      LYS  56  49.215   6.776  17.690
  410    HE2  LYS  56           HE2      LYS  56  49.593   8.877  18.566
  411    HE3  LYS  56           HE1      LYS  56  51.296   8.551  18.891
  412    HZ1  LYS  56           HZ1      LYS  56  50.028   9.548  16.485
  413    HZ2  LYS  56           HZ2      LYS  56  51.229   8.373  16.230
  414    HZ3  LYS  56           HZ3      LYS  56  51.600   9.802  17.071
  415    H    LYS  57           HN       LYS  57  48.149   2.690  18.537
  416    HA   LYS  57           HA       LYS  57  49.082   0.426  19.713
  417    HB2  LYS  57           HB2      LYS  57  46.693   0.880  19.411
  418    HB3  LYS  57           HB1      LYS  57  46.839   0.564  17.682
  419    HG2  LYS  57           HG2      LYS  57  47.125  -1.719  17.980
  420    HG3  LYS  57           HG1      LYS  57  47.783  -1.528  19.606
  421    HD2  LYS  57           HD2      LYS  57  44.957  -0.677  19.135
  422    HD3  LYS  57           HD1      LYS  57  45.296  -2.406  19.221
  423    HE2  LYS  57           HE2      LYS  57  46.314  -0.482  21.315
  424    HE3  LYS  57           HE1      LYS  57  44.721  -1.230  21.436
  425    HZ1  LYS  57           HZ1      LYS  57  46.732  -3.139  20.788
  426    HZ2  LYS  57           HZ2      LYS  57  45.621  -3.138  22.074
  427    HZ3  LYS  57           HZ3      LYS  57  47.106  -2.326  22.229
  428    H    GLY  58           HN       GLY  58  49.097   1.156  16.267
  429    HA2  GLY  58           HA2      GLY  58  50.453   0.273  14.602
  430    HA3  GLY  58           HA1      GLY  58  51.157  -0.811  15.799
  431    H    HIS  59           HN       HIS  59  49.834  -2.682  16.470
  432    HA   HIS  59           HA       HIS  59  47.566  -3.495  14.937
  433    HB2  HIS  59           HB2      HIS  59  49.071  -5.560  14.072
  434    HB3  HIS  59           HB1      HIS  59  48.769  -4.118  13.102
  435    HD2  HIS  59           HD2      HIS  59  51.356  -4.051  16.081
  436    HE1  HIS  59           HE1      HIS  59  53.478  -3.600  12.460
  437    HE2  HIS  59           HE2      HIS  59  53.678  -3.564  14.991
  438    H    HIS  60           HN       HIS  60  46.449  -4.685  16.330
  439    HA   HIS  60           HA       HIS  60  47.664  -6.885  17.750
  440    HB2  HIS  60           HB2      HIS  60  47.884  -4.517  19.055
  441    HB3  HIS  60           HB1      HIS  60  46.304  -5.051  19.629
  442    HD2  HIS  60           HD2      HIS  60  47.262  -8.358  19.594
  443    HE1  HIS  60           HE1      HIS  60  49.881  -7.019  22.623
  444    HE2  HIS  60           HE2      HIS  60  48.812  -9.069  21.572
  445    H    HIS  61           HN       HIS  61  44.848  -4.729  17.516
  446    HA   HIS  61           HA       HIS  61  42.853  -6.286  18.563
  447    HB2  HIS  61           HB2      HIS  61  42.988  -4.025  16.892
  448    HB3  HIS  61           HB1      HIS  61  41.941  -5.175  16.061
  449    HD2  HIS  61           HD2      HIS  61  40.199  -6.436  18.436
  450    HE1  HIS  61           HE1      HIS  61  39.543  -2.488  19.780
  451    HE2  HIS  61           HE2      HIS  61  38.729  -4.888  19.939
  452    H    HIS  62           HN       HIS  62  41.278  -7.716  17.588
  453    HA   HIS  62           HA       HIS  62  42.169  -9.140  15.178
  454    HB2  HIS  62           HB2      HIS  62  41.885 -11.317  16.273
  455    HB3  HIS  62           HB1      HIS  62  43.126 -10.368  17.091
  456    HD2  HIS  62           HD2      HIS  62  40.767 -12.634  18.467
  457    HE1  HIS  62           HE1      HIS  62  39.978  -9.210  20.808
  458    HE2  HIS  62           HE2      HIS  62  39.649 -11.722  20.643
  459    H    HIS  63           HN       HIS  63  40.393 -11.072  14.928
  460    HA   HIS  63           HA       HIS  63  37.723 -10.385  15.690
  461    HB2  HIS  63           HB2      HIS  63  37.964  -8.620  14.058
  462    HB3  HIS  63           HB1      HIS  63  38.608  -9.751  12.867
  463    HD2  HIS  63           HD2      HIS  63  35.286 -10.212  15.020
  464    HE1  HIS  63           HE1      HIS  63  34.333 -10.486  10.918
  465    HE2  HIS  63           HE2      HIS  63  33.399 -10.662  13.272
  466    H    HIS  64           HN       HIS  64  38.534 -12.703  16.214
  467    HA   HIS  64           HA       HIS  64  38.928 -14.746  14.466
  468    HB2  HIS  64           HB2      HIS  64  38.805 -15.057  16.902
  469    HB3  HIS  64           HB1      HIS  64  37.059 -14.816  16.848
  470    HD2  HIS  64           HD2      HIS  64  37.151 -17.667  17.807
  471    HE1  HIS  64           HE1      HIS  64  37.721 -19.111  13.881
  472    HE2  HIS  64           HE2      HIS  64  37.101 -19.767  16.254
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  52.817 -14.688 -33.467
    2    H2   MET   1           HT2      MET   1  52.171 -16.258 -33.547
    3    H3   MET   1           HT3      MET   1  52.975 -15.736 -32.143
    4    HA   MET   1           HA       MET   1  51.241 -14.478 -31.413
    5    HB2  MET   1           HB2      MET   1  50.261 -14.387 -34.283
    6    HB3  MET   1           HB1      MET   1  49.549 -13.523 -32.919
    7    HG2  MET   1           HG2      MET   1  52.185 -12.775 -32.738
    8    HG3  MET   1           HG1      MET   1  51.963 -12.891 -34.484
    9    HE1  MET   1           HE1      MET   1  51.264 -10.419 -31.368
   10    HE2  MET   1           HE2      MET   1  50.469 -11.989 -31.270
   11    HE3  MET   1           HE3      MET   1  49.502 -10.532 -31.485
   12    H    GLU   2           HN       GLU   2  51.151 -16.786 -30.631
   13    HA   GLU   2           HA       GLU   2  48.932 -18.316 -31.813
   14    HB2  GLU   2           HB2      GLU   2  51.111 -19.056 -29.857
   15    HB3  GLU   2           HB1      GLU   2  49.753 -20.118 -30.232
   16    HG2  GLU   2           HG2      GLU   2  51.219 -18.962 -32.548
   17    HG3  GLU   2           HG1      GLU   2  52.066 -20.192 -31.611
   18    H    GLU   3           HN       GLU   3  47.548 -16.504 -30.876
   19    HA   GLU   3           HA       GLU   3  47.151 -15.981 -28.206
   20    HB2  GLU   3           HB2      GLU   3  45.036 -16.321 -30.346
   21    HB3  GLU   3           HB1      GLU   3  44.787 -15.527 -28.791
   22    HG2  GLU   3           HG2      GLU   3  46.306 -13.776 -29.323
   23    HG3  GLU   3           HG1      GLU   3  46.963 -14.660 -30.699
   24    H    GLY   4           HN       GLY   4  45.564 -16.786 -26.675
   25    HA2  GLY   4           HA2      GLY   4  44.205 -18.446 -25.716
   26    HA3  GLY   4           HA1      GLY   4  44.587 -19.510 -27.067
   27    H    GLY   5           HN       GLY   5  46.870 -17.737 -25.026
   28    HA2  GLY   5           HA2      GLY   5  48.208 -20.270 -24.393
   29    HA3  GLY   5           HA1      GLY   5  48.886 -18.659 -24.186
   30    H    ASP   6           HN       ASP   6  46.332 -20.798 -22.936
   31    HA   ASP   6           HA       ASP   6  45.301 -20.869 -20.866
   32    HB2  ASP   6           HB2      ASP   6  47.884 -21.621 -20.658
   33    HB3  ASP   6           HB1      ASP   6  47.874 -20.272 -19.523
   34    H    PHE   7           HN       PHE   7  45.803 -18.128 -22.140
   35    HA   PHE   7           HA       PHE   7  44.863 -16.597 -19.860
   36    HB2  PHE   7           HB2      PHE   7  47.605 -16.321 -20.943
   37    HB3  PHE   7           HB1      PHE   7  46.722 -14.815 -20.690
   38    HD1  PHE   7           HD2      PHE   7  45.600 -14.441 -18.409
   39    HD2  PHE   7           HD1      PHE   7  48.551 -17.481 -19.117
   40    HE1  PHE   7           HE2      PHE   7  46.021 -14.600 -15.970
   41    HE2  PHE   7           HE1      PHE   7  48.972 -17.639 -16.678
   42    HZ   PHE   7           HZ       PHE   7  47.707 -16.199 -15.105
   43    H    ASP   8           HN       ASP   8  43.247 -15.376 -20.577
   44    HA   ASP   8           HA       ASP   8  43.438 -13.823 -22.980
   45    HB2  ASP   8           HB2      ASP   8  42.223 -16.460 -23.090
   46    HB3  ASP   8           HB1      ASP   8  41.076 -15.195 -23.531
   47    H    ASN   9           HN       ASN   9  41.563 -15.077 -20.300
   48    HA   ASN   9           HA       ASN   9  39.707 -12.800 -20.469
   49    HB2  ASN   9           HB2      ASN   9  39.188 -15.409 -19.958
   50    HB3  ASN   9           HB1      ASN   9  39.393 -14.803 -18.315
   51   HD21  ASN   9          HD21      ASN   9  38.212 -12.442 -18.126
   52   HD22  ASN   9          HD22      ASN   9  36.620 -12.439 -18.712
   53    H    TYR  10           HN       TYR  10  42.642 -13.451 -19.153
   54    HA   TYR  10           HA       TYR  10  43.905 -12.384 -17.555
   55    HB2  TYR  10           HB2      TYR  10  41.640 -10.602 -16.774
   56    HB3  TYR  10           HB1      TYR  10  43.351 -10.223 -16.980
   57    HD1  TYR  10           HD2      TYR  10  43.963 -11.278 -19.634
   58    HD2  TYR  10           HD1      TYR  10  40.460  -9.211 -18.253
   59    HE1  TYR  10           HE2      TYR  10  43.513 -10.497 -21.944
   60    HE2  TYR  10           HE1      TYR  10  40.011  -8.429 -20.564
   61    HH   TYR  10           HH       TYR  10  41.905  -9.590 -23.296
   62    H    TYR  11           HN       TYR  11  40.584 -12.200 -16.256
   63    HA   TYR  11           HA       TYR  11  39.626 -13.302 -14.457
   64    HB2  TYR  11           HB2      TYR  11  41.428 -15.133 -15.205
   65    HB3  TYR  11           HB1      TYR  11  42.155 -14.656 -13.672
   66    HD1  TYR  11           HD2      TYR  11  40.598 -14.572 -11.598
   67    HD2  TYR  11           HD1      TYR  11  39.619 -16.635 -15.237
   68    HE1  TYR  11           HE2      TYR  11  38.920 -15.930 -10.377
   69    HE2  TYR  11           HE1      TYR  11  37.941 -17.992 -14.015
   70    HH   TYR  11           HH       TYR  11  37.545 -18.728 -11.648
   71    H    GLY  12           HN       GLY  12  39.315 -11.587 -13.133
   72    HA2  GLY  12           HA2      GLY  12  39.594 -10.307 -11.232
   73    HA3  GLY  12           HA1      GLY  12  41.007 -11.284 -10.846
   74    H    ALA  13           HN       ALA  13  42.829 -10.875 -12.643
   75    HA   ALA  13           HA       ALA  13  44.487  -9.413 -13.269
   76    HB1  ALA  13           HB1      ALA  13  43.711  -7.439 -14.563
   77    HB2  ALA  13           HB2      ALA  13  42.060  -7.781 -14.047
   78    HB3  ALA  13           HB3      ALA  13  42.921  -8.932 -15.067
   79    H    ASP  14           HN       ASP  14  42.218  -6.837 -12.481
   80    HA   ASP  14           HA       ASP  14  44.013  -5.282 -11.042
   81    HB2  ASP  14           HB2      ASP  14  42.140  -4.071 -11.560
   82    HB3  ASP  14           HB1      ASP  14  41.050  -5.421 -11.251
   83    H    ASN  15           HN       ASN  15  41.834  -7.826  -9.910
   84    HA   ASN  15           HA       ASN  15  41.886  -7.573  -7.201
   85    HB2  ASN  15           HB2      ASN  15  40.762  -9.422  -8.362
   86    HB3  ASN  15           HB1      ASN  15  42.326 -10.144  -8.739
   87   HD21  ASN  15          HD21      ASN  15  41.633  -8.554  -5.635
   88   HD22  ASN  15          HD22      ASN  15  41.705  -9.972  -4.705
   89    H    GLN  16           HN       GLN  16  44.520  -8.717  -9.258
   90    HA   GLN  16           HA       GLN  16  46.253  -9.017  -6.900
   91    HB2  GLN  16           HB2      GLN  16  47.018  -9.656  -9.742
   92    HB3  GLN  16           HB1      GLN  16  47.691 -10.308  -8.248
   93    HG2  GLN  16           HG2      GLN  16  45.216 -11.142  -7.859
   94    HG3  GLN  16           HG1      GLN  16  45.105 -10.976  -9.610
   95   HE21  GLN  16          HE21      GLN  16  45.765 -13.246  -7.294
   96   HE22  GLN  16          HE22      GLN  16  46.817 -14.249  -8.170
   97    H    SER  17           HN       SER  17  45.504  -6.396  -7.534
   98    HA   SER  17           HA       SER  17  48.123  -5.279  -8.283
   99    HB2  SER  17           HB2      SER  17  46.702  -5.125 -10.283
  100    HB3  SER  17           HB1      SER  17  45.464  -4.295  -9.344
  101    HG   SER  17           HG       SER  17  47.938  -3.404 -10.262
  102    H    GLU  18           HN       GLU  18  48.193  -2.881  -7.721
  103    HA   GLU  18           HA       GLU  18  47.733  -2.527  -4.985
  104    HB2  GLU  18           HB2      GLU  18  48.000  -0.347  -7.069
  105    HB3  GLU  18           HB1      GLU  18  48.331  -0.204  -5.342
  106    HG2  GLU  18           HG2      GLU  18  50.475  -0.604  -6.092
  107    HG3  GLU  18           HG1      GLU  18  49.942  -2.269  -5.858
  108    H    CYS  19           HN       CYS  19  45.572  -3.082  -4.527
  109    HA   CYS  19           HA       CYS  19  43.486  -1.322  -5.621
  110    HB2  CYS  19           HB2      CYS  19  43.382  -3.959  -5.403
  111    HB3  CYS  19           HB1      CYS  19  42.882  -3.576  -3.756
  112    HG   CYS  19           HG       CYS  19  41.130  -3.302  -6.176
  113    H    GLU  20           HN       GLU  20  45.477  -0.422  -3.650
  114    HA   GLU  20           HA       GLU  20  43.579   0.570  -1.646
  115    HB2  GLU  20           HB2      GLU  20  46.277  -0.315  -0.693
  116    HB3  GLU  20           HB1      GLU  20  44.777  -0.125   0.214
  117    HG2  GLU  20           HG2      GLU  20  43.833  -2.074  -1.052
  118    HG3  GLU  20           HG1      GLU  20  45.417  -2.310  -1.786
  119    H    TYR  21           HN       TYR  21  46.762   0.738  -3.160
  120    HA   TYR  21           HA       TYR  21  47.217   3.435  -2.139
  121    HB2  TYR  21           HB2      TYR  21  48.886   1.748  -4.019
  122    HB3  TYR  21           HB1      TYR  21  49.382   3.264  -3.263
  123    HD1  TYR  21           HD1      TYR  21  49.286   3.370  -0.666
  124    HD2  TYR  21           HD2      TYR  21  49.262  -0.290  -2.915
  125    HE1  TYR  21           HE1      TYR  21  50.026   2.128   1.349
  126    HE2  TYR  21           HE2      TYR  21  50.002  -1.532  -0.900
  127    HH   TYR  21           HH       TYR  21  49.725  -0.976   1.806
  128    H    THR  22           HN       THR  22  45.295   2.276  -4.452
  129    HA   THR  22           HA       THR  22  45.574   4.700  -6.085
  130    HB   THR  22           HB       THR  22  45.700   3.593  -8.126
  131    HG1  THR  22           HG1      THR  22  44.839   1.667  -8.471
  132   HG21  THR  22          HG21      THR  22  47.517   1.995  -7.952
  133   HG22  THR  22          HG22      THR  22  47.128   1.680  -6.262
  134   HG23  THR  22          HG23      THR  22  47.762   3.254  -6.741
  135    H    ASP  23           HN       ASP  23  43.670   1.910  -5.103
  136    HA   ASP  23           HA       ASP  23  41.285   2.185  -6.341
  137    HB2  ASP  23           HB2      ASP  23  42.152   0.916  -4.043
  138    HB3  ASP  23           HB1      ASP  23  40.884   1.990  -3.457
  139    H    TRP  24           HN       TRP  24  42.707   4.492  -4.166
  140    HA   TRP  24           HA       TRP  24  40.198   6.048  -4.126
  141    HB2  TRP  24           HB2      TRP  24  41.339   7.349  -2.304
  142    HB3  TRP  24           HB1      TRP  24  41.037   5.658  -1.910
  143    HD1  TRP  24           HD1      TRP  24  43.208   3.965  -2.416
  144    HE1  TRP  24           HE1      TRP  24  45.706   4.417  -1.963
  145    HE3  TRP  24           HE3      TRP  24  43.142   9.061  -2.107
  146    HZ2  TRP  24           HZ2      TRP  24  47.446   6.645  -1.528
  147    HZ3  TRP  24           HZ3      TRP  24  45.230  10.322  -1.672
  148    HH2  TRP  24           HH2      TRP  24  47.380   9.120  -1.382
  149    H    LYS  25           HN       LYS  25  43.676   6.890  -4.088
  150    HA   LYS  25           HA       LYS  25  44.728   8.728  -5.010
  151    HB2  LYS  25           HB2      LYS  25  44.113   6.801  -6.889
  152    HB3  LYS  25           HB1      LYS  25  43.533   8.286  -7.644
  153    HG2  LYS  25           HG2      LYS  25  45.813   8.118  -8.292
  154    HG3  LYS  25           HG1      LYS  25  45.792   9.312  -6.996
  155    HD2  LYS  25           HD2      LYS  25  47.395   8.041  -6.025
  156    HD3  LYS  25           HD1      LYS  25  46.084   6.933  -5.619
  157    HE2  LYS  25           HE2      LYS  25  47.723   5.602  -6.729
  158    HE3  LYS  25           HE1      LYS  25  46.450   5.877  -7.918
  159    HZ1  LYS  25           HZ1      LYS  25  48.219   8.012  -8.098
  160    HZ2  LYS  25           HZ2      LYS  25  47.964   6.774  -9.234
  161    HZ3  LYS  25           HZ3      LYS  25  49.167   6.606  -8.046
  162    H    SER  26           HN       SER  26  44.029  10.298  -7.230
  163    HA   SER  26           HA       SER  26  41.880  11.919  -6.039
  164    HB2  SER  26           HB2      SER  26  43.016  13.462  -8.009
  165    HB3  SER  26           HB1      SER  26  43.464  13.501  -6.307
  166    HG   SER  26           HG       SER  26  45.139  12.139  -6.719
  167    H    SER  27           HN       SER  27  40.074  10.881  -6.887
  168    HA   SER  27           HA       SER  27  39.804  10.269  -9.673
  169    HB2  SER  27           HB2      SER  27  37.866  10.398  -7.369
  170    HB3  SER  27           HB1      SER  27  37.338  10.052  -9.013
  171    HG   SER  27           HG       SER  27  37.804   8.092  -8.226
  172    H    GLY  28           HN       GLY  28  40.631  12.970  -9.241
  173    HA2  GLY  28           HA2      GLY  28  39.814  14.605 -10.984
  174    HA3  GLY  28           HA1      GLY  28  38.261  14.487 -10.161
  175    H    ALA  29           HN       ALA  29  40.697  14.209  -7.905
  176    HA   ALA  29           HA       ALA  29  41.756  15.681  -6.464
  177    HB1  ALA  29           HB1      ALA  29  40.627  18.103  -7.771
  178    HB2  ALA  29           HB2      ALA  29  41.785  17.151  -8.699
  179    HB3  ALA  29           HB3      ALA  29  42.245  17.817  -7.133
  180    H    LEU  30           HN       LEU  30  39.088  14.606  -6.167
  181    HA   LEU  30           HA       LEU  30  37.677  16.762  -4.744
  182    HB2  LEU  30           HB2      LEU  30  36.859  14.120  -5.896
  183    HB3  LEU  30           HB1      LEU  30  35.919  14.797  -4.570
  184    HG   LEU  30           HG       LEU  30  35.077  15.427  -6.865
  185   HD11  LEU  30          HD11      LEU  30  34.243  17.288  -5.910
  186   HD12  LEU  30          HD12      LEU  30  35.823  18.068  -5.920
  187   HD13  LEU  30          HD13      LEU  30  35.362  17.033  -4.572
  188   HD21  LEU  30          HD21      LEU  30  36.343  16.791  -8.301
  189   HD22  LEU  30          HD22      LEU  30  37.536  15.643  -7.694
  190   HD23  LEU  30          HD23      LEU  30  37.455  17.271  -7.019
  191    H    ILE  31           HN       ILE  31  40.124  15.055  -3.926
  192    HA   ILE  31           HA       ILE  31  39.091  13.720  -1.546
  193    HB   ILE  31           HB       ILE  31  42.011  13.966  -1.886
  194   HG12  ILE  31          HG12      ILE  31  41.406  13.825  -4.245
  195   HG13  ILE  31          HG11      ILE  31  42.016  12.258  -3.723
  196   HG21  ILE  31          HG21      ILE  31  41.900  11.593  -1.333
  197   HG22  ILE  31          HG22      ILE  31  40.151  11.597  -1.555
  198   HG23  ILE  31          HG23      ILE  31  40.873  12.502  -0.225
  199   HD11  ILE  31          HD11      ILE  31  40.115  11.392  -4.582
  200   HD12  ILE  31          HD12      ILE  31  39.361  12.979  -4.713
  201   HD13  ILE  31          HD13      ILE  31  39.290  12.093  -3.192
  202    HA   PRO  32           HA       PRO  32  41.928  17.301   0.250
  203    HB2  PRO  32           HB2      PRO  32  41.172  19.438  -1.666
  204    HB3  PRO  32           HB1      PRO  32  42.751  19.073  -0.948
  205    HG2  PRO  32           HG2      PRO  32  42.210  18.544  -3.508
  206    HG3  PRO  32           HG1      PRO  32  43.260  17.501  -2.532
  207    HD2  PRO  32           HD2      PRO  32  40.424  17.055  -3.383
  208    HD3  PRO  32           HD1      PRO  32  41.743  15.879  -3.189
  209    H    ALA  33           HN       ALA  33  38.773  17.357  -1.125
  210    HA   ALA  33           HA       ALA  33  37.802  19.280   0.885
  211    HB1  ALA  33           HB1      ALA  33  36.739  20.010  -0.982
  212    HB2  ALA  33           HB2      ALA  33  35.625  18.686  -0.639
  213    HB3  ALA  33           HB3      ALA  33  36.924  18.465  -1.811
  214    H    ILE  34           HN       ILE  34  36.446  16.343  -0.620
  215    HA   ILE  34           HA       ILE  34  34.667  15.601   1.306
  216    HB   ILE  34           HB       ILE  34  36.486  13.813  -0.320
  217   HG12  ILE  34          HG12      ILE  34  33.564  14.518  -0.706
  218   HG13  ILE  34          HG11      ILE  34  34.876  15.399  -1.491
  219   HG21  ILE  34          HG21      ILE  34  34.595  12.134   0.131
  220   HG22  ILE  34          HG22      ILE  34  34.105  13.206   1.442
  221   HG23  ILE  34          HG23      ILE  34  35.698  12.451   1.468
  222   HD11  ILE  34          HD11      ILE  34  35.680  13.206  -2.438
  223   HD12  ILE  34          HD12      ILE  34  34.097  13.706  -3.034
  224   HD13  ILE  34          HD13      ILE  34  34.219  12.456  -1.796
  225    H    TYR  35           HN       TYR  35  38.145  14.864   1.286
  226    HA   TYR  35           HA       TYR  35  38.139  13.378   3.707
  227    HB2  TYR  35           HB2      TYR  35  39.953  13.365   1.947
  228    HB3  TYR  35           HB1      TYR  35  40.460  14.939   2.562
  229    HD1  TYR  35           HD1      TYR  35  39.916  11.381   3.525
  230    HD2  TYR  35           HD2      TYR  35  41.739  15.131   4.557
  231    HE1  TYR  35           HE1      TYR  35  41.179  10.266   5.345
  232    HE2  TYR  35           HE2      TYR  35  43.001  14.016   6.378
  233    HH   TYR  35           HH       TYR  35  43.651  11.980   7.183
  234    H    MET  36           HN       MET  36  38.633  16.797   2.956
  235    HA   MET  36           HA       MET  36  39.453  17.618   5.537
  236    HB2  MET  36           HB2      MET  36  39.799  19.073   3.640
  237    HB3  MET  36           HB1      MET  36  38.066  19.135   3.316
  238    HG2  MET  36           HG2      MET  36  37.632  20.498   5.151
  239    HG3  MET  36           HG1      MET  36  39.067  19.957   6.021
  240    HE1  MET  36           HE1      MET  36  41.924  21.989   4.884
  241    HE2  MET  36           HE2      MET  36  41.541  20.279   4.698
  242    HE3  MET  36           HE3      MET  36  41.113  21.113   6.191
  243    H    LEU  37           HN       LEU  37  36.252  17.758   3.961
  244    HA   LEU  37           HA       LEU  37  34.852  18.727   6.213
  245    HB2  LEU  37           HB2      LEU  37  33.734  16.978   4.012
  246    HB3  LEU  37           HB1      LEU  37  32.849  18.120   5.024
  247    HG   LEU  37           HG       LEU  37  35.045  18.841   3.060
  248   HD11  LEU  37          HD11      LEU  37  32.090  19.497   2.956
  249   HD12  LEU  37          HD12      LEU  37  32.805  18.132   2.101
  250   HD13  LEU  37          HD13      LEU  37  33.295  19.778   1.700
  251   HD21  LEU  37          HD21      LEU  37  33.464  20.383   5.099
  252   HD22  LEU  37          HD22      LEU  37  33.974  21.184   3.614
  253   HD23  LEU  37          HD23      LEU  37  35.178  20.497   4.704
  254    H    VAL  38           HN       VAL  38  34.969  15.408   4.892
  255    HA   VAL  38           HA       VAL  38  33.550  14.051   6.791
  256    HB   VAL  38           HB       VAL  38  36.119  13.195   5.440
  257   HG11  VAL  38          HG11      VAL  38  34.167  11.754   7.214
  258   HG12  VAL  38          HG12      VAL  38  35.928  11.651   7.183
  259   HG13  VAL  38          HG13      VAL  38  34.977  10.876   5.915
  260   HG21  VAL  38          HG21      VAL  38  33.415  12.162   4.720
  261   HG22  VAL  38          HG22      VAL  38  34.804  12.491   3.684
  262   HG23  VAL  38          HG23      VAL  38  33.791  13.820   4.247
  263    H    PHE  39           HN       PHE  39  36.665  15.549   7.153
  264    HA   PHE  39           HA       PHE  39  37.500  14.168   9.500
  265    HB2  PHE  39           HB2      PHE  39  38.853  15.696   7.864
  266    HB3  PHE  39           HB1      PHE  39  38.294  17.002   8.910
  267    HD1  PHE  39           HD1      PHE  39  38.938  17.082  11.288
  268    HD2  PHE  39           HD2      PHE  39  40.420  14.023   8.664
  269    HE1  PHE  39           HE1      PHE  39  40.684  16.502  12.951
  270    HE2  PHE  39           HE2      PHE  39  42.166  13.442  10.326
  271    HZ   PHE  39           HZ       PHE  39  42.298  14.682  12.470
  272    H    LEU  40           HN       LEU  40  35.826  17.260   8.964
  273    HA   LEU  40           HA       LEU  40  35.581  17.872  11.749
  274    HB2  LEU  40           HB2      LEU  40  34.052  18.931   9.359
  275    HB3  LEU  40           HB1      LEU  40  34.014  19.623  10.981
  276    HG   LEU  40           HG       LEU  40  36.691  19.186   9.736
  277   HD11  LEU  40          HD11      LEU  40  36.357  21.592   8.771
  278   HD12  LEU  40          HD12      LEU  40  34.641  21.190   8.817
  279   HD13  LEU  40          HD13      LEU  40  35.749  20.217   7.850
  280   HD21  LEU  40          HD21      LEU  40  35.607  21.575  11.237
  281   HD22  LEU  40          HD22      LEU  40  37.284  21.052  11.085
  282   HD23  LEU  40          HD23      LEU  40  36.158  20.126  12.077
  283    H    LEU  41           HN       LEU  41  34.152  15.524   9.896
  284    HA   LEU  41           HA       LEU  41  31.905  15.299  11.791
  285    HB2  LEU  41           HB2      LEU  41  31.779  15.257   8.786
  286    HB3  LEU  41           HB1      LEU  41  30.585  14.391   9.753
  287    HG   LEU  41           HG       LEU  41  31.153  17.179  10.593
  288   HD11  LEU  41          HD11      LEU  41  29.839  16.454   7.969
  289   HD12  LEU  41          HD12      LEU  41  31.116  17.636   8.258
  290   HD13  LEU  41          HD13      LEU  41  29.473  17.959   8.813
  291   HD21  LEU  41          HD21      LEU  41  29.452  15.687  11.653
  292   HD22  LEU  41          HD22      LEU  41  28.589  15.624  10.117
  293   HD23  LEU  41          HD23      LEU  41  28.738  17.154  10.983
  294    H    GLY  42           HN       GLY  42  34.642  13.993  11.117
  295    HA2  GLY  42           HA2      GLY  42  33.652  11.229  11.383
  296    HA3  GLY  42           HA1      GLY  42  34.890  11.591  10.185
  297    H    THR  43           HN       THR  43  35.215  13.606  12.847
  298    HA   THR  43           HA       THR  43  36.790  11.799  14.483
  299    HB   THR  43           HB       THR  43  38.041  13.883  12.715
  300    HG1  THR  43           HG1      THR  43  37.949  11.360  12.622
  301   HG21  THR  43          HG21      THR  43  40.094  13.462  14.264
  302   HG22  THR  43          HG22      THR  43  38.887  13.008  15.467
  303   HG23  THR  43          HG23      THR  43  38.877  14.630  14.775
  304    H    THR  44           HN       THR  44  36.273  15.258  13.759
  305    HA   THR  44           HA       THR  44  36.652  16.186  16.391
  306    HB   THR  44           HB       THR  44  35.207  17.290  13.992
  307    HG1  THR  44           HG1      THR  44  37.601  17.721  15.387
  308   HG21  THR  44          HG21      THR  44  35.257  18.323  16.819
  309   HG22  THR  44          HG22      THR  44  33.896  18.230  15.700
  310   HG23  THR  44          HG23      THR  44  35.158  19.438  15.456
  311    H    GLY  45           HN       GLY  45  33.916  14.724  14.803
  312    HA2  GLY  45           HA2      GLY  45  31.738  15.518  16.245
  313    HA3  GLY  45           HA1      GLY  45  31.974  13.855  15.715
  314    H    ASN  46           HN       ASN  46  33.732  12.696  17.170
  315    HA   ASN  46           HA       ASN  46  33.488  13.447  19.986
  316    HB2  ASN  46           HB2      ASN  46  31.869  11.407  18.763
  317    HB3  ASN  46           HB1      ASN  46  32.965  10.675  19.933
  318   HD21  ASN  46          HD21      ASN  46  31.404  13.919  19.993
  319   HD22  ASN  46          HD22      ASN  46  30.612  13.670  21.473
  320    H    GLY  47           HN       GLY  47  35.494  12.864  17.666
  321    HA2  GLY  47           HA2      GLY  47  37.111  10.724  18.782
  322    HA3  GLY  47           HA1      GLY  47  37.496  11.701  17.369
  323    H    LEU  48           HN       LEU  48  36.527  13.582  20.007
  324    HA   LEU  48           HA       LEU  48  39.325  14.357  20.509
  325    HB2  LEU  48           HB2      LEU  48  36.829  15.866  21.300
  326    HB3  LEU  48           HB1      LEU  48  38.484  16.475  21.229
  327    HG   LEU  48           HG       LEU  48  36.857  15.518  18.855
  328   HD11  LEU  48          HD11      LEU  48  37.136  18.097  20.196
  329   HD12  LEU  48          HD12      LEU  48  36.000  17.607  18.938
  330   HD13  LEU  48          HD13      LEU  48  37.610  18.177  18.498
  331   HD21  LEU  48          HD21      LEU  48  39.089  15.075  18.283
  332   HD22  LEU  48          HD22      LEU  48  39.700  16.439  19.218
  333   HD23  LEU  48          HD23      LEU  48  38.871  16.720  17.687
  334    H    VAL  49           HN       VAL  49  37.147  12.312  21.788
  335    HA   VAL  49           HA       VAL  49  37.579  13.019  24.596
  336    HB   VAL  49           HB       VAL  49  35.952  10.831  23.283
  337   HG11  VAL  49          HG11      VAL  49  35.036  10.826  25.772
  338   HG12  VAL  49          HG12      VAL  49  36.658  11.415  26.136
  339   HG13  VAL  49          HG13      VAL  49  36.444   9.859  25.333
  340   HG21  VAL  49          HG21      VAL  49  34.058  12.176  24.203
  341   HG22  VAL  49          HG22      VAL  49  35.004  13.069  23.013
  342   HG23  VAL  49          HG23      VAL  49  35.218  13.394  24.734
  343    H    LEU  50           HN       LEU  50  39.285  11.457  22.270
  344    HA   LEU  50           HA       LEU  50  40.677   9.803  24.272
  345    HB2  LEU  50           HB2      LEU  50  41.026   8.136  22.320
  346    HB3  LEU  50           HB1      LEU  50  39.473   8.126  23.156
  347    HG   LEU  50           HG       LEU  50  39.651  10.028  20.902
  348   HD11  LEU  50          HD11      LEU  50  39.848   7.033  20.512
  349   HD12  LEU  50          HD12      LEU  50  40.898   8.280  19.839
  350   HD13  LEU  50          HD13      LEU  50  39.238   8.119  19.265
  351   HD21  LEU  50          HD21      LEU  50  37.580   9.544  22.184
  352   HD22  LEU  50          HD22      LEU  50  37.671   7.858  21.673
  353   HD23  LEU  50          HD23      LEU  50  37.400   9.127  20.480
  354    H    TRP  51           HN       TRP  51  40.726  11.518  21.199
  355    HA   TRP  51           HA       TRP  51  43.333  11.164  20.374
  356    HB2  TRP  51           HB2      TRP  51  41.926  12.435  18.965
  357    HB3  TRP  51           HB1      TRP  51  41.521  13.569  20.254
  358    HD1  TRP  51           HD1      TRP  51  44.847  12.353  18.666
  359    HE1  TRP  51           HE1      TRP  51  46.326  14.422  18.241
  360    HE3  TRP  51           HE3      TRP  51  41.747  16.025  20.395
  361    HZ2  TRP  51           HZ2      TRP  51  46.210  17.258  18.589
  362    HZ3  TRP  51           HZ3      TRP  51  42.455  18.399  20.337
  363    HH2  TRP  51           HH2      TRP  51  44.681  19.020  19.436
  364    H    THR  52           HN       THR  52  42.621  14.320  21.743
  365    HA   THR  52           HA       THR  52  45.098  14.983  22.640
  366    HB   THR  52           HB       THR  52  43.487  16.666  22.851
  367    HG1  THR  52           HG1      THR  52  43.274  16.307  25.491
  368   HG21  THR  52          HG21      THR  52  41.868  14.695  24.487
  369   HG22  THR  52          HG22      THR  52  41.506  15.242  22.851
  370   HG23  THR  52          HG23      THR  52  41.412  16.375  24.200
  371    H    VAL  53           HN       VAL  53  42.697  13.063  24.413
  372    HA   VAL  53           HA       VAL  53  43.972  12.787  26.852
  373    HB   VAL  53           HB       VAL  53  42.574  10.499  25.468
  374   HG11  VAL  53          HG11      VAL  53  42.117   9.734  27.622
  375   HG12  VAL  53          HG12      VAL  53  42.277  11.339  28.335
  376   HG13  VAL  53          HG13      VAL  53  43.716  10.444  27.844
  377   HG21  VAL  53          HG21      VAL  53  41.538  13.137  26.416
  378   HG22  VAL  53          HG22      VAL  53  40.564  11.707  26.758
  379   HG23  VAL  53          HG23      VAL  53  40.969  12.120  25.092
  380    H    PHE  54           HN       PHE  54  44.598  11.098  23.818
  381    HA   PHE  54           HA       PHE  54  46.395   9.164  24.847
  382    HB2  PHE  54           HB2      PHE  54  45.226   9.355  22.504
  383    HB3  PHE  54           HB1      PHE  54  46.675  10.265  22.074
  384    HD1  PHE  54           HD1      PHE  54  45.370   6.989  23.158
  385    HD2  PHE  54           HD2      PHE  54  48.860   9.202  21.987
  386    HE1  PHE  54           HE1      PHE  54  46.630   4.867  22.904
  387    HE2  PHE  54           HE2      PHE  54  50.120   7.081  21.733
  388    HZ   PHE  54           HZ       PHE  54  49.004   4.913  22.192
  389    H    ARG  55           HN       ARG  55  46.880  12.403  23.480
  390    HA   ARG  55           HA       ARG  55  49.737  12.251  24.174
  391    HB2  ARG  55           HB2      ARG  55  48.376  14.474  22.655
  392    HB3  ARG  55           HB1      ARG  55  50.090  14.053  22.676
  393    HG2  ARG  55           HG2      ARG  55  49.638  12.911  20.769
  394    HG3  ARG  55           HG1      ARG  55  48.933  11.700  21.840
  395    HD2  ARG  55           HD2      ARG  55  46.744  12.925  21.671
  396    HD3  ARG  55           HD1      ARG  55  47.478  13.969  20.458
  397    HE   ARG  55           HE       ARG  55  46.659  11.208  20.098
  398   HH11  ARG  55          HH21      ARG  55  48.611  13.849  19.010
  399   HH12  ARG  55          HH22      ARG  55  48.752  13.258  17.389
  400   HH21  ARG  55          HH11      ARG  55  46.839  10.426  17.973
  401   HH22  ARG  55          HH12      ARG  55  47.749  11.320  16.801
  402    H    LYS  56           HN       LYS  56  47.397  12.668  26.055
  403    HA   LYS  56           HA       LYS  56  47.840  15.390  27.007
  404    HB2  LYS  56           HB2      LYS  56  45.558  14.597  27.027
  405    HB3  LYS  56           HB1      LYS  56  46.018  13.162  27.942
  406    HG2  LYS  56           HG2      LYS  56  46.847  15.691  29.199
  407    HG3  LYS  56           HG1      LYS  56  45.101  15.507  29.053
  408    HD2  LYS  56           HD2      LYS  56  46.823  13.272  30.127
  409    HD3  LYS  56           HD1      LYS  56  46.215  14.550  31.179
  410    HE2  LYS  56           HE2      LYS  56  44.183  13.374  29.390
  411    HE3  LYS  56           HE1      LYS  56  44.837  12.258  30.589
  412    HZ1  LYS  56           HZ1      LYS  56  43.006  13.364  31.571
  413    HZ2  LYS  56           HZ2      LYS  56  43.568  14.892  31.082
  414    HZ3  LYS  56           HZ3      LYS  56  44.403  14.018  32.276
  415    H    LYS  57           HN       LYS  57  48.243  12.044  28.153
  416    HA   LYS  57           HA       LYS  57  49.308  12.578  30.673
  417    HB2  LYS  57           HB2      LYS  57  50.339  10.345  30.521
  418    HB3  LYS  57           HB1      LYS  57  48.674  10.324  29.940
  419    HG2  LYS  57           HG2      LYS  57  49.406   9.484  27.987
  420    HG3  LYS  57           HG1      LYS  57  50.291  10.985  27.710
  421    HD2  LYS  57           HD2      LYS  57  51.868   9.144  27.601
  422    HD3  LYS  57           HD1      LYS  57  52.176  10.049  29.084
  423    HE2  LYS  57           HE2      LYS  57  50.215   8.127  29.743
  424    HE3  LYS  57           HE1      LYS  57  51.424   7.277  28.781
  425    HZ1  LYS  57           HZ1      LYS  57  52.977   7.528  30.357
  426    HZ2  LYS  57           HZ2      LYS  57  51.659   7.773  31.400
  427    HZ3  LYS  57           HZ3      LYS  57  52.493   9.105  30.753
  428    H    GLY  58           HN       GLY  58  50.545  13.499  27.716
  429    HA2  GLY  58           HA2      GLY  58  52.687  14.919  28.419
  430    HA3  GLY  58           HA1      GLY  58  53.362  13.292  28.450
  431    H    HIS  59           HN       HIS  59  53.182  12.009  26.452
  432    HA   HIS  59           HA       HIS  59  52.482  13.209  23.968
  433    HB2  HIS  59           HB2      HIS  59  54.669  13.573  23.020
  434    HB3  HIS  59           HB1      HIS  59  54.566  14.495  24.520
  435    HD2  HIS  59           HD2      HIS  59  55.230  11.867  26.540
  436    HE1  HIS  59           HE1      HIS  59  58.875  11.784  24.412
  437    HE2  HIS  59           HE2      HIS  59  57.692  10.997  26.517
  438    H    HIS  60           HN       HIS  60  53.975  10.730  25.861
  439    HA   HIS  60           HA       HIS  60  52.964   8.593  24.417
  440    HB2  HIS  60           HB2      HIS  60  54.224   8.819  22.515
  441    HB3  HIS  60           HB1      HIS  60  55.538   9.644  23.355
  442    HD2  HIS  60           HD2      HIS  60  54.433   5.996  22.466
  443    HE1  HIS  60           HE1      HIS  60  58.109   5.765  24.529
  444    HE2  HIS  60           HE2      HIS  60  56.394   4.439  23.206
  445    H    HIS  61           HN       HIS  61  52.809   7.294  26.132
  446    HA   HIS  61           HA       HIS  61  53.357   6.094  28.015
  447    HB2  HIS  61           HB2      HIS  61  55.609   5.874  26.157
  448    HB3  HIS  61           HB1      HIS  61  56.067   5.602  27.838
  449    HD2  HIS  61           HD2      HIS  61  52.604   4.437  26.289
  450    HE1  HIS  61           HE1      HIS  61  54.747   1.029  27.562
  451    HE2  HIS  61           HE2      HIS  61  52.538   1.846  26.612
  452    H    HIS  62           HN       HIS  62  55.153   5.974  29.845
  453    HA   HIS  62           HA       HIS  62  55.129   8.491  31.143
  454    HB2  HIS  62           HB2      HIS  62  57.004   6.247  31.863
  455    HB3  HIS  62           HB1      HIS  62  56.219   7.413  32.929
  456    HD2  HIS  62           HD2      HIS  62  53.137   7.049  32.506
  457    HE1  HIS  62           HE1      HIS  62  53.721   2.869  32.441
  458    HE2  HIS  62           HE2      HIS  62  51.991   4.711  32.702
  459    H    HIS  63           HN       HIS  63  57.380   9.200  32.191
  460    HA   HIS  63           HA       HIS  63  59.607   9.138  30.344
  461    HB2  HIS  63           HB2      HIS  63  59.649  11.466  29.802
  462    HB3  HIS  63           HB1      HIS  63  58.027  10.889  29.418
  463    HD2  HIS  63           HD2      HIS  63  59.745  13.432  31.799
  464    HE1  HIS  63           HE1      HIS  63  55.644  13.361  32.798
  465    HE2  HIS  63           HE2      HIS  63  57.844  14.570  33.181
  466    H    HIS  64           HN       HIS  64  59.360   8.288  32.993
  467    HA   HIS  64           HA       HIS  64  60.065  10.100  34.986
  468    HB2  HIS  64           HB2      HIS  64  60.550   7.174  34.570
  469    HB3  HIS  64           HB1      HIS  64  61.341   7.998  35.915
  470    HD2  HIS  64           HD2      HIS  64  57.804   6.721  34.927
  471    HE1  HIS  64           HE1      HIS  64  57.414   8.774  38.595
  472    HE2  HIS  64           HE2      HIS  64  56.222   7.276  36.928
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  57.864  -0.826  15.340
    2    H2   MET   1           HT2      MET   1  59.163  -1.471  14.453
    3    H3   MET   1           HT3      MET   1  58.590  -2.277  15.836
    4    HA   MET   1           HA       MET   1  57.049  -1.860  13.333
    5    HB2  MET   1           HB2      MET   1  58.754  -4.089  14.381
    6    HB3  MET   1           HB1      MET   1  57.300  -4.501  13.470
    7    HG2  MET   1           HG2      MET   1  58.074  -3.488  11.516
    8    HG3  MET   1           HG1      MET   1  59.179  -2.424  12.386
    9    HE1  MET   1           HE1      MET   1  62.375  -3.931  11.706
   10    HE2  MET   1           HE2      MET   1  61.572  -2.877  12.867
   11    HE3  MET   1           HE3      MET   1  61.221  -2.712  11.148
   12    H    GLU   2           HN       GLU   2  55.411  -3.952  13.500
   13    HA   GLU   2           HA       GLU   2  53.614  -3.218  15.624
   14    HB2  GLU   2           HB2      GLU   2  52.900  -3.897  13.304
   15    HB3  GLU   2           HB1      GLU   2  53.368  -5.548  13.713
   16    HG2  GLU   2           HG2      GLU   2  51.317  -5.813  14.603
   17    HG3  GLU   2           HG1      GLU   2  51.806  -4.697  15.877
   18    H    GLU   3           HN       GLU   3  55.708  -3.953  17.025
   19    HA   GLU   3           HA       GLU   3  56.337  -6.529  17.642
   20    HB2  GLU   3           HB2      GLU   3  55.791  -4.307  19.626
   21    HB3  GLU   3           HB1      GLU   3  56.704  -5.778  19.966
   22    HG2  GLU   3           HG2      GLU   3  58.420  -5.185  18.407
   23    HG3  GLU   3           HG1      GLU   3  57.446  -3.880  17.731
   24    H    GLY   4           HN       GLY   4  55.488  -8.200  18.854
   25    HA2  GLY   4           HA2      GLY   4  53.549  -8.485  20.624
   26    HA3  GLY   4           HA1      GLY   4  52.580  -8.143  19.194
   27    H    GLY   5           HN       GLY   5  53.708  -9.487  17.197
   28    HA2  GLY   5           HA2      GLY   5  52.834 -12.072  17.353
   29    HA3  GLY   5           HA1      GLY   5  54.127 -11.565  16.271
   30    H    ASP   6           HN       ASP   6  53.360 -13.681  18.685
   31    HA   ASP   6           HA       ASP   6  55.599 -13.756  20.360
   32    HB2  ASP   6           HB2      ASP   6  53.524 -15.085  20.695
   33    HB3  ASP   6           HB1      ASP   6  54.000 -16.117  19.348
   34    H    PHE   7           HN       PHE   7  55.079 -15.132  17.147
   35    HA   PHE   7           HA       PHE   7  57.963 -15.366  16.792
   36    HB2  PHE   7           HB2      PHE   7  58.041 -17.666  16.367
   37    HB3  PHE   7           HB1      PHE   7  56.988 -17.563  17.778
   38    HD1  PHE   7           HD1      PHE   7  54.435 -17.376  17.332
   39    HD2  PHE   7           HD2      PHE   7  57.281 -18.716  14.407
   40    HE1  PHE   7           HE1      PHE   7  52.609 -18.461  16.052
   41    HE2  PHE   7           HE2      PHE   7  55.454 -19.801  13.127
   42    HZ   PHE   7           HZ       PHE   7  53.119 -19.673  13.950
   43    H    ASP   8           HN       ASP   8  55.396 -14.030  15.701
   44    HA   ASP   8           HA       ASP   8  54.861 -14.916  13.106
   45    HB2  ASP   8           HB2      ASP   8  54.909 -12.059  14.103
   46    HB3  ASP   8           HB1      ASP   8  54.066 -12.645  12.670
   47    H    ASN   9           HN       ASN   9  55.903 -14.784  11.202
   48    HA   ASN   9           HA       ASN   9  58.644 -13.808  11.204
   49    HB2  ASN   9           HB2      ASN   9  58.571 -14.707   8.813
   50    HB3  ASN   9           HB1      ASN   9  58.365 -15.888  10.105
   51   HD21  ASN   9          HD21      ASN   9  55.810 -13.609   9.147
   52   HD22  ASN   9          HD22      ASN   9  54.767 -14.788   8.512
   53    H    TYR  10           HN       TYR  10  56.189 -12.006  11.278
   54    HA   TYR  10           HA       TYR  10  55.615  -9.941  10.453
   55    HB2  TYR  10           HB2      TYR  10  58.132  -9.988   8.800
   56    HB3  TYR  10           HB1      TYR  10  57.314  -8.603   9.524
   57    HD1  TYR  10           HD2      TYR  10  57.232  -8.429  12.071
   58    HD2  TYR  10           HD1      TYR  10  59.806 -11.167   9.990
   59    HE1  TYR  10           HE2      TYR  10  58.631  -8.662  14.107
   60    HE2  TYR  10           HE1      TYR  10  61.205 -11.400  12.025
   61    HH   TYR  10           HH       TYR  10  60.529  -9.486  14.947
   62    H    TYR  11           HN       TYR  11  57.405 -11.298   7.684
   63    HA   TYR  11           HA       TYR  11  56.790 -11.539   5.477
   64    HB2  TYR  11           HB2      TYR  11  55.650 -13.484   6.297
   65    HB3  TYR  11           HB1      TYR  11  54.312 -12.511   6.910
   66    HD1  TYR  11           HD2      TYR  11  56.124 -13.376   3.752
   67    HD2  TYR  11           HD1      TYR  11  52.450 -12.060   5.548
   68    HE1  TYR  11           HE2      TYR  11  54.987 -13.553   1.555
   69    HE2  TYR  11           HE1      TYR  11  51.312 -12.237   3.351
   70    HH   TYR  11           HH       TYR  11  51.507 -13.144   1.249
   71    H    GLY  12           HN       GLY  12  53.487 -10.868   6.450
   72    HA2  GLY  12           HA2      GLY  12  53.204  -8.823   4.465
   73    HA3  GLY  12           HA1      GLY  12  51.993  -9.299   5.651
   74    H    ALA  13           HN       ALA  13  55.287  -7.988   6.011
   75    HA   ALA  13           HA       ALA  13  54.394  -6.170   8.074
   76    HB1  ALA  13           HB1      ALA  13  56.920  -7.220   7.113
   77    HB2  ALA  13           HB2      ALA  13  56.525  -6.523   8.684
   78    HB3  ALA  13           HB3      ALA  13  57.003  -5.475   7.348
   79    H    ASP  14           HN       ASP  14  56.345  -5.529   5.159
   80    HA   ASP  14           HA       ASP  14  55.932  -2.812   4.990
   81    HB2  ASP  14           HB2      ASP  14  56.089  -3.325   2.394
   82    HB3  ASP  14           HB1      ASP  14  57.482  -3.543   3.451
   83    H    ASN  15           HN       ASN  15  53.648  -5.314   4.507
   84    HA   ASN  15           HA       ASN  15  51.872  -4.110   2.683
   85    HB2  ASN  15           HB2      ASN  15  51.767  -6.485   3.454
   86    HB3  ASN  15           HB1      ASN  15  51.155  -5.912   5.004
   87   HD21  ASN  15          HD21      ASN  15  50.201  -6.886   1.875
   88   HD22  ASN  15          HD22      ASN  15  48.608  -6.302   1.925
   89    H    GLN  16           HN       GLN  16  52.254  -3.767   6.174
   90    HA   GLN  16           HA       GLN  16  50.041  -1.826   6.235
   91    HB2  GLN  16           HB2      GLN  16  51.576  -2.859   8.615
   92    HB3  GLN  16           HB1      GLN  16  49.968  -2.138   8.580
   93    HG2  GLN  16           HG2      GLN  16  49.574  -4.215   6.891
   94    HG3  GLN  16           HG1      GLN  16  50.811  -4.909   7.937
   95   HE21  GLN  16          HE21      GLN  16  47.453  -4.158   7.713
   96   HE22  GLN  16          HE22      GLN  16  47.044  -4.515   9.321
   97    H    SER  17           HN       SER  17  52.365  -1.013   4.904
   98    HA   SER  17           HA       SER  17  53.176   1.218   6.625
   99    HB2  SER  17           HB2      SER  17  54.957  -0.425   6.922
  100    HB3  SER  17           HB1      SER  17  55.127  -0.587   5.177
  101    HG   SER  17           HG       SER  17  55.501   1.788   6.694
  102    H    GLU  18           HN       GLU  18  53.054   3.080   5.545
  103    HA   GLU  18           HA       GLU  18  52.050   3.448   3.039
  104    HB2  GLU  18           HB2      GLU  18  54.199   5.210   4.237
  105    HB3  GLU  18           HB1      GLU  18  52.950   5.684   3.085
  106    HG2  GLU  18           HG2      GLU  18  51.424   4.608   5.070
  107    HG3  GLU  18           HG1      GLU  18  52.761   5.269   6.008
  108    H    CYS  19           HN       CYS  19  52.788   2.107   1.431
  109    HA   CYS  19           HA       CYS  19  55.652   2.094   0.798
  110    HB2  CYS  19           HB2      CYS  19  54.029   0.024   0.834
  111    HB3  CYS  19           HB1      CYS  19  53.598   0.591  -0.780
  112    HG   CYS  19           HG       CYS  19  55.861  -1.081  -0.485
  113    H    GLU  20           HN       GLU  20  52.555   2.616  -0.905
  114    HA   GLU  20           HA       GLU  20  53.437   4.950  -2.243
  115    HB2  GLU  20           HB2      GLU  20  53.405   3.860  -4.579
  116    HB3  GLU  20           HB1      GLU  20  54.859   3.655  -3.602
  117    HG2  GLU  20           HG2      GLU  20  54.379   1.426  -3.108
  118    HG3  GLU  20           HG1      GLU  20  52.653   1.630  -3.404
  119    H    TYR  21           HN       TYR  21  51.129   3.712  -0.844
  120    HA   TYR  21           HA       TYR  21  49.083   4.426  -2.840
  121    HB2  TYR  21           HB2      TYR  21  47.655   2.574  -2.047
  122    HB3  TYR  21           HB1      TYR  21  49.150   1.978  -2.770
  123    HD1  TYR  21           HD1      TYR  21  51.121   1.460  -1.196
  124    HD2  TYR  21           HD2      TYR  21  47.086   2.004   0.170
  125    HE1  TYR  21           HE1      TYR  21  51.679   0.288   0.917
  126    HE2  TYR  21           HE2      TYR  21  47.643   0.835   2.284
  127    HH   TYR  21           HH       TYR  21  50.916   0.046   3.139
  128    H    THR  22           HN       THR  22  49.943   6.240  -1.052
  129    HA   THR  22           HA       THR  22  47.597   6.888   0.404
  130    HB   THR  22           HB       THR  22  48.374   5.160   1.948
  131    HG1  THR  22           HG1      THR  22  47.572   6.609   3.241
  132   HG21  THR  22          HG21      THR  22  50.788   5.339   1.245
  133   HG22  THR  22          HG22      THR  22  50.547   5.256   2.990
  134   HG23  THR  22          HG23      THR  22  50.902   6.803   2.221
  135    H    ASP  23           HN       ASP  23  51.048   7.327  -0.091
  136    HA   ASP  23           HA       ASP  23  51.316   9.888   1.061
  137    HB2  ASP  23           HB2      ASP  23  52.874   8.166  -0.740
  138    HB3  ASP  23           HB1      ASP  23  53.132   9.891  -0.993
  139    H    TRP  24           HN       TRP  24  49.422   8.945  -1.501
  140    HA   TRP  24           HA       TRP  24  49.222  11.721  -2.451
  141    HB2  TRP  24           HB2      TRP  24  48.925  10.738  -4.803
  142    HB3  TRP  24           HB1      TRP  24  50.567  10.800  -4.164
  143    HD1  TRP  24           HD1      TRP  24  51.327   8.430  -2.829
  144    HE1  TRP  24           HE1      TRP  24  50.924   6.005  -3.608
  145    HE3  TRP  24           HE3      TRP  24  47.498   9.186  -6.123
  146    HZ2  TRP  24           HZ2      TRP  24  49.205   4.576  -5.392
  147    HZ3  TRP  24           HZ3      TRP  24  46.497   7.278  -7.347
  148    HH2  TRP  24           HH2      TRP  24  47.346   4.975  -6.985
  149    H    LYS  25           HN       LYS  25  47.799   8.596  -3.409
  150    HA   LYS  25           HA       LYS  25  45.599   7.979  -3.692
  151    HB2  LYS  25           HB2      LYS  25  46.040   8.750  -0.994
  152    HB3  LYS  25           HB1      LYS  25  44.441   9.339  -1.450
  153    HG2  LYS  25           HG2      LYS  25  44.202   7.077  -0.612
  154    HG3  LYS  25           HG1      LYS  25  43.928   7.049  -2.354
  155    HD2  LYS  25           HD2      LYS  25  46.701   6.712  -2.048
  156    HD3  LYS  25           HD1      LYS  25  45.974   5.695  -0.804
  157    HE2  LYS  25           HE2      LYS  25  45.368   5.645  -3.773
  158    HE3  LYS  25           HE1      LYS  25  46.161   4.382  -2.832
  159    HZ1  LYS  25           HZ1      LYS  25  43.646   4.211  -3.340
  160    HZ2  LYS  25           HZ2      LYS  25  43.480   5.315  -2.060
  161    HZ3  LYS  25           HZ3      LYS  25  44.212   3.805  -1.793
  162    H    SER  26           HN       SER  26  44.826   8.988  -5.484
  163    HA   SER  26           HA       SER  26  43.101  11.297  -5.049
  164    HB2  SER  26           HB2      SER  26  44.104  12.542  -6.953
  165    HB3  SER  26           HB1      SER  26  45.209  12.379  -5.591
  166    HG   SER  26           HG       SER  26  45.663  11.684  -8.048
  167    H    SER  27           HN       SER  27  41.548   9.590  -5.490
  168    HA   SER  27           HA       SER  27  41.512   8.327  -8.082
  169    HB2  SER  27           HB2      SER  27  40.489   7.497  -5.819
  170    HB3  SER  27           HB1      SER  27  39.117   8.499  -6.283
  171    HG   SER  27           HG       SER  27  39.831   6.080  -7.185
  172    H    GLY  28           HN       GLY  28  41.727  11.034  -8.487
  173    HA2  GLY  28           HA2      GLY  28  40.270  11.853 -10.464
  174    HA3  GLY  28           HA1      GLY  28  39.026  11.956  -9.221
  175    H    ALA  29           HN       ALA  29  41.710  12.595  -7.551
  176    HA   ALA  29           HA       ALA  29  42.783  14.489  -6.805
  177    HB1  ALA  29           HB1      ALA  29  43.011  14.779  -9.414
  178    HB2  ALA  29           HB2      ALA  29  43.384  16.122  -8.333
  179    HB3  ALA  29           HB3      ALA  29  41.830  16.065  -9.164
  180    H    LEU  30           HN       LEU  30  40.376  13.982  -5.710
  181    HA   LEU  30           HA       LEU  30  39.406  16.663  -5.107
  182    HB2  LEU  30           HB2      LEU  30  37.031  15.996  -5.432
  183    HB3  LEU  30           HB1      LEU  30  37.939  16.041  -6.944
  184    HG   LEU  30           HG       LEU  30  38.288  13.439  -5.891
  185   HD11  LEU  30          HD11      LEU  30  36.288  13.967  -4.470
  186   HD12  LEU  30          HD12      LEU  30  36.008  12.645  -5.603
  187   HD13  LEU  30          HD13      LEU  30  35.366  14.251  -5.946
  188   HD21  LEU  30          HD21      LEU  30  38.190  14.121  -8.277
  189   HD22  LEU  30          HD22      LEU  30  36.464  14.436  -8.103
  190   HD23  LEU  30          HD23      LEU  30  37.081  12.792  -7.935
  191    H    ILE  31           HN       ILE  31  40.768  14.230  -3.860
  192    HA   ILE  31           HA       ILE  31  38.880  13.323  -1.870
  193    HB   ILE  31           HB       ILE  31  41.835  12.927  -1.605
  194   HG12  ILE  31          HG12      ILE  31  41.411  12.538  -3.988
  195   HG13  ILE  31          HG11      ILE  31  41.655  10.997  -3.169
  196   HG21  ILE  31          HG21      ILE  31  39.417  11.154  -1.158
  197   HG22  ILE  31          HG22      ILE  31  40.279  12.045   0.096
  198   HG23  ILE  31          HG23      ILE  31  41.087  10.739  -0.771
  199   HD11  ILE  31          HD11      ILE  31  38.986  12.220  -3.941
  200   HD12  ILE  31          HD12      ILE  31  39.169  10.741  -3.000
  201   HD13  ILE  31          HD13      ILE  31  39.743  10.803  -4.664
  202    HA   PRO  32           HA       PRO  32  41.824  16.222   0.781
  203    HB2  PRO  32           HB2      PRO  32  42.001  18.495  -1.116
  204    HB3  PRO  32           HB1      PRO  32  43.253  17.794  -0.074
  205    HG2  PRO  32           HG2      PRO  32  43.255  17.438  -2.721
  206    HG3  PRO  32           HG1      PRO  32  43.813  16.184  -1.601
  207    HD2  PRO  32           HD2      PRO  32  41.230  16.351  -3.109
  208    HD3  PRO  32           HD1      PRO  32  42.212  14.925  -2.710
  209    H    ALA  33           HN       ALA  33  39.197  16.957  -1.331
  210    HA   ALA  33           HA       ALA  33  38.183  19.134   0.328
  211    HB1  ALA  33           HB1      ALA  33  36.325  19.168  -1.325
  212    HB2  ALA  33           HB2      ALA  33  37.062  17.792  -2.144
  213    HB3  ALA  33           HB3      ALA  33  37.909  19.337  -2.080
  214    H    ILE  34           HN       ILE  34  36.922  15.994  -0.827
  215    HA   ILE  34           HA       ILE  34  34.676  15.832   0.784
  216    HB   ILE  34           HB       ILE  34  36.516  13.623  -0.160
  217   HG12  ILE  34          HG12      ILE  34  33.818  14.509  -1.216
  218   HG13  ILE  34          HG11      ILE  34  35.345  15.118  -1.857
  219   HG21  ILE  34          HG21      ILE  34  35.330  12.386   1.344
  220   HG22  ILE  34          HG22      ILE  34  34.046  12.497   0.139
  221   HG23  ILE  34          HG23      ILE  34  34.072  13.612   1.506
  222   HD11  ILE  34          HD11      ILE  34  36.048  12.840  -2.423
  223   HD12  ILE  34          HD12      ILE  34  34.490  13.191  -3.173
  224   HD13  ILE  34          HD13      ILE  34  34.566  12.190  -1.722
  225    H    TYR  35           HN       TYR  35  38.035  15.300   1.604
  226    HA   TYR  35           HA       TYR  35  37.461  14.090   4.166
  227    HB2  TYR  35           HB2      TYR  35  39.555  13.683   2.788
  228    HB3  TYR  35           HB1      TYR  35  40.078  15.299   3.264
  229    HD1  TYR  35           HD2      TYR  35  38.897  12.044   4.677
  230    HD2  TYR  35           HD1      TYR  35  41.136  15.649   5.336
  231    HE1  TYR  35           HE2      TYR  35  39.700  11.149   6.846
  232    HE2  TYR  35           HE1      TYR  35  41.940  14.755   7.505
  233    HH   TYR  35           HH       TYR  35  40.551  12.211   9.070
  234    H    MET  36           HN       MET  36  38.095  17.297   2.914
  235    HA   MET  36           HA       MET  36  38.688  18.580   5.371
  236    HB2  MET  36           HB2      MET  36  39.207  19.674   3.279
  237    HB3  MET  36           HB1      MET  36  37.510  19.653   2.799
  238    HG2  MET  36           HG2      MET  36  36.953  21.393   4.183
  239    HG3  MET  36           HG1      MET  36  38.120  20.919   5.418
  240    HE1  MET  36           HE1      MET  36  41.450  22.019   4.271
  241    HE2  MET  36           HE2      MET  36  40.452  20.810   5.076
  242    HE3  MET  36           HE3      MET  36  40.493  22.459   5.693
  243    H    LEU  37           HN       LEU  37  35.675  17.801   3.727
  244    HA   LEU  37           HA       LEU  37  34.047  19.323   5.573
  245    HB2  LEU  37           HB2      LEU  37  33.131  17.194   3.632
  246    HB3  LEU  37           HB1      LEU  37  32.177  18.506   4.325
  247    HG   LEU  37           HG       LEU  37  34.535  18.832   2.445
  248   HD11  LEU  37          HD11      LEU  37  32.635  19.871   1.028
  249   HD12  LEU  37          HD12      LEU  37  31.541  19.011   2.111
  250   HD13  LEU  37          HD13      LEU  37  32.703  18.112   1.135
  251   HD21  LEU  37          HD21      LEU  37  34.611  20.779   3.713
  252   HD22  LEU  37          HD22      LEU  37  32.886  20.734   4.075
  253   HD23  LEU  37          HD23      LEU  37  33.439  21.249   2.482
  254    H    VAL  38           HN       VAL  38  35.489  16.224   5.508
  255    HA   VAL  38           HA       VAL  38  33.570  15.074   7.397
  256    HB   VAL  38           HB       VAL  38  36.067  13.914   6.136
  257   HG11  VAL  38          HG11      VAL  38  34.614  11.794   6.976
  258   HG12  VAL  38          HG12      VAL  38  34.177  12.962   8.223
  259   HG13  VAL  38          HG13      VAL  38  35.870  12.542   7.962
  260   HG21  VAL  38          HG21      VAL  38  33.345  12.873   5.560
  261   HG22  VAL  38          HG22      VAL  38  34.724  13.074   4.479
  262   HG23  VAL  38          HG23      VAL  38  33.716  14.462   4.893
  263    H    PHE  39           HN       PHE  39  36.287  17.012   7.501
  264    HA   PHE  39           HA       PHE  39  37.696  15.937   9.717
  265    HB2  PHE  39           HB2      PHE  39  38.760  17.580   8.304
  266    HB3  PHE  39           HB1      PHE  39  37.498  18.762   8.651
  267    HD1  PHE  39           HD2      PHE  39  40.155  16.695  10.277
  268    HD2  PHE  39           HD1      PHE  39  37.666  20.188  10.523
  269    HE1  PHE  39           HE2      PHE  39  41.408  17.449  12.280
  270    HE2  PHE  39           HE1      PHE  39  38.920  20.940  12.525
  271    HZ   PHE  39           HZ       PHE  39  40.791  19.572  13.404
  272    H    LEU  40           HN       LEU  40  34.880  18.001   9.414
  273    HA   LEU  40           HA       LEU  40  34.764  18.305  12.347
  274    HB2  LEU  40           HB2      LEU  40  33.021  20.032  11.838
  275    HB3  LEU  40           HB1      LEU  40  34.610  20.412  11.174
  276    HG   LEU  40           HG       LEU  40  33.060  18.801   9.318
  277   HD11  LEU  40          HD11      LEU  40  31.107  19.845  10.301
  278   HD12  LEU  40          HD12      LEU  40  31.434  20.642   8.762
  279   HD13  LEU  40          HD13      LEU  40  31.886  21.427  10.276
  280   HD21  LEU  40          HD21      LEU  40  33.734  20.560   7.780
  281   HD22  LEU  40          HD22      LEU  40  35.094  20.201   8.843
  282   HD23  LEU  40          HD23      LEU  40  34.114  21.640   9.121
  283    H    LEU  41           HN       LEU  41  33.605  16.366   9.906
  284    HA   LEU  41           HA       LEU  41  31.303  15.548  11.560
  285    HB2  LEU  41           HB2      LEU  41  31.331  16.090   8.592
  286    HB3  LEU  41           HB1      LEU  41  30.117  15.056   9.346
  287    HG   LEU  41           HG       LEU  41  30.532  17.610  10.747
  288   HD11  LEU  41          HD11      LEU  41  29.305  18.939   9.057
  289   HD12  LEU  41          HD12      LEU  41  29.370  17.573   7.943
  290   HD13  LEU  41          HD13      LEU  41  30.858  18.385   8.431
  291   HD21  LEU  41          HD21      LEU  41  28.045  16.333   9.569
  292   HD22  LEU  41          HD22      LEU  41  28.115  17.537  10.856
  293   HD23  LEU  41          HD23      LEU  41  28.710  15.902  11.145
  294    H    GLY  42           HN       GLY  42  32.976  13.973  12.251
  295    HA2  GLY  42           HA2      GLY  42  32.601  11.427  11.509
  296    HA3  GLY  42           HA1      GLY  42  33.767  11.958  10.302
  297    H    THR  43           HN       THR  43  34.727  13.864  12.589
  298    HA   THR  43           HA       THR  43  36.274  11.863  14.114
  299    HB   THR  43           HB       THR  43  37.968  14.058  13.795
  300    HG1  THR  43           HG1      THR  43  37.866  14.619  11.732
  301   HG21  THR  43          HG21      THR  43  38.640  11.705  13.890
  302   HG22  THR  43          HG22      THR  43  39.291  12.458  12.435
  303   HG23  THR  43          HG23      THR  43  37.879  11.407  12.328
  304    H    THR  44           HN       THR  44  35.043  15.164  13.875
  305    HA   THR  44           HA       THR  44  35.853  16.257  16.269
  306    HB   THR  44           HB       THR  44  34.312  17.204  14.371
  307    HG1  THR  44           HG1      THR  44  34.693  18.735  15.750
  308   HG21  THR  44          HG21      THR  44  32.184  16.553  16.396
  309   HG22  THR  44          HG22      THR  44  32.532  15.440  15.073
  310   HG23  THR  44          HG23      THR  44  31.995  17.083  14.724
  311    H    GLY  45           HN       GLY  45  33.941  13.493  15.818
  312    HA2  GLY  45           HA2      GLY  45  32.294  13.593  18.129
  313    HA3  GLY  45           HA1      GLY  45  32.742  12.139  17.243
  314    H    ASN  46           HN       ASN  46  34.818  11.147  17.729
  315    HA   ASN  46           HA       ASN  46  35.980  11.914  20.322
  316    HB2  ASN  46           HB2      ASN  46  34.779   9.258  19.586
  317    HB3  ASN  46           HB1      ASN  46  36.080   9.356  20.772
  318   HD21  ASN  46          HD21      ASN  46  33.097  11.297  20.105
  319   HD22  ASN  46          HD22      ASN  46  32.580  11.306  21.721
  320    H    GLY  47           HN       GLY  47  37.315  12.653  18.222
  321    HA2  GLY  47           HA2      GLY  47  39.297  10.530  17.640
  322    HA3  GLY  47           HA1      GLY  47  38.935  11.873  16.560
  323    H    LEU  48           HN       LEU  48  38.770  13.689  18.973
  324    HA   LEU  48           HA       LEU  48  41.672  14.143  19.210
  325    HB2  LEU  48           HB2      LEU  48  41.167  16.441  19.626
  326    HB3  LEU  48           HB1      LEU  48  40.183  15.946  18.252
  327    HG   LEU  48           HG       LEU  48  38.536  15.341  20.373
  328   HD11  LEU  48          HD11      LEU  48  38.608  17.118  21.964
  329   HD12  LEU  48          HD12      LEU  48  39.766  18.033  21.000
  330   HD13  LEU  48          HD13      LEU  48  40.275  16.562  21.824
  331   HD21  LEU  48          HD21      LEU  48  37.714  16.438  18.425
  332   HD22  LEU  48          HD22      LEU  48  38.804  17.807  18.644
  333   HD23  LEU  48          HD23      LEU  48  37.444  17.579  19.743
  334    H    VAL  49           HN       VAL  49  38.897  13.210  20.974
  335    HA   VAL  49           HA       VAL  49  39.416  14.115  23.549
  336    HB   VAL  49           HB       VAL  49  38.141  12.154  24.315
  337   HG11  VAL  49          HG11      VAL  49  37.242  13.678  21.876
  338   HG12  VAL  49          HG12      VAL  49  36.725  13.868  23.552
  339   HG13  VAL  49          HG13      VAL  49  36.184  12.475  22.614
  340   HG21  VAL  49          HG21      VAL  49  39.184  11.067  21.839
  341   HG22  VAL  49          HG22      VAL  49  37.426  10.929  21.879
  342   HG23  VAL  49          HG23      VAL  49  38.394  10.225  23.173
  343    H    LEU  50           HN       LEU  50  41.389  12.227  21.629
  344    HA   LEU  50           HA       LEU  50  42.595  10.709  23.812
  345    HB2  LEU  50           HB2      LEU  50  43.636  10.884  20.990
  346    HB3  LEU  50           HB1      LEU  50  43.827   9.572  22.154
  347    HG   LEU  50           HG       LEU  50  41.238  10.411  20.812
  348   HD11  LEU  50          HD11      LEU  50  43.110   9.027  19.589
  349   HD12  LEU  50          HD12      LEU  50  41.432   8.492  19.495
  350   HD13  LEU  50          HD13      LEU  50  42.544   7.711  20.618
  351   HD21  LEU  50          HD21      LEU  50  41.880   8.385  22.965
  352   HD22  LEU  50          HD22      LEU  50  40.437   8.254  21.960
  353   HD23  LEU  50          HD23      LEU  50  40.663   9.661  22.999
  354    H    TRP  51           HN       TRP  51  42.723  13.817  22.893
  355    HA   TRP  51           HA       TRP  51  45.623  14.096  23.405
  356    HB2  TRP  51           HB2      TRP  51  45.470  15.278  21.474
  357    HB3  TRP  51           HB1      TRP  51  43.731  15.508  21.635
  358    HD1  TRP  51           HD1      TRP  51  46.798  16.707  23.689
  359    HE1  TRP  51           HE1      TRP  51  46.493  19.220  24.173
  360    HE3  TRP  51           HE3      TRP  51  42.347  17.531  21.327
  361    HZ2  TRP  51           HZ2      TRP  51  44.611  21.304  23.632
  362    HZ3  TRP  51           HZ3      TRP  51  41.321  19.787  21.327
  363    HH2  TRP  51           HH2      TRP  51  42.448  21.672  22.476
  364    H    THR  52           HN       THR  52  42.401  15.219  24.307
  365    HA   THR  52           HA       THR  52  43.380  17.086  26.277
  366    HB   THR  52           HB       THR  52  41.201  17.727  26.510
  367    HG1  THR  52           HG1      THR  52  39.846  15.468  25.899
  368   HG21  THR  52          HG21      THR  52  41.771  17.394  24.012
  369   HG22  THR  52          HG22      THR  52  40.074  17.607  24.440
  370   HG23  THR  52          HG23      THR  52  40.700  15.996  24.096
  371    H    VAL  53           HN       VAL  53  41.787  13.902  26.375
  372    HA   VAL  53           HA       VAL  53  41.521  13.447  29.039
  373    HB   VAL  53           HB       VAL  53  42.392  11.633  26.808
  374   HG11  VAL  53          HG11      VAL  53  41.916   9.787  28.587
  375   HG12  VAL  53          HG12      VAL  53  42.284  11.050  29.761
  376   HG13  VAL  53          HG13      VAL  53  43.501  10.561  28.582
  377   HG21  VAL  53          HG21      VAL  53  40.026  12.440  27.024
  378   HG22  VAL  53          HG22      VAL  53  39.950  11.674  28.611
  379   HG23  VAL  53          HG23      VAL  53  40.173  10.688  27.166
  380    H    PHE  54           HN       PHE  54  44.522  13.538  27.217
  381    HA   PHE  54           HA       PHE  54  46.237  12.419  29.155
  382    HB2  PHE  54           HB2      PHE  54  46.547  14.128  26.749
  383    HB3  PHE  54           HB1      PHE  54  47.876  14.156  27.909
  384    HD1  PHE  54           HD1      PHE  54  45.558  11.338  27.124
  385    HD2  PHE  54           HD2      PHE  54  49.559  12.877  26.840
  386    HE1  PHE  54           HE1      PHE  54  46.343   9.142  26.280
  387    HE2  PHE  54           HE2      PHE  54  50.344  10.681  25.997
  388    HZ   PHE  54           HZ       PHE  54  48.736   8.813  25.717
  389    H    ARG  55           HN       ARG  55  45.151  15.749  28.609
  390    HA   ARG  55           HA       ARG  55  46.742  16.808  30.772
  391    HB2  ARG  55           HB2      ARG  55  44.521  17.997  29.099
  392    HB3  ARG  55           HB1      ARG  55  45.412  18.892  30.332
  393    HG2  ARG  55           HG2      ARG  55  47.191  19.170  28.971
  394    HG3  ARG  55           HG1      ARG  55  47.202  17.464  28.527
  395    HD2  ARG  55           HD2      ARG  55  45.544  17.808  26.826
  396    HD3  ARG  55           HD1      ARG  55  45.220  19.445  27.389
  397    HE   ARG  55           HE       ARG  55  47.434  18.596  25.715
  398   HH11  ARG  55          HH21      ARG  55  46.156  20.956  27.900
  399   HH12  ARG  55          HH22      ARG  55  47.157  22.242  27.314
  400   HH21  ARG  55          HH11      ARG  55  48.747  20.279  24.940
  401   HH22  ARG  55          HH12      ARG  55  48.623  21.859  25.638
  402    H    LYS  56           HN       LYS  56  43.317  16.034  30.245
  403    HA   LYS  56           HA       LYS  56  42.506  16.872  32.869
  404    HB2  LYS  56           HB2      LYS  56  40.985  14.958  31.107
  405    HB3  LYS  56           HB1      LYS  56  40.351  16.122  32.270
  406    HG2  LYS  56           HG2      LYS  56  41.666  16.718  29.608
  407    HG3  LYS  56           HG1      LYS  56  40.000  17.057  30.080
  408    HD2  LYS  56           HD2      LYS  56  41.051  18.484  31.975
  409    HD3  LYS  56           HD1      LYS  56  42.529  18.404  31.016
  410    HE2  LYS  56           HE2      LYS  56  41.295  19.317  29.067
  411    HE3  LYS  56           HE1      LYS  56  39.844  19.442  30.061
  412    HZ1  LYS  56           HZ1      LYS  56  40.922  21.548  30.043
  413    HZ2  LYS  56           HZ2      LYS  56  42.417  20.862  30.463
  414    HZ3  LYS  56           HZ3      LYS  56  41.142  20.877  31.585
  415    H    LYS  57           HN       LYS  57  44.425  14.398  31.960
  416    HA   LYS  57           HA       LYS  57  43.504  12.061  33.085
  417    HB2  LYS  57           HB2      LYS  57  45.613  12.024  31.984
  418    HB3  LYS  57           HB1      LYS  57  46.277  13.255  33.059
  419    HG2  LYS  57           HG2      LYS  57  46.403  11.766  34.885
  420    HG3  LYS  57           HG1      LYS  57  45.283  10.623  34.143
  421    HD2  LYS  57           HD2      LYS  57  47.681   9.877  34.053
  422    HD3  LYS  57           HD1      LYS  57  46.926  10.015  32.465
  423    HE2  LYS  57           HE2      LYS  57  49.265  11.039  32.705
  424    HE3  LYS  57           HE1      LYS  57  48.022  12.077  32.007
  425    HZ1  LYS  57           HZ1      LYS  57  48.071  13.443  33.757
  426    HZ2  LYS  57           HZ2      LYS  57  49.579  12.739  34.097
  427    HZ3  LYS  57           HZ3      LYS  57  48.180  12.181  34.883
  428    H    GLY  58           HN       GLY  58  45.241  14.683  34.769
  429    HA2  GLY  58           HA2      GLY  58  45.159  15.364  36.971
  430    HA3  GLY  58           HA1      GLY  58  43.726  14.360  37.166
  431    H    HIS  59           HN       HIS  59  44.330  11.886  37.001
  432    HA   HIS  59           HA       HIS  59  46.870  11.022  37.902
  433    HB2  HIS  59           HB2      HIS  59  45.840  10.316  40.244
  434    HB3  HIS  59           HB1      HIS  59  46.618  11.884  40.025
  435    HD2  HIS  59           HD2      HIS  59  42.976  11.327  38.650
  436    HE1  HIS  59           HE1      HIS  59  42.751  13.958  41.943
  437    HE2  HIS  59           HE2      HIS  59  41.433  12.906  40.044
  438    H    HIS  60           HN       HIS  60  46.043   9.693  36.069
  439    HA   HIS  60           HA       HIS  60  44.986   7.204  37.086
  440    HB2  HIS  60           HB2      HIS  60  42.892   8.400  36.689
  441    HB3  HIS  60           HB1      HIS  60  43.401   8.780  35.044
  442    HD2  HIS  60           HD2      HIS  60  44.045   5.155  36.387
  443    HE1  HIS  60           HE1      HIS  60  40.912   4.957  33.563
  444    HE2  HIS  60           HE2      HIS  60  42.491   3.580  34.999
  445    H    HIS  61           HN       HIS  61  45.950   5.583  36.034
  446    HA   HIS  61           HA       HIS  61  47.421   4.562  34.572
  447    HB2  HIS  61           HB2      HIS  61  45.179   5.692  32.966
  448    HB3  HIS  61           HB1      HIS  61  46.567   5.043  32.091
  449    HD2  HIS  61           HD2      HIS  61  47.252   2.349  33.677
  450    HE1  HIS  61           HE1      HIS  61  43.132   1.441  33.518
  451    HE2  HIS  61           HE2      HIS  61  45.448   0.477  33.912
  452    H    HIS  62           HN       HIS  62  49.277   5.821  35.079
  453    HA   HIS  62           HA       HIS  62  49.863   8.238  33.622
  454    HB2  HIS  62           HB2      HIS  62  51.254   6.549  35.646
  455    HB3  HIS  62           HB1      HIS  62  52.245   7.600  34.634
  456    HD2  HIS  62           HD2      HIS  62  48.681   8.629  36.042
  457    HE1  HIS  62           HE1      HIS  62  51.584  11.261  37.614
  458    HE2  HIS  62           HE2      HIS  62  49.096  10.774  37.473
  459    H    HIS  63           HN       HIS  63  49.524   5.330  32.424
  460    HA   HIS  63           HA       HIS  63  51.244   5.778  30.190
  461    HB2  HIS  63           HB2      HIS  63  52.910   4.912  31.816
  462    HB3  HIS  63           HB1      HIS  63  51.951   3.439  31.977
  463    HD2  HIS  63           HD2      HIS  63  54.870   2.972  30.652
  464    HE1  HIS  63           HE1      HIS  63  52.886   2.948  26.924
  465    HE2  HIS  63           HE2      HIS  63  55.031   2.317  28.129
  466    H    HIS  64           HN       HIS  64  48.795   5.599  29.734
  467    HA   HIS  64           HA       HIS  64  47.269   3.341  29.810
  468    HB2  HIS  64           HB2      HIS  64  46.377   5.333  28.821
  469    HB3  HIS  64           HB1      HIS  64  47.594   5.315  27.545
  470    HD2  HIS  64           HD2      HIS  64  46.865   3.838  25.305
  471    HE1  HIS  64           HE1      HIS  64  43.503   1.905  26.975
  472    HE2  HIS  64           HE2      HIS  64  44.830   2.269  24.840
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  43.252 -16.542  24.709
    2    H2   MET   1           HT2      MET   1  43.023 -15.197  25.721
    3    H3   MET   1           HT3      MET   1  44.531 -15.977  25.670
    4    HA   MET   1           HA       MET   1  45.069 -15.141  23.600
    5    HB2  MET   1           HB2      MET   1  43.396 -14.168  22.087
    6    HB3  MET   1           HB1      MET   1  42.919 -15.801  22.551
    7    HG2  MET   1           HG2      MET   1  40.924 -14.766  23.000
    8    HG3  MET   1           HG1      MET   1  41.722 -14.412  24.533
    9    HE1  MET   1           HE1      MET   1  39.864 -11.243  24.162
   10    HE2  MET   1           HE2      MET   1  41.072 -11.761  25.335
   11    HE3  MET   1           HE3      MET   1  39.902 -12.923  24.716
   12    H    GLU   2           HN       GLU   2  45.947 -13.117  23.425
   13    HA   GLU   2           HA       GLU   2  44.692 -10.816  24.660
   14    HB2  GLU   2           HB2      GLU   2  46.003 -12.203  26.460
   15    HB3  GLU   2           HB1      GLU   2  47.425 -11.483  25.706
   16    HG2  GLU   2           HG2      GLU   2  45.049  -9.968  26.827
   17    HG3  GLU   2           HG1      GLU   2  46.642 -10.084  27.569
   18    H    GLU   3           HN       GLU   3  45.009 -10.771  22.137
   19    HA   GLU   3           HA       GLU   3  47.514 -10.273  20.990
   20    HB2  GLU   3           HB2      GLU   3  44.780  -9.211  20.244
   21    HB3  GLU   3           HB1      GLU   3  46.217  -9.050  19.234
   22    HG2  GLU   3           HG2      GLU   3  46.226 -11.261  18.654
   23    HG3  GLU   3           HG1      GLU   3  45.634 -11.783  20.230
   24    H    GLY   4           HN       GLY   4  48.828  -8.534  20.892
   25    HA2  GLY   4           HA2      GLY   4  49.457  -6.277  21.026
   26    HA3  GLY   4           HA1      GLY   4  47.881  -5.901  21.718
   27    H    GLY   5           HN       GLY   5  50.474  -8.163  22.660
   28    HA2  GLY   5           HA2      GLY   5  51.099  -6.651  25.043
   29    HA3  GLY   5           HA1      GLY   5  50.220  -8.143  25.361
   30    H    ASP   6           HN       ASP   6  51.169 -10.158  24.570
   31    HA   ASP   6           HA       ASP   6  53.900 -10.393  25.246
   32    HB2  ASP   6           HB2      ASP   6  52.074 -12.190  25.324
   33    HB3  ASP   6           HB1      ASP   6  52.371 -12.399  23.599
   34    H    PHE   7           HN       PHE   7  52.685  -8.928  22.618
   35    HA   PHE   7           HA       PHE   7  55.144  -8.956  21.198
   36    HB2  PHE   7           HB2      PHE   7  53.653  -9.951  19.110
   37    HB3  PHE   7           HB1      PHE   7  54.849 -10.860  20.030
   38    HD1  PHE   7           HD2      PHE   7  51.385  -9.649  20.823
   39    HD2  PHE   7           HD1      PHE   7  54.047 -13.004  20.493
   40    HE1  PHE   7           HE2      PHE   7  49.598 -11.149  21.662
   41    HE2  PHE   7           HE1      PHE   7  52.261 -14.504  21.332
   42    HZ   PHE   7           HZ       PHE   7  50.036 -13.577  21.918
   43    H    ASP   8           HN       ASP   8  54.759  -6.712  21.421
   44    HA   ASP   8           HA       ASP   8  53.221  -5.591  19.245
   45    HB2  ASP   8           HB2      ASP   8  51.741  -5.898  21.419
   46    HB3  ASP   8           HB1      ASP   8  52.581  -4.432  21.921
   47    H    ASN   9           HN       ASN   9  54.456  -4.057  18.388
   48    HA   ASN   9           HA       ASN   9  55.833  -2.131  20.066
   49    HB2  ASN   9           HB2      ASN   9  57.419  -4.058  19.936
   50    HB3  ASN   9           HB1      ASN   9  57.436  -3.873  18.183
   51   HD21  ASN   9          HD21      ASN   9  57.068  -0.844  19.715
   52   HD22  ASN   9          HD22      ASN   9  58.689  -0.349  19.640
   53    H    TYR  10           HN       TYR  10  55.305  -3.433  16.813
   54    HA   TYR  10           HA       TYR  10  54.674  -0.778  15.830
   55    HB2  TYR  10           HB2      TYR  10  57.075  -2.309  14.807
   56    HB3  TYR  10           HB1      TYR  10  56.331  -0.959  13.949
   57    HD1  TYR  10           HD2      TYR  10  56.109   1.281  15.187
   58    HD2  TYR  10           HD1      TYR  10  58.627  -1.923  16.543
   59    HE1  TYR  10           HE2      TYR  10  57.385   2.879  16.590
   60    HE2  TYR  10           HE1      TYR  10  59.903  -0.326  17.948
   61    HH   TYR  10           HH       TYR  10  58.995   2.334  18.990
   62    H    TYR  11           HN       TYR  11  55.862  -3.591  14.039
   63    HA   TYR  11           HA       TYR  11  54.839  -4.989  12.531
   64    HB2  TYR  11           HB2      TYR  11  53.414  -5.404  14.633
   65    HB3  TYR  11           HB1      TYR  11  52.216  -4.356  13.873
   66    HD1  TYR  11           HD2      TYR  11  51.291  -4.956  11.611
   67    HD2  TYR  11           HD1      TYR  11  53.766  -7.641  13.872
   68    HE1  TYR  11           HE2      TYR  11  50.527  -6.848  10.201
   69    HE2  TYR  11           HE1      TYR  11  53.002  -9.533  12.461
   70    HH   TYR  11           HH       TYR  11  51.245  -9.058   9.547
   71    H    GLY  12           HN       GLY  12  52.207  -2.662  13.127
   72    HA2  GLY  12           HA2      GLY  12  51.853  -2.279  10.273
   73    HA3  GLY  12           HA1      GLY  12  50.875  -1.570  11.554
   74    H    ALA  13           HN       ALA  13  52.682  -0.225  13.068
   75    HA   ALA  13           HA       ALA  13  53.548   1.918  13.153
   76    HB1  ALA  13           HB1      ALA  13  55.376   0.143  12.107
   77    HB2  ALA  13           HB2      ALA  13  55.738   1.788  12.627
   78    HB3  ALA  13           HB3      ALA  13  55.399   1.455  10.930
   79    H    ASP  14           HN       ASP  14  54.684   3.582  11.300
   80    HA   ASP  14           HA       ASP  14  52.475   4.810  10.095
   81    HB2  ASP  14           HB2      ASP  14  55.422   5.059   9.456
   82    HB3  ASP  14           HB1      ASP  14  54.174   6.140   8.840
   83    H    ASN  15           HN       ASN  15  54.025   1.988   9.192
   84    HA   ASN  15           HA       ASN  15  53.907   2.220   6.345
   85    HB2  ASN  15           HB2      ASN  15  54.678   0.228   8.294
   86    HB3  ASN  15           HB1      ASN  15  53.700  -0.496   7.017
   87   HD21  ASN  15          HD21      ASN  15  56.841   0.716   7.781
   88   HD22  ASN  15          HD22      ASN  15  57.491   0.628   6.216
   89    H    GLN  16           HN       GLN  16  51.960   0.183   8.541
   90    HA   GLN  16           HA       GLN  16  49.785   0.231   6.567
   91    HB2  GLN  16           HB2      GLN  16  50.012  -1.434   9.083
   92    HB3  GLN  16           HB1      GLN  16  48.878  -1.664   7.751
   93    HG2  GLN  16           HG2      GLN  16  51.214  -1.711   6.382
   94    HG3  GLN  16           HG1      GLN  16  51.756  -2.364   7.926
   95   HE21  GLN  16          HE21      GLN  16  50.776  -3.449   5.015
   96   HE22  GLN  16          HE22      GLN  16  49.945  -4.857   5.471
   97    H    SER  17           HN       SER  17  50.092   2.652   7.795
   98    HA   SER  17           HA       SER  17  47.650   2.788   9.431
   99    HB2  SER  17           HB2      SER  17  49.800   2.828  10.848
  100    HB3  SER  17           HB1      SER  17  50.084   4.417  10.141
  101    HG   SER  17           HG       SER  17  47.720   3.602  11.496
  102    H    GLU  18           HN       GLU  18  47.776   3.345   6.737
  103    HA   GLU  18           HA       GLU  18  47.558   5.004   5.136
  104    HB2  GLU  18           HB2      GLU  18  45.706   5.334   7.310
  105    HB3  GLU  18           HB1      GLU  18  46.097   6.911   6.620
  106    HG2  GLU  18           HG2      GLU  18  45.514   6.141   4.393
  107    HG3  GLU  18           HG1      GLU  18  45.271   4.498   4.984
  108    H    CYS  19           HN       CYS  19  49.603   5.830   4.797
  109    HA   CYS  19           HA       CYS  19  50.467   8.082   6.486
  110    HB2  CYS  19           HB2      CYS  19  51.971   6.046   5.876
  111    HB3  CYS  19           HB1      CYS  19  52.128   6.844   4.310
  112    HG   CYS  19           HG       CYS  19  52.751   8.573   6.807
  113    H    GLU  20           HN       GLU  20  48.301   8.487   4.695
  114    HA   GLU  20           HA       GLU  20  47.581  10.033   3.156
  115    HB2  GLU  20           HB2      GLU  20  50.344  11.220   3.127
  116    HB3  GLU  20           HB1      GLU  20  48.789  12.031   2.938
  117    HG2  GLU  20           HG2      GLU  20  48.352  11.109   5.369
  118    HG3  GLU  20           HG1      GLU  20  50.112  11.032   5.438
  119    H    TYR  21           HN       TYR  21  48.434   7.565   2.187
  120    HA   TYR  21           HA       TYR  21  49.387   8.346  -0.488
  121    HB2  TYR  21           HB2      TYR  21  50.963   6.585  -0.610
  122    HB3  TYR  21           HB1      TYR  21  51.240   7.330   0.965
  123    HD1  TYR  21           HD1      TYR  21  49.956   6.320   2.989
  124    HD2  TYR  21           HD2      TYR  21  50.506   4.285  -0.754
  125    HE1  TYR  21           HE1      TYR  21  49.496   4.152   4.100
  126    HE2  TYR  21           HE2      TYR  21  50.047   2.116   0.357
  127    HH   TYR  21           HH       TYR  21  48.823   1.324   2.402
  128    H    THR  22           HN       THR  22  46.729   7.795   0.526
  129    HA   THR  22           HA       THR  22  45.879   5.931  -1.473
  130    HB   THR  22           HB       THR  22  46.254   4.108  -0.134
  131    HG1  THR  22           HG1      THR  22  44.127   3.896  -0.229
  132   HG21  THR  22          HG21      THR  22  45.897   4.383   2.456
  133   HG22  THR  22          HG22      THR  22  46.063   6.102   2.100
  134   HG23  THR  22          HG23      THR  22  47.374   4.989   1.709
  135    H    ASP  23           HN       ASP  23  44.976   7.476   1.605
  136    HA   ASP  23           HA       ASP  23  42.211   7.739   0.902
  137    HB2  ASP  23           HB2      ASP  23  43.861   8.228   3.197
  138    HB3  ASP  23           HB1      ASP  23  42.896   9.664   2.863
  139    H    TRP  24           HN       TRP  24  45.074   9.743   0.579
  140    HA   TRP  24           HA       TRP  24  43.567  12.084  -0.242
  141    HB2  TRP  24           HB2      TRP  24  45.531  13.220  -0.046
  142    HB3  TRP  24           HB1      TRP  24  46.000  11.808   0.902
  143    HD1  TRP  24           HD1      TRP  24  47.560   9.990  -0.263
  144    HE1  TRP  24           HE1      TRP  24  49.143  10.140  -2.293
  145    HE3  TRP  24           HE3      TRP  24  45.892  14.335  -2.366
  146    HZ2  TRP  24           HZ2      TRP  24  49.636  11.872  -4.514
  147    HZ3  TRP  24           HZ3      TRP  24  46.935  15.211  -4.436
  148    HH2  TRP  24           HH2      TRP  24  48.803  13.986  -5.511
  149    H    LYS  25           HN       LYS  25  44.228   9.231  -1.708
  150    HA   LYS  25           HA       LYS  25  45.316   9.612  -4.169
  151    HB2  LYS  25           HB2      LYS  25  44.366   7.468  -3.421
  152    HB3  LYS  25           HB1      LYS  25  42.740   8.122  -3.614
  153    HG2  LYS  25           HG2      LYS  25  42.765   7.734  -5.834
  154    HG3  LYS  25           HG1      LYS  25  44.321   8.544  -6.013
  155    HD2  LYS  25           HD2      LYS  25  44.035   5.722  -4.955
  156    HD3  LYS  25           HD1      LYS  25  44.328   6.093  -6.654
  157    HE2  LYS  25           HE2      LYS  25  46.157   7.558  -4.935
  158    HE3  LYS  25           HE1      LYS  25  46.268   5.821  -4.647
  159    HZ1  LYS  25           HZ1      LYS  25  47.743   6.556  -6.432
  160    HZ2  LYS  25           HZ2      LYS  25  46.406   7.125  -7.312
  161    HZ3  LYS  25           HZ3      LYS  25  46.575   5.464  -6.999
  162    H    SER  26           HN       SER  26  45.090  11.353  -5.433
  163    HA   SER  26           HA       SER  26  42.519  12.700  -5.676
  164    HB2  SER  26           HB2      SER  26  44.055  14.047  -7.392
  165    HB3  SER  26           HB1      SER  26  44.138  14.324  -5.655
  166    HG   SER  26           HG       SER  26  46.002  13.323  -7.342
  167    H    SER  27           HN       SER  27  41.357  10.978  -6.718
  168    HA   SER  27           HA       SER  27  42.174   9.877  -9.217
  169    HB2  SER  27           HB2      SER  27  39.368  10.084  -8.107
  170    HB3  SER  27           HB1      SER  27  39.940   8.958  -9.333
  171    HG   SER  27           HG       SER  27  40.013   8.726  -6.676
  172    H    GLY  28           HN       GLY  28  40.354  12.718  -8.271
  173    HA2  GLY  28           HA2      GLY  28  40.356  13.594 -11.085
  174    HA3  GLY  28           HA1      GLY  28  38.854  13.655 -10.168
  175    H    ALA  29           HN       ALA  29  41.422  14.182  -8.104
  176    HA   ALA  29           HA       ALA  29  42.401  16.056  -7.177
  177    HB1  ALA  29           HB1      ALA  29  42.847  17.875  -8.503
  178    HB2  ALA  29           HB2      ALA  29  41.226  17.902  -9.197
  179    HB3  ALA  29           HB3      ALA  29  42.408  16.724  -9.765
  180    H    LEU  30           HN       LEU  30  39.808  15.096  -6.455
  181    HA   LEU  30           HA       LEU  30  38.691  17.586  -5.347
  182    HB2  LEU  30           HB2      LEU  30  36.409  16.790  -5.760
  183    HB3  LEU  30           HB1      LEU  30  37.292  16.953  -7.279
  184    HG   LEU  30           HG       LEU  30  37.849  14.348  -6.413
  185   HD11  LEU  30          HD11      LEU  30  35.927  14.695  -4.801
  186   HD12  LEU  30          HD12      LEU  30  35.711  13.351  -5.922
  187   HD13  LEU  30          HD13      LEU  30  34.874  14.878  -6.204
  188   HD21  LEU  30          HD21      LEU  30  37.506  15.087  -8.736
  189   HD22  LEU  30          HD22      LEU  30  35.795  15.361  -8.406
  190   HD23  LEU  30          HD23      LEU  30  36.449  13.724  -8.366
  191    H    ILE  31           HN       ILE  31  40.111  14.752  -4.715
  192    HA   ILE  31           HA       ILE  31  38.413  13.703  -2.655
  193    HB   ILE  31           HB       ILE  31  40.930  12.982  -3.926
  194   HG12  ILE  31          HG12      ILE  31  40.112  10.730  -3.370
  195   HG13  ILE  31          HG11      ILE  31  38.885  11.431  -2.313
  196   HG21  ILE  31          HG21      ILE  31  40.689  12.583  -0.922
  197   HG22  ILE  31          HG22      ILE  31  41.969  13.463  -1.769
  198   HG23  ILE  31          HG23      ILE  31  41.821  11.719  -1.960
  199   HD11  ILE  31          HD11      ILE  31  38.556  10.872  -5.010
  200   HD12  ILE  31          HD12      ILE  31  38.873  12.607  -4.996
  201   HD13  ILE  31          HD13      ILE  31  37.536  11.948  -4.054
  202    HA   PRO  32           HA       PRO  32  41.775  15.991   0.101
  203    HB2  PRO  32           HB2      PRO  32  42.042  18.446  -1.550
  204    HB3  PRO  32           HB1      PRO  32  43.281  17.547  -0.654
  205    HG2  PRO  32           HG2      PRO  32  43.132  17.463  -3.317
  206    HG3  PRO  32           HG1      PRO  32  43.621  16.054  -2.359
  207    HD2  PRO  32           HD2      PRO  32  41.008  16.599  -3.714
  208    HD3  PRO  32           HD1      PRO  32  41.864  15.056  -3.491
  209    H    ALA  33           HN       ALA  33  38.962  16.891  -1.510
  210    HA   ALA  33           HA       ALA  33  38.305  19.041   0.386
  211    HB1  ALA  33           HB1      ALA  33  36.400  19.495  -1.076
  212    HB2  ALA  33           HB2      ALA  33  36.789  18.077  -2.051
  213    HB3  ALA  33           HB3      ALA  33  37.890  19.454  -2.019
  214    H    ILE  34           HN       ILE  34  36.669  16.191  -1.021
  215    HA   ILE  34           HA       ILE  34  34.591  15.994   0.808
  216    HB   ILE  34           HB       ILE  34  36.067  13.767  -0.617
  217   HG12  ILE  34          HG12      ILE  34  33.430  15.059  -1.343
  218   HG13  ILE  34          HG11      ILE  34  34.967  15.673  -1.955
  219   HG21  ILE  34          HG21      ILE  34  33.515  13.861   0.985
  220   HG22  ILE  34          HG22      ILE  34  34.822  12.678   1.058
  221   HG23  ILE  34          HG23      ILE  34  33.717  12.686  -0.317
  222   HD11  ILE  34          HD11      ILE  34  34.003  14.100  -3.567
  223   HD12  ILE  34          HD12      ILE  34  33.896  12.859  -2.320
  224   HD13  ILE  34          HD13      ILE  34  35.475  13.418  -2.874
  225    H    TYR  35           HN       TYR  35  37.930  14.937   1.087
  226    HA   TYR  35           HA       TYR  35  37.643  13.304   3.377
  227    HB2  TYR  35           HB2      TYR  35  39.771  12.936   2.768
  228    HB3  TYR  35           HB1      TYR  35  39.808  14.410   1.799
  229    HD1  TYR  35           HD2      TYR  35  40.430  12.963   5.135
  230    HD2  TYR  35           HD1      TYR  35  40.598  16.517   2.727
  231    HE1  TYR  35           HE2      TYR  35  41.828  14.066   6.861
  232    HE2  TYR  35           HE1      TYR  35  41.997  17.620   4.454
  233    HH   TYR  35           HH       TYR  35  43.683  16.218   6.622
  234    H    MET  36           HN       MET  36  38.031  16.772   2.946
  235    HA   MET  36           HA       MET  36  38.557  17.369   5.690
  236    HB2  MET  36           HB2      MET  36  39.156  18.912   3.863
  237    HB3  MET  36           HB1      MET  36  37.444  19.144   3.504
  238    HG2  MET  36           HG2      MET  36  37.955  19.548   6.329
  239    HG3  MET  36           HG1      MET  36  38.988  20.594   5.355
  240    HE1  MET  36           HE1      MET  36  36.617  21.456   2.657
  241    HE2  MET  36           HE2      MET  36  38.267  21.415   3.271
  242    HE3  MET  36           HE3      MET  36  37.279  22.852   3.518
  243    H    LEU  37           HN       LEU  37  35.646  17.121   3.718
  244    HA   LEU  37           HA       LEU  37  33.867  18.211   5.669
  245    HB2  LEU  37           HB2      LEU  37  33.153  16.279   3.458
  246    HB3  LEU  37           HB1      LEU  37  32.108  17.473   4.231
  247    HG   LEU  37           HG       LEU  37  34.537  18.071   2.517
  248   HD11  LEU  37          HD11      LEU  37  33.091  18.078   0.795
  249   HD12  LEU  37          HD12      LEU  37  32.109  19.287   1.622
  250   HD13  LEU  37          HD13      LEU  37  31.798  17.570   1.880
  251   HD21  LEU  37          HD21      LEU  37  34.487  19.824   4.077
  252   HD22  LEU  37          HD22      LEU  37  32.729  19.772   4.220
  253   HD23  LEU  37          HD23      LEU  37  33.477  20.452   2.774
  254    H    VAL  38           HN       VAL  38  35.760  15.729   6.136
  255    HA   VAL  38           HA       VAL  38  33.769  14.276   7.747
  256    HB   VAL  38           HB       VAL  38  35.843  12.983   5.960
  257   HG11  VAL  38          HG11      VAL  38  34.196  12.022   8.247
  258   HG12  VAL  38          HG12      VAL  38  35.773  11.466   7.684
  259   HG13  VAL  38          HG13      VAL  38  34.308  10.956   6.847
  260   HG21  VAL  38          HG21      VAL  38  32.808  12.930   5.912
  261   HG22  VAL  38          HG22      VAL  38  33.866  12.030   4.826
  262   HG23  VAL  38          HG23      VAL  38  33.834  13.792   4.766
  263    H    PHE  39           HN       PHE  39  36.380  16.127   7.825
  264    HA   PHE  39           HA       PHE  39  37.931  14.545   9.749
  265    HB2  PHE  39           HB2      PHE  39  39.398  15.624   8.293
  266    HB3  PHE  39           HB1      PHE  39  38.417  17.088   8.228
  267    HD1  PHE  39           HD2      PHE  39  40.464  15.016  10.577
  268    HD2  PHE  39           HD1      PHE  39  38.904  18.906   9.636
  269    HE1  PHE  39           HE2      PHE  39  41.805  15.998  12.417
  270    HE2  PHE  39           HE1      PHE  39  40.245  19.888  11.477
  271    HZ   PHE  39           HZ       PHE  39  41.695  18.435  12.867
  272    H    LEU  40           HN       LEU  40  36.446  17.788   9.551
  273    HA   LEU  40           HA       LEU  40  36.718  18.329  12.332
  274    HB2  LEU  40           HB2      LEU  40  34.977  20.126  11.809
  275    HB3  LEU  40           HB1      LEU  40  36.488  20.209  10.901
  276    HG   LEU  40           HG       LEU  40  34.505  18.492   9.610
  277   HD11  LEU  40          HD11      LEU  40  33.881  21.440   9.965
  278   HD12  LEU  40          HD12      LEU  40  32.943  20.104  10.634
  279   HD13  LEU  40          HD13      LEU  40  33.028  20.336   8.888
  280   HD21  LEU  40          HD21      LEU  40  35.181  19.811   7.662
  281   HD22  LEU  40          HD22      LEU  40  36.610  19.367   8.593
  282   HD23  LEU  40          HD23      LEU  40  35.955  21.001   8.708
  283    H    LEU  41           HN       LEU  41  34.836  16.102  10.792
  284    HA   LEU  41           HA       LEU  41  32.816  16.143  12.955
  285    HB2  LEU  41           HB2      LEU  41  32.460  15.513  10.023
  286    HB3  LEU  41           HB1      LEU  41  31.284  15.044  11.252
  287    HG   LEU  41           HG       LEU  41  32.145  17.854  11.435
  288   HD11  LEU  41          HD11      LEU  41  32.163  17.620   8.991
  289   HD12  LEU  41          HD12      LEU  41  30.762  18.564   9.496
  290   HD13  LEU  41          HD13      LEU  41  30.567  16.872   9.035
  291   HD21  LEU  41          HD21      LEU  41  30.280  16.779  12.718
  292   HD22  LEU  41          HD22      LEU  41  29.414  16.549  11.199
  293   HD23  LEU  41          HD23      LEU  41  29.753  18.178  11.784
  294    H    GLY  42           HN       GLY  42  35.165  14.389  11.161
  295    HA2  GLY  42           HA2      GLY  42  34.247  11.746  11.788
  296    HA3  GLY  42           HA1      GLY  42  35.844  12.179  11.186
  297    H    THR  43           HN       THR  43  36.688  13.933  13.165
  298    HA   THR  43           HA       THR  43  37.026  12.083  15.435
  299    HB   THR  43           HB       THR  43  39.163  12.587  14.670
  300    HG1  THR  43           HG1      THR  43  38.611  13.403  16.909
  301   HG21  THR  43          HG21      THR  43  37.981  15.273  14.001
  302   HG22  THR  43          HG22      THR  43  38.781  14.121  12.931
  303   HG23  THR  43          HG23      THR  43  39.729  15.057  14.089
  304    H    THR  44           HN       THR  44  36.282  15.446  14.616
  305    HA   THR  44           HA       THR  44  35.908  16.269  17.341
  306    HB   THR  44           HB       THR  44  34.485  18.006  15.629
  307    HG1  THR  44           HG1      THR  44  37.015  17.450  14.534
  308   HG21  THR  44          HG21      THR  44  37.292  18.077  16.765
  309   HG22  THR  44          HG22      THR  44  35.832  18.725  17.512
  310   HG23  THR  44          HG23      THR  44  36.478  19.468  16.050
  311    H    GLY  45           HN       GLY  45  34.138  14.283  15.354
  312    HA2  GLY  45           HA2      GLY  45  31.532  15.109  16.448
  313    HA3  GLY  45           HA1      GLY  45  31.779  14.000  15.101
  314    H    ASN  46           HN       ASN  46  34.028  12.800  16.865
  315    HA   ASN  46           HA       ASN  46  32.345  11.333  18.786
  316    HB2  ASN  46           HB2      ASN  46  32.732   9.276  17.881
  317    HB3  ASN  46           HB1      ASN  46  32.872  10.214  16.395
  318   HD21  ASN  46          HD21      ASN  46  35.269  11.137  16.095
  319   HD22  ASN  46          HD22      ASN  46  36.507  10.022  16.416
  320    H    GLY  47           HN       GLY  47  35.626  11.944  17.565
  321    HA2  GLY  47           HA2      GLY  47  37.002  10.945  19.833
  322    HA3  GLY  47           HA1      GLY  47  37.659  12.059  18.638
  323    H    LEU  48           HN       LEU  48  35.445  11.969  21.428
  324    HA   LEU  48           HA       LEU  48  36.664  14.429  22.436
  325    HB2  LEU  48           HB2      LEU  48  33.946  14.245  21.313
  326    HB3  LEU  48           HB1      LEU  48  34.029  14.985  22.912
  327    HG   LEU  48           HG       LEU  48  35.914  15.812  20.704
  328   HD11  LEU  48          HD11      LEU  48  34.150  17.812  20.655
  329   HD12  LEU  48          HD12      LEU  48  33.042  16.524  21.124
  330   HD13  LEU  48          HD13      LEU  48  33.957  16.396  19.623
  331   HD21  LEU  48          HD21      LEU  48  35.829  16.396  23.392
  332   HD22  LEU  48          HD22      LEU  48  34.911  17.734  22.704
  333   HD23  LEU  48          HD23      LEU  48  36.563  17.431  22.167
  334    H    VAL  49           HN       VAL  49  35.015  11.460  22.861
  335    HA   VAL  49           HA       VAL  49  34.580  11.906  25.726
  336    HB   VAL  49           HB       VAL  49  32.792  10.786  24.500
  337   HG11  VAL  49          HG11      VAL  49  34.916   9.591  23.113
  338   HG12  VAL  49          HG12      VAL  49  33.199   9.246  22.904
  339   HG13  VAL  49          HG13      VAL  49  34.167   8.271  24.011
  340   HG21  VAL  49          HG21      VAL  49  32.395   9.209  26.134
  341   HG22  VAL  49          HG22      VAL  49  33.770  10.019  26.885
  342   HG23  VAL  49          HG23      VAL  49  34.011   8.513  26.000
  343    H    LEU  50           HN       LEU  50  37.076  10.984  23.763
  344    HA   LEU  50           HA       LEU  50  38.366   9.512  25.967
  345    HB2  LEU  50           HB2      LEU  50  39.393   7.970  24.338
  346    HB3  LEU  50           HB1      LEU  50  37.634   7.839  24.330
  347    HG   LEU  50           HG       LEU  50  38.102   9.835  22.476
  348   HD11  LEU  50          HD11      LEU  50  40.111   7.640  21.935
  349   HD12  LEU  50          HD12      LEU  50  40.566   9.168  22.692
  350   HD13  LEU  50          HD13      LEU  50  39.898   9.156  21.060
  351   HD21  LEU  50          HD21      LEU  50  36.504   7.979  22.258
  352   HD22  LEU  50          HD22      LEU  50  37.835   6.842  22.043
  353   HD23  LEU  50          HD23      LEU  50  37.521   8.074  20.821
  354    H    TRP  51           HN       TRP  51  38.389  12.164  24.086
  355    HA   TRP  51           HA       TRP  51  41.275  12.256  23.605
  356    HB2  TRP  51           HB2      TRP  51  40.184  13.212  21.791
  357    HB3  TRP  51           HB1      TRP  51  38.933  13.942  22.798
  358    HD1  TRP  51           HD1      TRP  51  42.768  14.266  22.346
  359    HE1  TRP  51           HE1      TRP  51  43.392  16.755  22.602
  360    HE3  TRP  51           HE3      TRP  51  38.170  16.228  23.387
  361    HZ2  TRP  51           HZ2      TRP  51  42.112  19.247  23.174
  362    HZ3  TRP  51           HZ3      TRP  51  37.901  18.660  23.783
  363    HH2  TRP  51           HH2      TRP  51  39.864  20.170  23.677
  364    H    THR  52           HN       THR  52  39.056  14.741  24.853
  365    HA   THR  52           HA       THR  52  40.926  16.129  26.361
  366    HB   THR  52           HB       THR  52  38.768  17.101  25.930
  367    HG1  THR  52           HG1      THR  52  38.662  18.018  27.824
  368   HG21  THR  52          HG21      THR  52  37.611  14.902  27.665
  369   HG22  THR  52          HG22      THR  52  37.514  14.946  25.904
  370   HG23  THR  52          HG23      THR  52  36.709  16.188  26.863
  371    H    VAL  53           HN       VAL  53  38.975  13.321  27.233
  372    HA   VAL  53           HA       VAL  53  39.312  13.197  29.961
  373    HB   VAL  53           HB       VAL  53  39.469  10.889  28.006
  374   HG11  VAL  53          HG11      VAL  53  39.617  11.061  30.910
  375   HG12  VAL  53          HG12      VAL  53  39.863   9.665  29.861
  376   HG13  VAL  53          HG13      VAL  53  38.237  10.096  30.389
  377   HG21  VAL  53          HG21      VAL  53  36.994  10.730  28.784
  378   HG22  VAL  53          HG22      VAL  53  37.409  11.973  27.602
  379   HG23  VAL  53          HG23      VAL  53  37.202  12.404  29.300
  380    H    PHE  54           HN       PHE  54  41.631  12.350  27.435
  381    HA   PHE  54           HA       PHE  54  43.589  11.270  29.228
  382    HB2  PHE  54           HB2      PHE  54  43.291  10.994  26.618
  383    HB3  PHE  54           HB1      PHE  54  44.335  12.414  26.567
  384    HD1  PHE  54           HD1      PHE  54  46.617  12.340  27.517
  385    HD2  PHE  54           HD2      PHE  54  44.114   8.852  27.391
  386    HE1  PHE  54           HE1      PHE  54  48.592  10.908  27.957
  387    HE2  PHE  54           HE2      PHE  54  46.089   7.419  27.831
  388    HZ   PHE  54           HZ       PHE  54  48.328   8.446  28.114
  389    H    ARG  55           HN       ARG  55  42.647  14.442  28.308
  390    HA   ARG  55           HA       ARG  55  45.199  15.631  29.108
  391    HB2  ARG  55           HB2      ARG  55  42.693  16.652  27.817
  392    HB3  ARG  55           HB1      ARG  55  43.789  17.784  28.611
  393    HG2  ARG  55           HG2      ARG  55  44.335  17.542  26.210
  394    HG3  ARG  55           HG1      ARG  55  45.654  16.964  27.229
  395    HD2  ARG  55           HD2      ARG  55  45.056  14.678  26.871
  396    HD3  ARG  55           HD1      ARG  55  43.514  15.125  26.145
  397    HE   ARG  55           HE       ARG  55  45.818  16.157  24.727
  398   HH11  ARG  55          HH21      ARG  55  43.635  13.512  25.190
  399   HH12  ARG  55          HH22      ARG  55  43.878  12.853  23.606
  400   HH21  ARG  55          HH11      ARG  55  46.143  15.299  22.648
  401   HH22  ARG  55          HH12      ARG  55  45.298  13.865  22.168
  402    H    LYS  56           HN       LYS  56  41.880  15.293  30.222
  403    HA   LYS  56           HA       LYS  56  41.976  17.153  32.346
  404    HB2  LYS  56           HB2      LYS  56  40.340  14.627  32.023
  405    HB3  LYS  56           HB1      LYS  56  40.064  15.849  33.265
  406    HG2  LYS  56           HG2      LYS  56  40.251  16.811  30.452
  407    HG3  LYS  56           HG1      LYS  56  38.801  15.908  30.891
  408    HD2  LYS  56           HD2      LYS  56  38.270  17.442  32.654
  409    HD3  LYS  56           HD1      LYS  56  39.843  18.227  32.530
  410    HE2  LYS  56           HE2      LYS  56  38.394  18.202  29.988
  411    HE3  LYS  56           HE1      LYS  56  37.524  19.062  31.259
  412    HZ1  LYS  56           HZ1      LYS  56  39.233  20.560  31.539
  413    HZ2  LYS  56           HZ2      LYS  56  39.263  20.317  29.859
  414    HZ3  LYS  56           HZ3      LYS  56  40.400  19.540  30.852
  415    H    LYS  57           HN       LYS  57  42.794  13.712  32.156
  416    HA   LYS  57           HA       LYS  57  43.168  13.091  34.815
  417    HB2  LYS  57           HB2      LYS  57  44.890  11.475  34.035
  418    HB3  LYS  57           HB1      LYS  57  43.422  11.426  33.057
  419    HG2  LYS  57           HG2      LYS  57  44.692  11.801  31.237
  420    HG3  LYS  57           HG1      LYS  57  45.058  13.401  31.881
  421    HD2  LYS  57           HD2      LYS  57  47.155  12.256  31.468
  422    HD3  LYS  57           HD1      LYS  57  46.921  12.366  33.212
  423    HE2  LYS  57           HE2      LYS  57  47.106  10.129  33.345
  424    HE3  LYS  57           HE1      LYS  57  45.639   9.980  32.380
  425    HZ1  LYS  57           HZ1      LYS  57  48.099  10.586  30.944
  426    HZ2  LYS  57           HZ2      LYS  57  46.797   9.590  30.500
  427    HZ3  LYS  57           HZ3      LYS  57  47.968   9.025  31.592
  428    H    GLY  58           HN       GLY  58  45.139  15.098  32.743
  429    HA2  GLY  58           HA2      GLY  58  46.633  16.755  33.496
  430    HA3  GLY  58           HA1      GLY  58  46.683  15.967  35.070
  431    H    HIS  59           HN       HIS  59  47.342  14.861  31.740
  432    HA   HIS  59           HA       HIS  59  49.054  13.530  30.938
  433    HB2  HIS  59           HB2      HIS  59  50.544  15.636  32.518
  434    HB3  HIS  59           HB1      HIS  59  51.316  14.522  31.389
  435    HD2  HIS  59           HD2      HIS  59  47.855  15.831  30.227
  436    HE1  HIS  59           HE1      HIS  59  50.782  18.021  28.113
  437    HE2  HIS  59           HE2      HIS  59  48.299  17.514  28.280
  438    H    HIS  60           HN       HIS  60  48.764  11.541  31.904
  439    HA   HIS  60           HA       HIS  60  49.409   9.713  33.144
  440    HB2  HIS  60           HB2      HIS  60  51.703  11.233  32.967
  441    HB3  HIS  60           HB1      HIS  60  51.507  11.031  34.709
  442    HD2  HIS  60           HD2      HIS  60  52.735   8.703  35.506
  443    HE1  HIS  60           HE1      HIS  60  52.114   6.439  31.997
  444    HE2  HIS  60           HE2      HIS  60  53.117   6.403  34.329
  445    H    HIS  61           HN       HIS  61  49.786   9.062  35.546
  446    HA   HIS  61           HA       HIS  61  47.756  10.477  37.101
  447    HB2  HIS  61           HB2      HIS  61  49.208   8.009  38.014
  448    HB3  HIS  61           HB1      HIS  61  47.566   8.534  38.388
  449    HD2  HIS  61           HD2      HIS  61  46.182   8.799  35.524
  450    HE1  HIS  61           HE1      HIS  61  47.836   5.032  34.577
  451    HE2  HIS  61           HE2      HIS  61  46.081   6.744  33.916
  452    H    HIS  62           HN       HIS  62  48.104  11.267  39.198
  453    HA   HIS  62           HA       HIS  62  50.765  11.265  40.342
  454    HB2  HIS  62           HB2      HIS  62  50.994  13.718  40.349
  455    HB3  HIS  62           HB1      HIS  62  50.965  13.083  38.703
  456    HD2  HIS  62           HD2      HIS  62  49.032  15.618  40.844
  457    HE1  HIS  62           HE1      HIS  62  46.660  14.901  37.425
  458    HE2  HIS  62           HE2      HIS  62  46.959  16.394  39.458
  459    H    HIS  63           HN       HIS  63  49.504  10.212  42.000
  460    HA   HIS  63           HA       HIS  63  48.424  12.127  43.904
  461    HB2  HIS  63           HB2      HIS  63  46.366  10.646  44.229
  462    HB3  HIS  63           HB1      HIS  63  46.380  11.669  42.792
  463    HD2  HIS  63           HD2      HIS  63  45.406  10.112  40.736
  464    HE1  HIS  63           HE1      HIS  63  47.382   6.510  41.711
  465    HE2  HIS  63           HE2      HIS  63  45.844   7.636  40.033
  466    H    HIS  64           HN       HIS  64  50.770  10.598  43.960
  467    HA   HIS  64           HA       HIS  64  50.679   8.116  45.188
  468    HB2  HIS  64           HB2      HIS  64  52.608  10.413  45.377
  469    HB3  HIS  64           HB1      HIS  64  52.846   8.962  46.350
  470    HD2  HIS  64           HD2      HIS  64  54.294   7.063  44.978
  471    HE1  HIS  64           HE1      HIS  64  53.306   8.255  41.050
  472    HE2  HIS  64           HE2      HIS  64  54.663   6.613  42.432
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  61.109  -5.442 -22.138
    2    H2   MET   1           HT2      MET   1  60.084  -4.820 -23.342
    3    H3   MET   1           HT3      MET   1  59.533  -6.046 -22.302
    4    HA   MET   1           HA       MET   1  58.695  -3.763 -21.779
    5    HB2  MET   1           HB2      MET   1  60.313  -5.328 -19.748
    6    HB3  MET   1           HB1      MET   1  59.190  -4.035 -19.321
    7    HG2  MET   1           HG2      MET   1  57.339  -5.295 -19.809
    8    HG3  MET   1           HG1      MET   1  58.137  -6.142 -21.134
    9    HE1  MET   1           HE1      MET   1  58.173  -7.099 -16.664
   10    HE2  MET   1           HE2      MET   1  56.933  -6.232 -17.567
   11    HE3  MET   1           HE3      MET   1  58.517  -5.497 -17.333
   12    H    GLU   2           HN       GLU   2  59.734  -2.018 -22.766
   13    HA   GLU   2           HA       GLU   2  61.235  -0.284 -23.015
   14    HB2  GLU   2           HB2      GLU   2  61.704  -0.408 -20.058
   15    HB3  GLU   2           HB1      GLU   2  61.472   1.000 -21.094
   16    HG2  GLU   2           HG2      GLU   2  59.088  -0.008 -21.490
   17    HG3  GLU   2           HG1      GLU   2  59.414  -0.900 -20.003
   18    H    GLU   3           HN       GLU   3  62.505  -2.521 -23.721
   19    HA   GLU   3           HA       GLU   3  64.761  -3.316 -22.274
   20    HB2  GLU   3           HB2      GLU   3  64.150  -3.256 -25.225
   21    HB3  GLU   3           HB1      GLU   3  65.685  -3.868 -24.609
   22    HG2  GLU   3           HG2      GLU   3  64.464  -5.471 -23.175
   23    HG3  GLU   3           HG1      GLU   3  62.936  -4.874 -23.819
   24    H    GLY   4           HN       GLY   4  66.647  -2.368 -21.820
   25    HA2  GLY   4           HA2      GLY   4  68.229  -0.774 -23.396
   26    HA3  GLY   4           HA1      GLY   4  67.137   0.353 -22.597
   27    H    GLY   5           HN       GLY   5  68.423  -2.658 -21.262
   28    HA2  GLY   5           HA2      GLY   5  69.091  -1.570 -18.767
   29    HA3  GLY   5           HA1      GLY   5  69.723  -3.082 -19.411
   30    H    ASP   6           HN       ASP   6  70.476   0.084 -18.521
   31    HA   ASP   6           HA       ASP   6  72.328   1.435 -18.806
   32    HB2  ASP   6           HB2      ASP   6  73.076  -0.686 -17.489
   33    HB3  ASP   6           HB1      ASP   6  73.923  -1.103 -18.979
   34    H    PHE   7           HN       PHE   7  71.001   0.793 -21.257
   35    HA   PHE   7           HA       PHE   7  73.253   1.184 -23.094
   36    HB2  PHE   7           HB2      PHE   7  71.534  -1.187 -23.010
   37    HB3  PHE   7           HB1      PHE   7  71.583  -0.412 -24.594
   38    HD1  PHE   7           HD2      PHE   7  73.861   0.123 -25.619
   39    HD2  PHE   7           HD1      PHE   7  73.366  -2.463 -22.225
   40    HE1  PHE   7           HE2      PHE   7  76.113  -0.836 -26.021
   41    HE2  PHE   7           HE1      PHE   7  75.619  -3.420 -22.626
   42    HZ   PHE   7           HZ       PHE   7  76.992  -2.607 -24.524
   43    H    ASP   8           HN       ASP   8  70.294   2.100 -21.941
   44    HA   ASP   8           HA       ASP   8  69.926   4.044 -24.018
   45    HB2  ASP   8           HB2      ASP   8  68.508   1.545 -24.202
   46    HB3  ASP   8           HB1      ASP   8  67.369   2.862 -23.930
   47    H    ASN   9           HN       ASN   9  68.732   5.775 -23.316
   48    HA   ASN   9           HA       ASN   9  67.254   5.513 -20.787
   49    HB2  ASN   9           HB2      ASN   9  69.814   6.616 -20.918
   50    HB3  ASN   9           HB1      ASN   9  68.733   8.009 -20.900
   51   HD21  ASN   9          HD21      ASN   9  69.496   4.996 -19.109
   52   HD22  ASN   9          HD22      ASN   9  68.879   5.543 -17.626
   53    H    TYR  10           HN       TYR  10  67.087   6.273 -23.895
   54    HA   TYR  10           HA       TYR  10  65.531   7.429 -25.135
   55    HB2  TYR  10           HB2      TYR  10  64.341   8.663 -22.682
   56    HB3  TYR  10           HB1      TYR  10  63.545   8.091 -24.148
   57    HD1  TYR  10           HD1      TYR  10  64.511   5.403 -24.532
   58    HD2  TYR  10           HD2      TYR  10  63.544   7.419 -20.863
   59    HE1  TYR  10           HE1      TYR  10  64.070   3.217 -23.445
   60    HE2  TYR  10           HE2      TYR  10  63.103   5.235 -19.778
   61    HH   TYR  10           HH       TYR  10  63.374   2.992 -19.987
   62    H    TYR  11           HN       TYR  11  66.928   9.179 -22.393
   63    HA   TYR  11           HA       TYR  11  68.126  11.157 -22.376
   64    HB2  TYR  11           HB2      TYR  11  68.549  10.362 -24.896
   65    HB3  TYR  11           HB1      TYR  11  67.542  11.772 -25.228
   66    HD1  TYR  11           HD2      TYR  11  68.203  14.018 -24.273
   67    HD2  TYR  11           HD1      TYR  11  70.802  10.600 -24.162
   68    HE1  TYR  11           HE2      TYR  11  70.140  15.505 -23.842
   69    HE2  TYR  11           HE1      TYR  11  72.740  12.088 -23.732
   70    HH   TYR  11           HH       TYR  11  73.069  14.426 -22.711
   71    H    GLY  12           HN       GLY  12  67.291  12.925 -21.478
   72    HA2  GLY  12           HA2      GLY  12  65.804  14.591 -20.921
   73    HA3  GLY  12           HA1      GLY  12  65.515  14.724 -22.653
   74    H    ALA  13           HN       ALA  13  64.861  11.988 -20.490
   75    HA   ALA  13           HA       ALA  13  62.091  11.951 -21.447
   76    HB1  ALA  13           HB1      ALA  13  62.434   9.738 -21.399
   77    HB2  ALA  13           HB2      ALA  13  62.546   9.827 -19.641
   78    HB3  ALA  13           HB3      ALA  13  64.003   9.964 -20.626
   79    H    ASP  14           HN       ASP  14  63.976  12.533 -18.562
   80    HA   ASP  14           HA       ASP  14  62.102  12.262 -16.548
   81    HB2  ASP  14           HB2      ASP  14  64.162  14.464 -16.810
   82    HB3  ASP  14           HB1      ASP  14  63.379  13.949 -15.318
   83    H    ASN  15           HN       ASN  15  62.260  14.632 -19.080
   84    HA   ASN  15           HA       ASN  15  60.878  16.791 -18.115
   85    HB2  ASN  15           HB2      ASN  15  61.582  15.849 -20.633
   86    HB3  ASN  15           HB1      ASN  15  59.825  15.973 -20.704
   87   HD21  ASN  15          HD21      ASN  15  62.774  17.867 -19.967
   88   HD22  ASN  15          HD22      ASN  15  62.061  19.379 -20.262
   89    H    GLN  16           HN       GLN  16  59.564  13.653 -19.077
   90    HA   GLN  16           HA       GLN  16  56.860  14.531 -18.334
   91    HB2  GLN  16           HB2      GLN  16  57.637  11.836 -19.446
   92    HB3  GLN  16           HB1      GLN  16  56.055  12.616 -19.476
   93    HG2  GLN  16           HG2      GLN  16  56.999  14.402 -20.936
   94    HG3  GLN  16           HG1      GLN  16  58.530  13.528 -20.969
   95   HE21  GLN  16          HE21      GLN  16  58.552  12.817 -23.150
   96   HE22  GLN  16          HE22      GLN  16  57.347  11.829 -23.823
   97    H    SER  17           HN       SER  17  58.696  14.338 -16.224
   98    HA   SER  17           HA       SER  17  57.983  11.819 -14.867
   99    HB2  SER  17           HB2      SER  17  59.774  12.353 -13.304
  100    HB3  SER  17           HB1      SER  17  60.384  12.435 -14.955
  101    HG   SER  17           HG       SER  17  59.426  14.809 -14.405
  102    H    GLU  18           HN       GLU  18  58.199  12.592 -12.247
  103    HA   GLU  18           HA       GLU  18  55.646  13.582 -11.656
  104    HB2  GLU  18           HB2      GLU  18  58.056  13.719  -9.834
  105    HB3  GLU  18           HB1      GLU  18  56.358  13.637  -9.362
  106    HG2  GLU  18           HG2      GLU  18  56.566  11.396  -9.310
  107    HG3  GLU  18           HG1      GLU  18  56.741  11.440 -11.064
  108    H    CYS  19           HN       CYS  19  55.370  15.501 -12.887
  109    HA   CYS  19           HA       CYS  19  56.537  17.872 -11.587
  110    HB2  CYS  19           HB2      CYS  19  57.732  17.300 -13.761
  111    HB3  CYS  19           HB1      CYS  19  56.217  17.673 -14.582
  112    HG   CYS  19           HG       CYS  19  56.992  20.025 -14.478
  113    H    GLU  20           HN       GLU  20  54.185  16.835 -14.068
  114    HA   GLU  20           HA       GLU  20  52.154  18.498 -12.732
  115    HB2  GLU  20           HB2      GLU  20  52.570  18.455 -15.729
  116    HB3  GLU  20           HB1      GLU  20  51.400  19.423 -14.831
  117    HG2  GLU  20           HG2      GLU  20  53.296  20.543 -13.652
  118    HG3  GLU  20           HG1      GLU  20  54.418  19.645 -14.672
  119    H    TYR  21           HN       TYR  21  53.032  15.521 -13.639
  120    HA   TYR  21           HA       TYR  21  50.367  14.685 -14.573
  121    HB2  TYR  21           HB2      TYR  21  52.927  13.076 -14.414
  122    HB3  TYR  21           HB1      TYR  21  51.422  12.588 -15.195
  123    HD1  TYR  21           HD1      TYR  21  50.665  13.669 -17.274
  124    HD2  TYR  21           HD2      TYR  21  54.399  14.721 -15.429
  125    HE1  TYR  21           HE1      TYR  21  51.373  14.809 -19.359
  126    HE2  TYR  21           HE2      TYR  21  55.108  15.862 -17.514
  127    HH   TYR  21           HH       TYR  21  54.204  15.424 -20.245
  128    H    THR  22           HN       THR  22  51.917  15.150 -11.725
  129    HA   THR  22           HA       THR  22  50.218  13.177 -10.371
  130    HB   THR  22           HB       THR  22  51.965  12.278  -9.047
  131    HG1  THR  22           HG1      THR  22  53.285  13.863  -8.515
  132   HG21  THR  22          HG21      THR  22  51.871  11.469 -11.420
  133   HG22  THR  22          HG22      THR  22  53.465  11.303 -10.682
  134   HG23  THR  22          HG23      THR  22  53.151  12.618 -11.813
  135    H    ASP  23           HN       ASP  23  52.301  16.018 -10.199
  136    HA   ASP  23           HA       ASP  23  52.043  16.880  -7.630
  137    HB2  ASP  23           HB2      ASP  23  52.848  18.041  -9.985
  138    HB3  ASP  23           HB1      ASP  23  51.443  19.015  -9.553
  139    H    TRP  24           HN       TRP  24  49.541  16.799 -10.084
  140    HA   TRP  24           HA       TRP  24  47.644  18.094  -8.241
  141    HB2  TRP  24           HB2      TRP  24  46.168  18.273 -10.191
  142    HB3  TRP  24           HB1      TRP  24  47.746  18.980 -10.540
  143    HD1  TRP  24           HD1      TRP  24  49.516  17.261 -11.838
  144    HE1  TRP  24           HE1      TRP  24  49.005  15.573 -13.720
  145    HE3  TRP  24           HE3      TRP  24  44.471  16.753 -11.228
  146    HZ2  TRP  24           HZ2      TRP  24  46.757  14.191 -14.820
  147    HZ3  TRP  24           HZ3      TRP  24  43.171  15.246 -12.704
  148    HH2  TRP  24           HH2      TRP  24  44.308  13.966 -14.498
  149    H    LYS  25           HN       LYS  25  47.716  15.308 -10.479
  150    HA   LYS  25           HA       LYS  25  46.440  13.394 -10.494
  151    HB2  LYS  25           HB2      LYS  25  48.344  12.888  -8.989
  152    HB3  LYS  25           HB1      LYS  25  47.372  13.414  -7.614
  153    HG2  LYS  25           HG2      LYS  25  46.248  11.464  -7.548
  154    HG3  LYS  25           HG1      LYS  25  45.943  11.500  -9.283
  155    HD2  LYS  25           HD2      LYS  25  48.624  10.731  -8.108
  156    HD3  LYS  25           HD1      LYS  25  47.365   9.550  -8.472
  157    HE2  LYS  25           HE2      LYS  25  47.805  11.379 -10.700
  158    HE3  LYS  25           HE1      LYS  25  49.278  10.517 -10.260
  159    HZ1  LYS  25           HZ1      LYS  25  46.641   9.260 -10.794
  160    HZ2  LYS  25           HZ2      LYS  25  48.073   8.437 -10.393
  161    HZ3  LYS  25           HZ3      LYS  25  47.957   9.278 -11.865
  162    H    SER  26           HN       SER  26  44.323  14.044 -10.796
  163    HA   SER  26           HA       SER  26  42.629  13.888  -8.409
  164    HB2  SER  26           HB2      SER  26  41.440  15.899  -8.874
  165    HB3  SER  26           HB1      SER  26  43.149  16.322  -8.923
  166    HG   SER  26           HG       SER  26  41.709  17.026 -10.730
  167    H    SER  27           HN       SER  27  41.310  12.250  -8.864
  168    HA   SER  27           HA       SER  27  40.510  11.733 -11.633
  169    HB2  SER  27           HB2      SER  27  40.081  10.150  -9.090
  170    HB3  SER  27           HB1      SER  27  39.556   9.639 -10.693
  171    HG   SER  27           HG       SER  27  41.547   9.139 -11.171
  172    H    GLY  28           HN       GLY  28  39.478  13.915  -9.669
  173    HA2  GLY  28           HA2      GLY  28  36.778  13.897 -10.628
  174    HA3  GLY  28           HA1      GLY  28  36.860  13.516  -8.910
  175    H    ALA  29           HN       ALA  29  39.189  15.170  -8.401
  176    HA   ALA  29           HA       ALA  29  39.813  17.370  -8.039
  177    HB1  ALA  29           HB1      ALA  29  39.112  19.027  -9.460
  178    HB2  ALA  29           HB2      ALA  29  37.432  18.491  -9.430
  179    HB3  ALA  29           HB3      ALA  29  38.615  17.630 -10.414
  180    H    LEU  30           HN       LEU  30  38.362  15.913  -6.190
  181    HA   LEU  30           HA       LEU  30  37.153  18.055  -4.672
  182    HB2  LEU  30           HB2      LEU  30  34.981  17.146  -4.411
  183    HB3  LEU  30           HB1      LEU  30  35.298  17.107  -6.142
  184    HG   LEU  30           HG       LEU  30  35.462  14.783  -4.200
  185   HD11  LEU  30          HD11      LEU  30  33.213  15.360  -5.008
  186   HD12  LEU  30          HD12      LEU  30  33.751  13.833  -5.706
  187   HD13  LEU  30          HD13      LEU  30  33.790  15.306  -6.673
  188   HD21  LEU  30          HD21      LEU  30  36.414  15.074  -7.056
  189   HD22  LEU  30          HD22      LEU  30  35.991  13.504  -6.373
  190   HD23  LEU  30          HD23      LEU  30  37.305  14.444  -5.670
  191    H    ILE  31           HN       ILE  31  39.320  15.873  -4.680
  192    HA   ILE  31           HA       ILE  31  38.691  14.129  -2.511
  193    HB   ILE  31           HB       ILE  31  41.538  14.774  -3.004
  194   HG12  ILE  31          HG12      ILE  31  39.634  13.822  -5.143
  195   HG13  ILE  31          HG11      ILE  31  40.929  15.013  -5.272
  196   HG21  ILE  31          HG21      ILE  31  40.133  12.120  -3.233
  197   HG22  ILE  31          HG22      ILE  31  40.447  12.838  -1.653
  198   HG23  ILE  31          HG23      ILE  31  41.790  12.453  -2.728
  199   HD11  ILE  31          HD11      ILE  31  41.135  12.013  -5.155
  200   HD12  ILE  31          HD12      ILE  31  42.501  13.022  -4.679
  201   HD13  ILE  31          HD13      ILE  31  41.856  13.125  -6.318
  202    HA   PRO  32           HA       PRO  32  41.342  17.445  -0.063
  203    HB2  PRO  32           HB2      PRO  32  40.272  19.901  -1.335
  204    HB3  PRO  32           HB1      PRO  32  41.932  19.516  -0.845
  205    HG2  PRO  32           HG2      PRO  32  41.195  19.583  -3.413
  206    HG3  PRO  32           HG1      PRO  32  42.406  18.438  -2.809
  207    HD2  PRO  32           HD2      PRO  32  39.539  17.947  -3.528
  208    HD3  PRO  32           HD1      PRO  32  40.953  16.892  -3.748
  209    H    ALA  33           HN       ALA  33  38.124  17.269  -1.087
  210    HA   ALA  33           HA       ALA  33  37.091  18.771   1.222
  211    HB1  ALA  33           HB1      ALA  33  34.870  18.384   0.119
  212    HB2  ALA  33           HB2      ALA  33  35.724  17.602  -1.211
  213    HB3  ALA  33           HB3      ALA  33  36.005  19.308  -0.865
  214    H    ILE  34           HN       ILE  34  36.459  15.645  -0.395
  215    HA   ILE  34           HA       ILE  34  35.002  14.449   1.649
  216    HB   ILE  34           HB       ILE  34  36.906  13.152  -0.315
  217   HG12  ILE  34          HG12      ILE  34  33.892  13.419  -0.445
  218   HG13  ILE  34          HG11      ILE  34  34.985  14.573  -1.209
  219   HG21  ILE  34          HG21      ILE  34  34.947  11.329   0.212
  220   HG22  ILE  34          HG22      ILE  34  35.114  12.098   1.790
  221   HG23  ILE  34          HG23      ILE  34  36.513  11.347   1.023
  222   HD11  ILE  34          HD11      ILE  34  35.167  11.601  -1.727
  223   HD12  ILE  34          HD12      ILE  34  35.891  12.913  -2.658
  224   HD13  ILE  34          HD13      ILE  34  34.145  12.664  -2.695
  225    H    TYR  35           HN       TYR  35  38.439  14.965   1.349
  226    HA   TYR  35           HA       TYR  35  39.132  13.144   3.490
  227    HB2  TYR  35           HB2      TYR  35  40.666  13.656   1.579
  228    HB3  TYR  35           HB1      TYR  35  40.829  15.294   2.209
  229    HD1  TYR  35           HD2      TYR  35  41.850  15.682   4.452
  230    HD2  TYR  35           HD1      TYR  35  41.768  11.794   2.628
  231    HE1  TYR  35           HE2      TYR  35  43.589  14.901   6.039
  232    HE2  TYR  35           HE1      TYR  35  43.506  11.013   4.215
  233    HH   TYR  35           HH       TYR  35  44.447  11.552   6.320
  234    H    MET  36           HN       MET  36  39.815  16.629   3.150
  235    HA   MET  36           HA       MET  36  40.328  17.260   5.749
  236    HB2  MET  36           HB2      MET  36  39.975  19.480   5.191
  237    HB3  MET  36           HB1      MET  36  40.164  18.761   3.592
  238    HG2  MET  36           HG2      MET  36  37.587  18.434   3.676
  239    HG3  MET  36           HG1      MET  36  37.630  19.621   4.980
  240    HE1  MET  36           HE1      MET  36  37.477  22.277   4.395
  241    HE2  MET  36           HE2      MET  36  38.950  22.780   3.570
  242    HE3  MET  36           HE3      MET  36  39.043  21.623   4.895
  243    H    LEU  37           HN       LEU  37  37.253  16.403   4.381
  244    HA   LEU  37           HA       LEU  37  35.595  17.456   6.444
  245    HB2  LEU  37           HB2      LEU  37  35.274  15.539   4.193
  246    HB3  LEU  37           HB1      LEU  37  34.103  15.435   5.508
  247    HG   LEU  37           HG       LEU  37  34.792  18.117   4.338
  248   HD11  LEU  37          HD11      LEU  37  33.253  15.912   3.059
  249   HD12  LEU  37          HD12      LEU  37  34.144  17.240   2.315
  250   HD13  LEU  37          HD13      LEU  37  32.538  17.522   2.989
  251   HD21  LEU  37          HD21      LEU  37  32.878  18.802   5.418
  252   HD22  LEU  37          HD22      LEU  37  33.251  17.413   6.437
  253   HD23  LEU  37          HD23      LEU  37  32.053  17.267   5.150
  254    H    VAL  38           HN       VAL  38  37.084  14.282   5.889
  255    HA   VAL  38           HA       VAL  38  35.939  12.925   8.064
  256    HB   VAL  38           HB       VAL  38  38.580  12.571   6.642
  257   HG11  VAL  38          HG11      VAL  38  38.209  10.190   7.798
  258   HG12  VAL  38          HG12      VAL  38  37.412  11.185   9.016
  259   HG13  VAL  38          HG13      VAL  38  39.102  11.477   8.607
  260   HG21  VAL  38          HG21      VAL  38  36.325  10.616   6.582
  261   HG22  VAL  38          HG22      VAL  38  37.459  11.060   5.306
  262   HG23  VAL  38          HG23      VAL  38  36.108  12.126   5.696
  263    H    PHE  39           HN       PHE  39  38.624  15.166   7.878
  264    HA   PHE  39           HA       PHE  39  39.759  14.605  10.422
  265    HB2  PHE  39           HB2      PHE  39  41.164  15.808   8.987
  266    HB3  PHE  39           HB1      PHE  39  39.888  16.933   8.525
  267    HD1  PHE  39           HD1      PHE  39  41.291  15.731  11.797
  268    HD2  PHE  39           HD2      PHE  39  40.295  19.091   9.312
  269    HE1  PHE  39           HE1      PHE  39  42.007  17.277  13.598
  270    HE2  PHE  39           HE2      PHE  39  41.011  20.636  11.114
  271    HZ   PHE  39           HZ       PHE  39  41.868  19.729  13.257
  272    H    LEU  40           HN       LEU  40  36.944  16.316   9.414
  273    HA   LEU  40           HA       LEU  40  36.651  17.539  12.089
  274    HB2  LEU  40           HB2      LEU  40  35.110  18.165   9.562
  275    HB3  LEU  40           HB1      LEU  40  35.059  19.058  11.082
  276    HG   LEU  40           HG       LEU  40  37.511  18.719   9.327
  277   HD11  LEU  40          HD11      LEU  40  36.265  20.288   8.162
  278   HD12  LEU  40          HD12      LEU  40  37.094  21.342   9.308
  279   HD13  LEU  40          HD13      LEU  40  35.427  20.850   9.608
  280   HD21  LEU  40          HD21      LEU  40  38.217  20.674  10.956
  281   HD22  LEU  40          HD22      LEU  40  38.382  18.996  11.474
  282   HD23  LEU  40          HD23      LEU  40  37.006  19.956  12.018
  283    H    LEU  41           HN       LEU  41  35.311  15.254   9.836
  284    HA   LEU  41           HA       LEU  41  32.956  14.847  11.556
  285    HB2  LEU  41           HB2      LEU  41  33.530  14.494   8.694
  286    HB3  LEU  41           HB1      LEU  41  32.656  13.145   9.416
  287    HG   LEU  41           HG       LEU  41  31.165  14.957   8.500
  288   HD11  LEU  41          HD11      LEU  41  29.701  14.163  10.008
  289   HD12  LEU  41          HD12      LEU  41  30.373  15.237  11.234
  290   HD13  LEU  41          HD13      LEU  41  31.038  13.618  11.021
  291   HD21  LEU  41          HD21      LEU  41  32.971  16.663   9.655
  292   HD22  LEU  41          HD22      LEU  41  31.669  16.677  10.846
  293   HD23  LEU  41          HD23      LEU  41  31.339  17.124   9.172
  294    H    GLY  42           HN       GLY  42  36.045  13.721  11.223
  295    HA2  GLY  42           HA2      GLY  42  35.708  10.904  11.403
  296    HA3  GLY  42           HA1      GLY  42  37.150  11.804  11.869
  297    H    THR  43           HN       THR  43  36.407  13.358  13.906
  298    HA   THR  43           HA       THR  43  35.027  11.649  15.868
  299    HB   THR  43           HB       THR  43  37.432  11.204  16.117
  300    HG1  THR  43           HG1      THR  43  36.771  12.935  18.221
  301   HG21  THR  43          HG21      THR  43  37.813  14.095  16.862
  302   HG22  THR  43          HG22      THR  43  37.994  13.568  15.189
  303   HG23  THR  43          HG23      THR  43  39.032  12.891  16.443
  304    H    THR  44           HN       THR  44  36.295  14.811  14.965
  305    HA   THR  44           HA       THR  44  35.297  16.313  17.120
  306    HB   THR  44           HB       THR  44  35.903  16.999  14.248
  307    HG1  THR  44           HG1      THR  44  37.454  18.318  15.572
  308   HG21  THR  44          HG21      THR  44  34.697  18.702  16.420
  309   HG22  THR  44          HG22      THR  44  34.224  18.579  14.726
  310   HG23  THR  44          HG23      THR  44  35.711  19.417  15.167
  311    H    GLY  45           HN       GLY  45  33.753  15.073  14.228
  312    HA2  GLY  45           HA2      GLY  45  31.341  16.631  14.557
  313    HA3  GLY  45           HA1      GLY  45  31.593  15.319  13.409
  314    H    ASN  46           HN       ASN  46  32.326  14.814  16.761
  315    HA   ASN  46           HA       ASN  46  29.738  13.693  17.421
  316    HB2  ASN  46           HB2      ASN  46  30.163  11.593  16.769
  317    HB3  ASN  46           HB1      ASN  46  31.804  12.027  16.293
  318   HD21  ASN  46          HD21      ASN  46  33.517  11.815  17.940
  319   HD22  ASN  46          HD22      ASN  46  33.276  10.846  19.313
  320    H    GLY  47           HN       GLY  47  29.434  14.260  19.468
  321    HA2  GLY  47           HA2      GLY  47  29.929  14.078  21.793
  322    HA3  GLY  47           HA1      GLY  47  31.639  13.955  21.392
  323    H    LEU  48           HN       LEU  48  29.419  16.340  20.058
  324    HA   LEU  48           HA       LEU  48  30.654  18.439  21.716
  325    HB2  LEU  48           HB2      LEU  48  31.011  18.038  18.851
  326    HB3  LEU  48           HB1      LEU  48  30.344  19.628  19.221
  327    HG   LEU  48           HG       LEU  48  32.746  18.484  20.666
  328   HD11  LEU  48          HD11      LEU  48  32.711  20.397  18.312
  329   HD12  LEU  48          HD12      LEU  48  33.191  18.702  18.222
  330   HD13  LEU  48          HD13      LEU  48  34.139  19.838  19.183
  331   HD21  LEU  48          HD21      LEU  48  31.086  20.677  21.177
  332   HD22  LEU  48          HD22      LEU  48  32.492  21.378  20.377
  333   HD23  LEU  48          HD23      LEU  48  32.699  20.417  21.841
  334    H    VAL  49           HN       VAL  49  28.052  17.395  19.590
  335    HA   VAL  49           HA       VAL  49  26.431  19.736  20.126
  336    HB   VAL  49           HB       VAL  49  26.255  18.620  17.959
  337   HG11  VAL  49          HG11      VAL  49  26.803  16.335  18.785
  338   HG12  VAL  49          HG12      VAL  49  25.349  16.354  17.787
  339   HG13  VAL  49          HG13      VAL  49  25.211  16.252  19.543
  340   HG21  VAL  49          HG21      VAL  49  24.201  19.574  19.403
  341   HG22  VAL  49          HG22      VAL  49  23.658  17.904  19.244
  342   HG23  VAL  49          HG23      VAL  49  23.967  18.872  17.803
  343    H    LEU  50           HN       LEU  50  27.252  17.096  21.918
  344    HA   LEU  50           HA       LEU  50  24.778  17.296  23.512
  345    HB2  LEU  50           HB2      LEU  50  24.832  14.885  23.926
  346    HB3  LEU  50           HB1      LEU  50  24.696  15.205  22.197
  347    HG   LEU  50           HG       LEU  50  27.433  15.174  22.601
  348   HD11  LEU  50          HD11      LEU  50  26.978  14.308  24.919
  349   HD12  LEU  50          HD12      LEU  50  27.933  13.207  23.925
  350   HD13  LEU  50          HD13      LEU  50  26.217  12.895  24.188
  351   HD21  LEU  50          HD21      LEU  50  26.215  14.140  20.733
  352   HD22  LEU  50          HD22      LEU  50  25.585  12.898  21.813
  353   HD23  LEU  50          HD23      LEU  50  27.312  12.968  21.462
  354    H    TRP  51           HN       TRP  51  28.022  17.746  23.397
  355    HA   TRP  51           HA       TRP  51  28.498  16.932  26.187
  356    HB2  TRP  51           HB2      TRP  51  30.293  16.151  24.929
  357    HB3  TRP  51           HB1      TRP  51  30.284  17.553  23.858
  358    HD1  TRP  51           HD1      TRP  51  30.370  17.535  27.716
  359    HE1  TRP  51           HE1      TRP  51  32.465  18.826  28.481
  360    HE3  TRP  51           HE3      TRP  51  32.516  18.500  23.184
  361    HZ2  TRP  51           HZ2      TRP  51  34.750  20.101  27.324
  362    HZ3  TRP  51           HZ3      TRP  51  34.649  19.753  23.045
  363    HH2  TRP  51           HH2      TRP  51  35.768  20.554  25.107
  364    H    THR  52           HN       THR  52  30.000  19.586  24.411
  365    HA   THR  52           HA       THR  52  29.973  21.361  26.590
  366    HB   THR  52           HB       THR  52  31.319  21.409  24.338
  367    HG1  THR  52           HG1      THR  52  30.361  23.879  25.298
  368   HG21  THR  52          HG21      THR  52  30.421  22.701  22.594
  369   HG22  THR  52          HG22      THR  52  29.171  23.395  23.627
  370   HG23  THR  52          HG23      THR  52  29.049  21.716  23.103
  371    H    VAL  53           HN       VAL  53  27.458  20.376  24.543
  372    HA   VAL  53           HA       VAL  53  25.904  22.772  24.507
  373    HB   VAL  53           HB       VAL  53  25.341  19.871  23.968
  374   HG11  VAL  53          HG11      VAL  53  23.372  22.111  24.395
  375   HG12  VAL  53          HG12      VAL  53  23.289  20.444  24.965
  376   HG13  VAL  53          HG13      VAL  53  23.012  20.808  23.263
  377   HG21  VAL  53          HG21      VAL  53  25.097  22.416  22.330
  378   HG22  VAL  53          HG22      VAL  53  24.816  20.781  21.734
  379   HG23  VAL  53          HG23      VAL  53  26.433  21.268  22.241
  380    H    PHE  54           HN       PHE  54  25.794  19.822  26.502
  381    HA   PHE  54           HA       PHE  54  23.622  20.400  28.105
  382    HB2  PHE  54           HB2      PHE  54  25.547  18.450  28.079
  383    HB3  PHE  54           HB1      PHE  54  25.915  19.298  29.581
  384    HD1  PHE  54           HD1      PHE  54  24.280  19.413  31.404
  385    HD2  PHE  54           HD2      PHE  54  23.416  17.305  27.763
  386    HE1  PHE  54           HE1      PHE  54  22.347  18.312  32.500
  387    HE2  PHE  54           HE2      PHE  54  21.483  16.204  28.859
  388    HZ   PHE  54           HZ       PHE  54  20.948  16.707  31.228
  389    H    ARG  55           HN       ARG  55  26.946  21.575  28.389
  390    HA   ARG  55           HA       ARG  55  26.410  23.022  30.835
  391    HB2  ARG  55           HB2      ARG  55  28.770  23.119  28.940
  392    HB3  ARG  55           HB1      ARG  55  28.701  23.900  30.521
  393    HG2  ARG  55           HG2      ARG  55  29.299  21.980  31.523
  394    HG3  ARG  55           HG1      ARG  55  27.906  21.159  30.817
  395    HD2  ARG  55           HD2      ARG  55  29.162  20.703  28.776
  396    HD3  ARG  55           HD1      ARG  55  30.538  21.616  29.386
  397    HE   ARG  55           HE       ARG  55  29.810  18.915  30.106
  398   HH11  ARG  55          HH21      ARG  55  31.393  21.837  31.073
  399   HH12  ARG  55          HH22      ARG  55  32.462  21.051  32.188
  400   HH21  ARG  55          HH11      ARG  55  31.209  17.879  31.564
  401   HH22  ARG  55          HH12      ARG  55  32.358  18.811  32.465
  402    H    LYS  56           HN       LYS  56  26.543  23.716  27.393
  403    HA   LYS  56           HA       LYS  56  26.603  26.524  27.508
  404    HB2  LYS  56           HB2      LYS  56  26.894  25.036  25.460
  405    HB3  LYS  56           HB1      LYS  56  25.134  24.919  25.416
  406    HG2  LYS  56           HG2      LYS  56  25.200  26.824  24.197
  407    HG3  LYS  56           HG1      LYS  56  25.554  27.634  25.723
  408    HD2  LYS  56           HD2      LYS  56  28.015  27.092  25.271
  409    HD3  LYS  56           HD1      LYS  56  27.514  26.673  23.633
  410    HE2  LYS  56           HE2      LYS  56  27.479  29.349  24.997
  411    HE3  LYS  56           HE1      LYS  56  28.062  28.928  23.386
  412    HZ1  LYS  56           HZ1      LYS  56  25.930  28.842  22.542
  413    HZ2  LYS  56           HZ2      LYS  56  25.831  30.152  23.619
  414    HZ3  LYS  56           HZ3      LYS  56  25.209  28.634  24.063
  415    H    LYS  57           HN       LYS  57  23.816  24.316  27.203
  416    HA   LYS  57           HA       LYS  57  21.786  26.223  27.236
  417    HB2  LYS  57           HB2      LYS  57  21.102  24.038  26.732
  418    HB3  LYS  57           HB1      LYS  57  21.918  23.357  28.140
  419    HG2  LYS  57           HG2      LYS  57  20.273  24.124  29.626
  420    HG3  LYS  57           HG1      LYS  57  19.692  25.350  28.499
  421    HD2  LYS  57           HD2      LYS  57  18.718  23.654  27.064
  422    HD3  LYS  57           HD1      LYS  57  19.428  22.366  28.038
  423    HE2  LYS  57           HE2      LYS  57  17.896  22.613  29.734
  424    HE3  LYS  57           HE1      LYS  57  17.717  24.347  29.462
  425    HZ1  LYS  57           HZ1      LYS  57  15.777  22.883  28.815
  426    HZ2  LYS  57           HZ2      LYS  57  16.734  22.344  27.519
  427    HZ3  LYS  57           HZ3      LYS  57  16.314  23.986  27.645
  428    H    GLY  58           HN       GLY  58  23.760  24.992  29.833
  429    HA2  GLY  58           HA2      GLY  58  23.962  25.620  32.037
  430    HA3  GLY  58           HA1      GLY  58  23.112  27.098  31.595
  431    H    HIS  59           HN       HIS  59  20.708  26.898  31.370
  432    HA   HIS  59           HA       HIS  59  19.469  24.728  32.871
  433    HB2  HIS  59           HB2      HIS  59  18.511  26.090  34.573
  434    HB3  HIS  59           HB1      HIS  59  20.228  26.494  34.541
  435    HD2  HIS  59           HD2      HIS  59  19.865  28.533  31.806
  436    HE1  HIS  59           HE1      HIS  59  17.521  30.777  34.508
  437    HE2  HIS  59           HE2      HIS  59  18.771  30.853  32.299
  438    H    HIS  60           HN       HIS  60  17.002  25.933  33.305
  439    HA   HIS  60           HA       HIS  60  15.585  25.523  31.022
  440    HB2  HIS  60           HB2      HIS  60  14.798  26.179  33.430
  441    HB3  HIS  60           HB1      HIS  60  14.778  27.817  32.777
  442    HD2  HIS  60           HD2      HIS  60  12.392  24.915  32.987
  443    HE1  HIS  60           HE1      HIS  60  11.217  27.021  29.522
  444    HE2  HIS  60           HE2      HIS  60  10.533  25.223  31.180
  445    H    HIS  61           HN       HIS  61  15.739  26.352  29.047
  446    HA   HIS  61           HA       HIS  61  17.244  28.433  28.158
  447    HB2  HIS  61           HB2      HIS  61  16.058  26.899  26.654
  448    HB3  HIS  61           HB1      HIS  61  14.521  27.647  27.091
  449    HD2  HIS  61           HD2      HIS  61  17.732  29.812  26.292
  450    HE1  HIS  61           HE1      HIS  61  14.840  30.541  23.304
  451    HE2  HIS  61           HE2      HIS  61  17.111  31.241  24.197
  452    H    HIS  62           HN       HIS  62  13.801  28.681  29.065
  453    HA   HIS  62           HA       HIS  62  12.533  30.472  29.744
  454    HB2  HIS  62           HB2      HIS  62  14.794  30.579  31.240
  455    HB3  HIS  62           HB1      HIS  62  14.864  32.151  30.443
  456    HD2  HIS  62           HD2      HIS  62  13.768  31.397  33.715
  457    HE1  HIS  62           HE1      HIS  62  10.342  33.371  32.237
  458    HE2  HIS  62           HE2      HIS  62  11.529  32.586  34.340
  459    H    HIS  63           HN       HIS  63  13.134  33.236  29.688
  460    HA   HIS  63           HA       HIS  63  14.127  34.048  27.137
  461    HB2  HIS  63           HB2      HIS  63  11.925  34.814  26.222
  462    HB3  HIS  63           HB1      HIS  63  12.094  33.060  26.280
  463    HD2  HIS  63           HD2      HIS  63  10.029  31.822  27.638
  464    HE1  HIS  63           HE1      HIS  63   8.602  35.190  29.748
  465    HE2  HIS  63           HE2      HIS  63   8.197  32.730  29.262
  466    H    HIS  64           HN       HIS  64  14.605  34.862  29.763
  467    HA   HIS  64           HA       HIS  64  13.112  37.095  30.612
  468    HB2  HIS  64           HB2      HIS  64  14.641  36.056  32.144
  469    HB3  HIS  64           HB1      HIS  64  16.004  36.336  31.060
  470    HD2  HIS  64           HD2      HIS  64  17.206  38.839  31.343
  471    HE1  HIS  64           HE1      HIS  64  14.344  40.525  33.949
  472    HE2  HIS  64           HE2      HIS  64  16.600  40.889  32.841
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  29.849 -22.529   6.158
    2    H2   MET   1           HT2      MET   1  31.022 -21.454   5.561
    3    H3   MET   1           HT3      MET   1  30.620 -21.446   7.212
    4    HA   MET   1           HA       MET   1  31.363 -24.042   6.666
    5    HB2  MET   1           HB2      MET   1  33.444 -22.109   5.620
    6    HB3  MET   1           HB1      MET   1  33.484 -23.872   5.573
    7    HG2  MET   1           HG2      MET   1  31.284 -23.647   4.191
    8    HG3  MET   1           HG1      MET   1  31.807 -21.982   3.938
    9    HE1  MET   1           HE1      MET   1  32.193 -25.674   2.975
   10    HE2  MET   1           HE2      MET   1  32.716 -25.293   1.336
   11    HE3  MET   1           HE3      MET   1  31.277 -24.520   1.996
   12    H    GLU   2           HN       GLU   2  31.715 -24.438   8.760
   13    HA   GLU   2           HA       GLU   2  32.380 -24.158  10.951
   14    HB2  GLU   2           HB2      GLU   2  34.783 -23.289   9.352
   15    HB3  GLU   2           HB1      GLU   2  34.819 -23.382  11.113
   16    HG2  GLU   2           HG2      GLU   2  34.470 -25.706  11.125
   17    HG3  GLU   2           HG1      GLU   2  33.832 -25.711   9.482
   18    H    GLU   3           HN       GLU   3  30.688 -22.140  10.262
   19    HA   GLU   3           HA       GLU   3  31.484 -19.512  10.402
   20    HB2  GLU   3           HB2      GLU   3  29.055 -21.002  11.217
   21    HB3  GLU   3           HB1      GLU   3  29.253 -19.397  11.922
   22    HG2  GLU   3           HG2      GLU   3  29.568 -19.909   8.959
   23    HG3  GLU   3           HG1      GLU   3  28.015 -19.496   9.685
   24    H    GLY   4           HN       GLY   4  31.867 -18.025  12.058
   25    HA2  GLY   4           HA2      GLY   4  32.070 -18.969  14.812
   26    HA3  GLY   4           HA1      GLY   4  33.582 -18.490  14.045
   27    H    GLY   5           HN       GLY   5  32.706 -16.338  12.506
   28    HA2  GLY   5           HA2      GLY   5  31.082 -14.425  13.649
   29    HA3  GLY   5           HA1      GLY   5  32.630 -14.260  14.473
   30    H    ASP   6           HN       ASP   6  31.367 -12.322  12.741
   31    HA   ASP   6           HA       ASP   6  32.388 -12.272  10.134
   32    HB2  ASP   6           HB2      ASP   6  31.407 -10.225  12.063
   33    HB3  ASP   6           HB1      ASP   6  32.309  -9.659  10.659
   34    H    PHE   7           HN       PHE   7  34.539 -13.170  10.418
   35    HA   PHE   7           HA       PHE   7  36.528 -11.074  10.669
   36    HB2  PHE   7           HB2      PHE   7  36.576 -13.468  12.522
   37    HB3  PHE   7           HB1      PHE   7  37.879 -12.293  12.339
   38    HD1  PHE   7           HD2      PHE   7  37.429  -9.858  12.885
   39    HD2  PHE   7           HD1      PHE   7  34.691 -13.010  13.895
   40    HE1  PHE   7           HE2      PHE   7  36.315  -8.365  14.521
   41    HE2  PHE   7           HE1      PHE   7  33.576 -11.515  15.531
   42    HZ   PHE   7           HZ       PHE   7  34.388  -9.194  15.844
   43    H    ASP   8           HN       ASP   8  38.055 -13.903  11.331
   44    HA   ASP   8           HA       ASP   8  39.523 -15.139  10.040
   45    HB2  ASP   8           HB2      ASP   8  37.157 -16.205   9.832
   46    HB3  ASP   8           HB1      ASP   8  37.202 -15.577   8.185
   47    H    ASN   9           HN       ASN   9  39.014 -12.235   9.246
   48    HA   ASN   9           HA       ASN   9  40.348 -12.431   6.631
   49    HB2  ASN   9           HB2      ASN   9  37.908 -12.002   6.266
   50    HB3  ASN   9           HB1      ASN   9  38.079 -10.509   7.188
   51   HD21  ASN   9          HD21      ASN   9  40.505 -11.834   4.918
   52   HD22  ASN   9          HD22      ASN   9  40.407 -10.546   3.818
   53    H    TYR  10           HN       TYR  10  41.206 -11.836   9.404
   54    HA   TYR  10           HA       TYR  10  42.660 -10.402  10.455
   55    HB2  TYR  10           HB2      TYR  10  42.895  -8.864   7.877
   56    HB3  TYR  10           HB1      TYR  10  44.116  -9.118   9.125
   57    HD1  TYR  10           HD2      TYR  10  44.949 -11.518   9.526
   58    HD2  TYR  10           HD1      TYR  10  42.731 -10.338   6.041
   59    HE1  TYR  10           HE2      TYR  10  45.757 -13.533   8.329
   60    HE2  TYR  10           HE1      TYR  10  43.539 -12.353   4.844
   61    HH   TYR  10           HH       TYR  10  44.388 -14.648   5.477
   62    H    TYR  11           HN       TYR  11  41.152  -8.214   8.077
   63    HA   TYR  11           HA       TYR  11  39.773  -6.390   8.356
   64    HB2  TYR  11           HB2      TYR  11  38.870  -8.135  10.258
   65    HB3  TYR  11           HB1      TYR  11  39.324  -6.744  11.243
   66    HD1  TYR  11           HD2      TYR  11  38.803  -4.463   9.513
   67    HD2  TYR  11           HD1      TYR  11  36.537  -8.080  10.011
   68    HE1  TYR  11           HE2      TYR  11  36.748  -3.277   8.789
   69    HE2  TYR  11           HE1      TYR  11  34.484  -6.893   9.286
   70    HH   TYR  11           HH       TYR  11  33.935  -3.955   9.363
   71    H    GLY  12           HN       GLY  12  41.387  -6.784  11.519
   72    HA2  GLY  12           HA2      GLY  12  42.040  -3.989  11.668
   73    HA3  GLY  12           HA1      GLY  12  42.553  -5.244  12.793
   74    H    ALA  13           HN       ALA  13  43.082  -5.286   9.308
   75    HA   ALA  13           HA       ALA  13  45.967  -5.477   9.786
   76    HB1  ALA  13           HB1      ALA  13  45.244  -7.180   8.335
   77    HB2  ALA  13           HB2      ALA  13  45.929  -5.969   7.250
   78    HB3  ALA  13           HB3      ALA  13  44.180  -6.091   7.443
   79    H    ASP  14           HN       ASP  14  44.884  -4.316   6.735
   80    HA   ASP  14           HA       ASP  14  46.599  -2.119   6.661
   81    HB2  ASP  14           HB2      ASP  14  44.015  -2.561   5.147
   82    HB3  ASP  14           HB1      ASP  14  45.234  -1.356   4.736
   83    H    ASN  15           HN       ASN  15  43.589  -2.489   8.256
   84    HA   ASN  15           HA       ASN  15  42.542   0.091   8.259
   85    HB2  ASN  15           HB2      ASN  15  42.429  -2.231  10.118
   86    HB3  ASN  15           HB1      ASN  15  41.899  -0.668  10.738
   87   HD21  ASN  15          HD21      ASN  15  41.474  -2.606   7.711
   88   HD22  ASN  15          HD22      ASN  15  39.819  -2.259   7.560
   89    H    GLN  16           HN       GLN  16  45.080  -1.325  10.286
   90    HA   GLN  16           HA       GLN  16  45.530   1.295  11.548
   91    HB2  GLN  16           HB2      GLN  16  47.108  -1.113  12.317
   92    HB3  GLN  16           HB1      GLN  16  46.471   0.186  13.325
   93    HG2  GLN  16           HG2      GLN  16  44.140  -0.753  12.727
   94    HG3  GLN  16           HG1      GLN  16  45.005  -2.191  12.188
   95   HE21  GLN  16          HE21      GLN  16  43.177  -2.040  14.507
   96   HE22  GLN  16          HE22      GLN  16  44.106  -2.435  15.872
   97    H    SER  17           HN       SER  17  46.222   1.110   8.842
   98    HA   SER  17           HA       SER  17  49.141   1.439   9.033
   99    HB2  SER  17           HB2      SER  17  48.206  -0.815   7.937
  100    HB3  SER  17           HB1      SER  17  48.071   0.236   6.531
  101    HG   SER  17           HG       SER  17  50.187  -0.955   7.187
  102    H    GLU  18           HN       GLU  18  49.921   2.418   6.824
  103    HA   GLU  18           HA       GLU  18  49.028   4.991   6.574
  104    HB2  GLU  18           HB2      GLU  18  49.946   3.476   4.142
  105    HB3  GLU  18           HB1      GLU  18  50.281   5.148   4.594
  106    HG2  GLU  18           HG2      GLU  18  52.263   4.293   5.322
  107    HG3  GLU  18           HG1      GLU  18  51.320   3.836   6.740
  108    H    CYS  19           HN       CYS  19  46.769   5.126   6.656
  109    HA   CYS  19           HA       CYS  19  45.184   3.879   4.555
  110    HB2  CYS  19           HB2      CYS  19  44.357   4.054   6.908
  111    HB3  CYS  19           HB1      CYS  19  44.310   5.807   6.718
  112    HG   CYS  19           HG       CYS  19  42.713   4.197   4.617
  113    H    GLU  20           HN       GLU  20  46.075   7.156   5.611
  114    HA   GLU  20           HA       GLU  20  45.566   8.099   2.869
  115    HB2  GLU  20           HB2      GLU  20  44.675   9.651   5.303
  116    HB3  GLU  20           HB1      GLU  20  44.335  10.008   3.610
  117    HG2  GLU  20           HG2      GLU  20  43.253   7.616   3.609
  118    HG3  GLU  20           HG1      GLU  20  43.183   7.852   5.355
  119    H    TYR  21           HN       TYR  21  48.058   7.531   3.647
  120    HA   TYR  21           HA       TYR  21  49.258  10.198   3.989
  121    HB2  TYR  21           HB2      TYR  21  50.038   7.701   5.509
  122    HB3  TYR  21           HB1      TYR  21  51.007   9.174   5.456
  123    HD1  TYR  21           HD2      TYR  21  47.594   7.906   6.311
  124    HD2  TYR  21           HD1      TYR  21  50.552  10.960   6.924
  125    HE1  TYR  21           HE2      TYR  21  46.210   8.884   8.123
  126    HE2  TYR  21           HE1      TYR  21  49.168  11.937   8.735
  127    HH   TYR  21           HH       TYR  21  46.068  11.440   9.150
  128    H    THR  22           HN       THR  22  48.853   7.726   1.998
  129    HA   THR  22           HA       THR  22  51.126   8.322   0.398
  130    HB   THR  22           HB       THR  22  52.226   6.910   2.135
  131    HG1  THR  22           HG1      THR  22  53.272   5.662   0.632
  132   HG21  THR  22          HG21      THR  22  50.781   4.532   1.033
  133   HG22  THR  22          HG22      THR  22  49.987   5.496   2.279
  134   HG23  THR  22          HG23      THR  22  51.549   4.746   2.606
  135    H    ASP  23           HN       ASP  23  48.500   6.122   1.195
  136    HA   ASP  23           HA       ASP  23  48.300   5.171  -1.557
  137    HB2  ASP  23           HB2      ASP  23  46.348   3.878  -0.641
  138    HB3  ASP  23           HB1      ASP  23  47.885   3.528   0.147
  139    H    TRP  24           HN       TRP  24  48.005   7.717  -1.891
  140    HA   TRP  24           HA       TRP  24  45.333   8.057  -2.813
  141    HB2  TRP  24           HB2      TRP  24  44.723   9.986  -1.383
  142    HB3  TRP  24           HB1      TRP  24  44.863   8.491  -0.456
  143    HD1  TRP  24           HD1      TRP  24  47.347   8.121   0.759
  144    HE1  TRP  24           HE1      TRP  24  48.820   9.882   1.935
  145    HE3  TRP  24           HE3      TRP  24  45.396  12.391  -1.254
  146    HZ2  TRP  24           HZ2      TRP  24  49.129  12.724   2.011
  147    HZ3  TRP  24           HZ3      TRP  24  46.298  14.608  -0.613
  148    HH2  TRP  24           HH2      TRP  24  48.160  14.779   1.016
  149    H    LYS  25           HN       LYS  25  47.967  10.120  -1.551
  150    HA   LYS  25           HA       LYS  25  49.042  11.925  -2.501
  151    HB2  LYS  25           HB2      LYS  25  49.247   9.635  -4.262
  152    HB3  LYS  25           HB1      LYS  25  49.303  11.141  -5.179
  153    HG2  LYS  25           HG2      LYS  25  51.563  10.478  -4.448
  154    HG3  LYS  25           HG1      LYS  25  51.073  11.990  -3.680
  155    HD2  LYS  25           HD2      LYS  25  51.189  11.075  -1.622
  156    HD3  LYS  25           HD1      LYS  25  50.229   9.682  -2.121
  157    HE2  LYS  25           HE2      LYS  25  53.193  10.035  -2.654
  158    HE3  LYS  25           HE1      LYS  25  52.504   9.011  -1.395
  159    HZ1  LYS  25           HZ1      LYS  25  51.188   8.295  -3.687
  160    HZ2  LYS  25           HZ2      LYS  25  52.429   7.421  -2.921
  161    HZ3  LYS  25           HZ3      LYS  25  52.797   8.497  -4.183
  162    H    SER  26           HN       SER  26  45.968  11.557  -2.887
  163    HA   SER  26           HA       SER  26  44.341  13.038  -3.608
  164    HB2  SER  26           HB2      SER  26  46.199  14.541  -5.377
  165    HB3  SER  26           HB1      SER  26  44.923  15.136  -4.319
  166    HG   SER  26           HG       SER  26  46.780  13.930  -2.839
  167    H    SER  27           HN       SER  27  43.082  11.809  -4.880
  168    HA   SER  27           HA       SER  27  43.963  10.649  -7.340
  169    HB2  SER  27           HB2      SER  27  41.744   9.796  -7.534
  170    HB3  SER  27           HB1      SER  27  42.138   9.755  -5.818
  171    HG   SER  27           HG       SER  27  41.127  11.956  -5.837
  172    H    GLY  28           HN       GLY  28  43.362  13.780  -6.621
  173    HA2  GLY  28           HA2      GLY  28  43.629  15.060  -8.889
  174    HA3  GLY  28           HA1      GLY  28  42.001  14.436  -9.141
  175    H    ALA  29           HN       ALA  29  43.698  15.854  -6.336
  176    HA   ALA  29           HA       ALA  29  43.008  17.446  -4.819
  177    HB1  ALA  29           HB1      ALA  29  42.098  19.533  -5.913
  178    HB2  ALA  29           HB2      ALA  29  42.132  18.660  -7.445
  179    HB3  ALA  29           HB3      ALA  29  43.632  18.962  -6.568
  180    H    LEU  30           HN       LEU  30  41.098  15.254  -5.555
  181    HA   LEU  30           HA       LEU  30  38.547  16.604  -4.906
  182    HB2  LEU  30           HB2      LEU  30  38.512  15.303  -6.992
  183    HB3  LEU  30           HB1      LEU  30  39.031  13.867  -6.107
  184    HG   LEU  30           HG       LEU  30  36.714  15.145  -4.870
  185   HD11  LEU  30          HD11      LEU  30  35.123  14.410  -6.661
  186   HD12  LEU  30          HD12      LEU  30  36.505  14.141  -7.724
  187   HD13  LEU  30          HD13      LEU  30  36.138  15.768  -7.151
  188   HD21  LEU  30          HD21      LEU  30  37.547  12.870  -4.364
  189   HD22  LEU  30          HD22      LEU  30  37.213  12.382  -6.025
  190   HD23  LEU  30          HD23      LEU  30  35.884  12.822  -4.951
  191    H    ILE  31           HN       ILE  31  40.902  14.277  -3.851
  192    HA   ILE  31           HA       ILE  31  39.308  12.943  -1.921
  193    HB   ILE  31           HB       ILE  31  42.113  12.990  -2.725
  194   HG12  ILE  31          HG12      ILE  31  41.901  10.608  -2.182
  195   HG13  ILE  31          HG11      ILE  31  40.363  10.917  -1.377
  196   HG21  ILE  31          HG21      ILE  31  42.945  12.069  -0.546
  197   HG22  ILE  31          HG22      ILE  31  41.449  12.597   0.214
  198   HG23  ILE  31          HG23      ILE  31  42.566  13.786  -0.468
  199   HD11  ILE  31          HD11      ILE  31  39.235  10.993  -3.337
  200   HD12  ILE  31          HD12      ILE  31  40.670  10.260  -4.051
  201   HD13  ILE  31          HD13      ILE  31  40.462  12.010  -4.093
  202    HA   PRO  32           HA       PRO  32  41.343  16.253   1.085
  203    HB2  PRO  32           HB2      PRO  32  41.117  18.611  -0.707
  204    HB3  PRO  32           HB1      PRO  32  42.410  18.173   0.425
  205    HG2  PRO  32           HG2      PRO  32  42.719  17.956  -2.217
  206    HG3  PRO  32           HG1      PRO  32  43.453  16.804  -1.088
  207    HD2  PRO  32           HD2      PRO  32  41.049  16.459  -2.837
  208    HD3  PRO  32           HD1      PRO  32  42.285  15.270  -2.368
  209    H    ALA  33           HN       ALA  33  38.860  16.893  -1.319
  210    HA   ALA  33           HA       ALA  33  37.256  18.630   0.267
  211    HB1  ALA  33           HB1      ALA  33  36.178  18.820  -1.685
  212    HB2  ALA  33           HB2      ALA  33  35.643  17.144  -1.567
  213    HB3  ALA  33           HB3      ALA  33  37.173  17.527  -2.354
  214    H    ILE  34           HN       ILE  34  36.550  15.272  -0.728
  215    HA   ILE  34           HA       ILE  34  34.494  14.795   1.079
  216    HB   ILE  34           HB       ILE  34  36.514  12.908  -0.142
  217   HG12  ILE  34          HG12      ILE  34  33.570  13.235  -0.750
  218   HG13  ILE  34          HG11      ILE  34  34.798  14.215  -1.551
  219   HG21  ILE  34          HG21      ILE  34  34.128  12.396   1.634
  220   HG22  ILE  34          HG22      ILE  34  35.755  11.728   1.763
  221   HG23  ILE  34          HG23      ILE  34  34.680  11.189   0.473
  222   HD11  ILE  34          HD11      ILE  34  34.961  11.200  -1.476
  223   HD12  ILE  34          HD12      ILE  34  35.828  12.311  -2.535
  224   HD13  ILE  34          HD13      ILE  34  34.097  12.057  -2.751
  225    H    TYR  35           HN       TYR  35  37.968  14.682   1.545
  226    HA   TYR  35           HA       TYR  35  37.873  13.366   4.094
  227    HB2  TYR  35           HB2      TYR  35  39.942  13.137   3.044
  228    HB3  TYR  35           HB1      TYR  35  39.976  14.823   2.526
  229    HD1  TYR  35           HD1      TYR  35  40.080  12.654   5.569
  230    HD2  TYR  35           HD2      TYR  35  41.053  16.462   3.835
  231    HE1  TYR  35           HE1      TYR  35  41.356  13.257   7.608
  232    HE2  TYR  35           HE2      TYR  35  42.329  17.064   5.875
  233    HH   TYR  35           HH       TYR  35  42.414  16.440   8.239
  234    H    MET  36           HN       MET  36  37.413  16.599   2.993
  235    HA   MET  36           HA       MET  36  37.994  17.844   5.544
  236    HB2  MET  36           HB2      MET  36  38.363  19.081   3.456
  237    HB3  MET  36           HB1      MET  36  36.647  18.946   3.066
  238    HG2  MET  36           HG2      MET  36  36.008  20.409   4.773
  239    HG3  MET  36           HG1      MET  36  37.485  20.133   5.696
  240    HE1  MET  36           HE1      MET  36  36.865  22.762   2.002
  241    HE2  MET  36           HE2      MET  36  35.682  21.791   2.875
  242    HE3  MET  36           HE3      MET  36  36.871  21.000   1.844
  243    H    LEU  37           HN       LEU  37  35.134  16.891   3.693
  244    HA   LEU  37           HA       LEU  37  33.251  17.998   5.545
  245    HB2  LEU  37           HB2      LEU  37  32.758  15.772   3.561
  246    HB3  LEU  37           HB1      LEU  37  31.578  16.896   4.235
  247    HG   LEU  37           HG       LEU  37  33.899  17.631   2.427
  248   HD11  LEU  37          HD11      LEU  37  32.302  17.956   0.718
  249   HD12  LEU  37          HD12      LEU  37  30.954  17.951   1.856
  250   HD13  LEU  37          HD13      LEU  37  31.796  16.447   1.480
  251   HD21  LEU  37          HD21      LEU  37  32.486  19.851   2.454
  252   HD22  LEU  37          HD22      LEU  37  33.612  19.524   3.771
  253   HD23  LEU  37          HD23      LEU  37  31.888  19.228   3.992
  254    H    VAL  38           HN       VAL  38  35.426  15.866   6.284
  255    HA   VAL  38           HA       VAL  38  33.625  14.330   8.036
  256    HB   VAL  38           HB       VAL  38  35.752  13.233   6.207
  257   HG11  VAL  38          HG11      VAL  38  34.736  12.155   8.834
  258   HG12  VAL  38          HG12      VAL  38  36.397  12.248   8.251
  259   HG13  VAL  38          HG13      VAL  38  35.285  11.065   7.561
  260   HG21  VAL  38          HG21      VAL  38  32.899  12.428   6.866
  261   HG22  VAL  38          HG22      VAL  38  33.946  11.609   5.706
  262   HG23  VAL  38          HG23      VAL  38  33.422  13.266   5.405
  263    H    PHE  39           HN       PHE  39  36.576  16.003   7.480
  264    HA   PHE  39           HA       PHE  39  38.006  15.051   9.771
  265    HB2  PHE  39           HB2      PHE  39  39.440  16.006   8.225
  266    HB3  PHE  39           HB1      PHE  39  38.322  17.314   7.838
  267    HD1  PHE  39           HD1      PHE  39  39.666  16.046  11.102
  268    HD2  PHE  39           HD2      PHE  39  39.343  19.352   8.377
  269    HE1  PHE  39           HE1      PHE  39  40.811  17.512  12.743
  270    HE2  PHE  39           HE2      PHE  39  40.488  20.817  10.017
  271    HZ   PHE  39           HZ       PHE  39  41.222  19.897  12.200
  272    H    LEU  40           HN       LEU  40  35.893  17.803   9.102
  273    HA   LEU  40           HA       LEU  40  36.014  18.564  11.952
  274    HB2  LEU  40           HB2      LEU  40  34.975  20.700  11.166
  275    HB3  LEU  40           HB1      LEU  40  36.566  20.393  10.471
  276    HG   LEU  40           HG       LEU  40  34.476  19.186   8.856
  277   HD11  LEU  40          HD11      LEU  40  33.122  21.050   9.769
  278   HD12  LEU  40          HD12      LEU  40  33.457  21.278   8.053
  279   HD13  LEU  40          HD13      LEU  40  34.364  22.192   9.258
  280   HD21  LEU  40          HD21      LEU  40  36.525  21.366   8.334
  281   HD22  LEU  40          HD22      LEU  40  35.631  20.487   7.094
  282   HD23  LEU  40          HD23      LEU  40  36.787  19.636   8.117
  283    H    LEU  41           HN       LEU  41  34.096  16.998   9.646
  284    HA   LEU  41           HA       LEU  41  31.798  17.057  11.484
  285    HB2  LEU  41           HB2      LEU  41  31.819  17.819   8.586
  286    HB3  LEU  41           HB1      LEU  41  30.389  17.044   9.268
  287    HG   LEU  41           HG       LEU  41  31.627  19.341  10.745
  288   HD11  LEU  41          HD11      LEU  41  31.442  20.128   8.414
  289   HD12  LEU  41          HD12      LEU  41  30.239  20.913   9.438
  290   HD13  LEU  41          HD13      LEU  41  29.761  19.597   8.365
  291   HD21  LEU  41          HD21      LEU  41  29.562  17.751  11.347
  292   HD22  LEU  41          HD22      LEU  41  28.699  18.900  10.324
  293   HD23  LEU  41          HD23      LEU  41  29.552  19.465  11.760
  294    H    GLY  42           HN       GLY  42  33.088  14.955  11.862
  295    HA2  GLY  42           HA2      GLY  42  31.656  12.741  11.230
  296    HA3  GLY  42           HA1      GLY  42  32.762  12.884   9.867
  297    H    THR  43           HN       THR  43  34.701  14.196  11.860
  298    HA   THR  43           HA       THR  43  35.652  11.705  13.144
  299    HB   THR  43           HB       THR  43  37.116  13.753  11.512
  300    HG1  THR  43           HG1      THR  43  36.409  11.632  10.760
  301   HG21  THR  43          HG21      THR  43  39.220  12.608  12.510
  302   HG22  THR  43          HG22      THR  43  38.165  12.179  13.856
  303   HG23  THR  43          HG23      THR  43  38.437  13.875  13.454
  304    H    THR  44           HN       THR  44  35.584  15.243  13.231
  305    HA   THR  44           HA       THR  44  36.924  15.781  15.570
  306    HB   THR  44           HB       THR  44  35.616  17.347  13.915
  307    HG1  THR  44           HG1      THR  44  35.281  18.523  16.271
  308   HG21  THR  44          HG21      THR  44  33.419  16.234  14.750
  309   HG22  THR  44          HG22      THR  44  33.449  17.987  14.560
  310   HG23  THR  44          HG23      THR  44  33.614  17.272  16.162
  311    H    GLY  45           HN       GLY  45  34.121  13.895  15.187
  312    HA2  GLY  45           HA2      GLY  45  32.554  14.200  17.380
  313    HA3  GLY  45           HA1      GLY  45  33.000  12.612  16.762
  314    H    ASN  46           HN       ASN  46  34.603  11.421  17.789
  315    HA   ASN  46           HA       ASN  46  35.847  12.598  20.184
  316    HB2  ASN  46           HB2      ASN  46  34.175  10.087  20.079
  317    HB3  ASN  46           HB1      ASN  46  35.332  10.402  21.371
  318   HD21  ASN  46          HD21      ASN  46  35.027  12.972  22.096
  319   HD22  ASN  46          HD22      ASN  46  33.418  13.343  22.487
  320    H    GLY  47           HN       GLY  47  35.938   9.202  19.883
  321    HA2  GLY  47           HA2      GLY  47  37.780   7.812  19.646
  322    HA3  GLY  47           HA1      GLY  47  37.819   8.545  18.045
  323    H    LEU  48           HN       LEU  48  38.291  10.570  20.810
  324    HA   LEU  48           HA       LEU  48  41.215  10.550  20.402
  325    HB2  LEU  48           HB2      LEU  48  39.362  12.932  20.402
  326    HB3  LEU  48           HB1      LEU  48  41.091  13.081  20.719
  327    HG   LEU  48           HG       LEU  48  40.263  11.512  18.319
  328   HD11  LEU  48          HD11      LEU  48  40.116  13.599  16.983
  329   HD12  LEU  48          HD12      LEU  48  40.211  14.542  18.470
  330   HD13  LEU  48          HD13      LEU  48  38.822  13.496  18.177
  331   HD21  LEU  48          HD21      LEU  48  42.637  11.781  18.995
  332   HD22  LEU  48          HD22      LEU  48  42.463  13.531  18.868
  333   HD23  LEU  48          HD23      LEU  48  42.322  12.524  17.427
  334    H    VAL  49           HN       VAL  49  38.510  10.662  22.490
  335    HA   VAL  49           HA       VAL  49  39.905  11.719  24.788
  336    HB   VAL  49           HB       VAL  49  37.255  10.270  24.568
  337   HG11  VAL  49          HG11      VAL  49  37.635  10.090  26.824
  338   HG12  VAL  49          HG12      VAL  49  37.081  11.765  26.810
  339   HG13  VAL  49          HG13      VAL  49  38.808  11.406  26.836
  340   HG21  VAL  49          HG21      VAL  49  36.264  12.471  24.614
  341   HG22  VAL  49          HG22      VAL  49  37.492  12.477  23.347
  342   HG23  VAL  49          HG23      VAL  49  37.831  13.227  24.906
  343    H    LEU  50           HN       LEU  50  40.503   9.037  23.190
  344    HA   LEU  50           HA       LEU  50  41.191   7.536  25.630
  345    HB2  LEU  50           HB2      LEU  50  40.639   5.432  24.214
  346    HB3  LEU  50           HB1      LEU  50  39.307   6.313  24.960
  347    HG   LEU  50           HG       LEU  50  40.126   7.236  22.260
  348   HD11  LEU  50          HD11      LEU  50  38.773   5.422  21.191
  349   HD12  LEU  50          HD12      LEU  50  38.713   4.596  22.747
  350   HD13  LEU  50          HD13      LEU  50  40.258   4.825  21.929
  351   HD21  LEU  50          HD21      LEU  50  38.176   8.036  23.774
  352   HD22  LEU  50          HD22      LEU  50  37.373   6.544  23.287
  353   HD23  LEU  50          HD23      LEU  50  37.823   7.740  22.072
  354    H    TRP  51           HN       TRP  51  42.418   9.175  23.227
  355    HA   TRP  51           HA       TRP  51  44.418   7.182  22.390
  356    HB2  TRP  51           HB2      TRP  51  44.142   8.179  20.400
  357    HB3  TRP  51           HB1      TRP  51  43.170   9.463  21.117
  358    HD1  TRP  51           HD1      TRP  51  46.908   8.497  20.837
  359    HE1  TRP  51           HE1      TRP  51  48.283  10.670  20.643
  360    HE3  TRP  51           HE3      TRP  51  43.170  11.947  21.276
  361    HZ2  TRP  51           HZ2      TRP  51  47.853  13.497  20.671
  362    HZ3  TRP  51           HZ3      TRP  51  43.679  14.371  21.189
  363    HH2  TRP  51           HH2      TRP  51  46.014  15.150  20.887
  364    H    THR  52           HN       THR  52  44.338  10.616  23.380
  365    HA   THR  52           HA       THR  52  47.116  10.581  24.138
  366    HB   THR  52           HB       THR  52  46.094  12.633  23.292
  367    HG1  THR  52           HG1      THR  52  47.096  13.879  24.716
  368   HG21  THR  52          HG21      THR  52  44.091  13.389  23.993
  369   HG22  THR  52          HG22      THR  52  44.568  13.282  25.688
  370   HG23  THR  52          HG23      THR  52  43.927  11.862  24.861
  371    H    VAL  53           HN       VAL  53  44.025  10.235  25.751
  372    HA   VAL  53           HA       VAL  53  44.817  10.631  28.410
  373    HB   VAL  53           HB       VAL  53  42.651   8.986  27.124
  374   HG11  VAL  53          HG11      VAL  53  41.825   8.831  29.599
  375   HG12  VAL  53          HG12      VAL  53  43.528   9.050  30.003
  376   HG13  VAL  53          HG13      VAL  53  43.023   7.668  29.030
  377   HG21  VAL  53          HG21      VAL  53  42.405  11.248  29.106
  378   HG22  VAL  53          HG22      VAL  53  41.232  10.702  27.907
  379   HG23  VAL  53          HG23      VAL  53  42.677  11.573  27.394
  380    H    PHE  54           HN       PHE  54  45.277   7.930  26.245
  381    HA   PHE  54           HA       PHE  54  46.204   6.188  28.404
  382    HB2  PHE  54           HB2      PHE  54  44.901   5.643  26.075
  383    HB3  PHE  54           HB1      PHE  54  46.572   5.333  25.604
  384    HD1  PHE  54           HD1      PHE  54  47.909   3.606  26.736
  385    HD2  PHE  54           HD2      PHE  54  43.797   4.294  27.772
  386    HE1  PHE  54           HE1      PHE  54  47.851   1.443  27.948
  387    HE2  PHE  54           HE2      PHE  54  43.740   2.131  28.982
  388    HZ   PHE  54           HZ       PHE  54  45.767   0.705  29.070
  389    H    ARG  55           HN       ARG  55  47.656   8.656  27.793
  390    HA   ARG  55           HA       ARG  55  50.286   7.439  27.285
  391    HB2  ARG  55           HB2      ARG  55  49.370  10.033  26.018
  392    HB3  ARG  55           HB1      ARG  55  50.945   9.264  25.821
  393    HG2  ARG  55           HG2      ARG  55  49.839   7.286  24.814
  394    HG3  ARG  55           HG1      ARG  55  48.280   8.096  24.967
  395    HD2  ARG  55           HD2      ARG  55  48.816   8.687  22.798
  396    HD3  ARG  55           HD1      ARG  55  49.542  10.035  23.668
  397    HE   ARG  55           HE       ARG  55  51.655   9.195  23.123
  398   HH11  ARG  55          HH21      ARG  55  49.139   6.932  22.399
  399   HH12  ARG  55          HH22      ARG  55  50.168   5.864  21.506
  400   HH21  ARG  55          HH11      ARG  55  53.010   7.799  21.952
  401   HH22  ARG  55          HH12      ARG  55  52.359   6.354  21.252
  402    H    LYS  56           HN       LYS  56  48.272   9.704  28.903
  403    HA   LYS  56           HA       LYS  56  50.493  11.167  30.094
  404    HB2  LYS  56           HB2      LYS  56  48.726  12.425  31.265
  405    HB3  LYS  56           HB1      LYS  56  48.446  12.386  29.525
  406    HG2  LYS  56           HG2      LYS  56  46.424  11.477  29.887
  407    HG3  LYS  56           HG1      LYS  56  47.204  10.074  30.616
  408    HD2  LYS  56           HD2      LYS  56  45.667  11.011  32.239
  409    HD3  LYS  56           HD1      LYS  56  47.311  11.344  32.783
  410    HE2  LYS  56           HE2      LYS  56  46.582  13.491  31.087
  411    HE3  LYS  56           HE1      LYS  56  45.210  13.215  32.161
  412    HZ1  LYS  56           HZ1      LYS  56  46.438  13.686  34.007
  413    HZ2  LYS  56           HZ2      LYS  56  47.211  14.706  32.890
  414    HZ3  LYS  56           HZ3      LYS  56  47.908  13.213  33.306
  415    H    LYS  57           HN       LYS  57  49.999   8.222  30.535
  416    HA   LYS  57           HA       LYS  57  50.557   8.227  33.350
  417    HB2  LYS  57           HB2      LYS  57  48.693   6.687  33.947
  418    HB3  LYS  57           HB1      LYS  57  48.133   8.295  33.488
  419    HG2  LYS  57           HG2      LYS  57  46.831   7.342  31.920
  420    HG3  LYS  57           HG1      LYS  57  48.292   6.810  31.089
  421    HD2  LYS  57           HD2      LYS  57  46.937   4.855  31.526
  422    HD3  LYS  57           HD1      LYS  57  48.331   4.798  32.604
  423    HE2  LYS  57           HE2      LYS  57  46.906   4.647  34.340
  424    HE3  LYS  57           HE1      LYS  57  46.370   6.288  33.975
  425    HZ1  LYS  57           HZ1      LYS  57  45.280   3.857  32.668
  426    HZ2  LYS  57           HZ2      LYS  57  44.694   5.446  32.530
  427    HZ3  LYS  57           HZ3      LYS  57  44.562   4.615  34.005
  428    H    GLY  58           HN       GLY  58  51.546   7.320  30.622
  429    HA2  GLY  58           HA2      GLY  58  51.543   4.633  30.172
  430    HA3  GLY  58           HA1      GLY  58  52.986   5.625  29.973
  431    H    HIS  59           HN       HIS  59  53.181   6.334  32.784
  432    HA   HIS  59           HA       HIS  59  54.404   3.848  33.738
  433    HB2  HIS  59           HB2      HIS  59  55.520   5.293  35.386
  434    HB3  HIS  59           HB1      HIS  59  55.772   5.892  33.746
  435    HD2  HIS  59           HD2      HIS  59  52.313   6.995  34.358
  436    HE1  HIS  59           HE1      HIS  59  54.618  10.028  36.178
  437    HE2  HIS  59           HE2      HIS  59  52.300   9.413  35.345
  438    H    HIS  60           HN       HIS  60  51.612   3.829  33.790
  439    HA   HIS  60           HA       HIS  60  51.161   3.423  36.632
  440    HB2  HIS  60           HB2      HIS  60  50.397   5.862  35.530
  441    HB3  HIS  60           HB1      HIS  60  48.913   4.908  35.529
  442    HD2  HIS  60           HD2      HIS  60  47.630   5.254  37.937
  443    HE1  HIS  60           HE1      HIS  60  51.033   5.665  40.402
  444    HE2  HIS  60           HE2      HIS  60  48.494   5.617  40.375
  445    H    HIS  61           HN       HIS  61  51.237   1.947  33.997
  446    HA   HIS  61           HA       HIS  61  49.011   0.215  34.526
  447    HB2  HIS  61           HB2      HIS  61  48.290   2.315  32.979
  448    HB3  HIS  61           HB1      HIS  61  48.869   1.202  31.738
  449    HD2  HIS  61           HD2      HIS  61  47.732  -1.530  33.520
  450    HE1  HIS  61           HE1      HIS  61  43.991   0.215  32.632
  451    HE2  HIS  61           HE2      HIS  61  45.152  -1.914  33.386
  452    H    HIS  62           HN       HIS  62  51.882   0.026  34.352
  453    HA   HIS  62           HA       HIS  62  52.041  -2.195  32.470
  454    HB2  HIS  62           HB2      HIS  62  52.893   0.226  31.558
  455    HB3  HIS  62           HB1      HIS  62  54.373  -0.401  32.282
  456    HD2  HIS  62           HD2      HIS  62  55.743  -1.686  30.265
  457    HE1  HIS  62           HE1      HIS  62  52.450  -3.522  28.364
  458    HE2  HIS  62           HE2      HIS  62  54.977  -3.277  28.341
  459    H    HIS  63           HN       HIS  63  52.775  -3.802  33.695
  460    HA   HIS  63           HA       HIS  63  55.283  -3.648  35.049
  461    HB2  HIS  63           HB2      HIS  63  54.220  -4.228  37.332
  462    HB3  HIS  63           HB1      HIS  63  54.219  -2.538  36.829
  463    HD2  HIS  63           HD2      HIS  63  51.664  -1.458  36.294
  464    HE1  HIS  63           HE1      HIS  63  49.474  -4.957  37.186
  465    HE2  HIS  63           HE2      HIS  63  49.288  -2.479  36.657
  466    H    HIS  64           HN       HIS  64  54.788  -5.365  33.174
  467    HA   HIS  64           HA       HIS  64  53.397  -7.681  33.468
  468    HB2  HIS  64           HB2      HIS  64  56.098  -7.088  32.331
  469    HB3  HIS  64           HB1      HIS  64  55.594  -8.773  32.475
  470    HD2  HIS  64           HD2      HIS  64  53.689  -9.585  30.592
  471    HE1  HIS  64           HE1      HIS  64  53.010  -5.795  28.862
  472    HE2  HIS  64           HE2      HIS  64  52.507  -8.277  28.667
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  53.133  -2.812 -53.701
    2    H2   MET   1           HT2      MET   1  51.774  -1.794 -53.767
    3    H3   MET   1           HT3      MET   1  52.115  -2.845 -55.058
    4    HA   MET   1           HA       MET   1  50.278  -3.528 -53.462
    5    HB2  MET   1           HB2      MET   1  52.468  -5.579 -53.694
    6    HB3  MET   1           HB1      MET   1  50.729  -5.782 -53.916
    7    HG2  MET   1           HG2      MET   1  51.529  -5.804 -56.123
    8    HG3  MET   1           HG1      MET   1  51.035  -4.124 -55.909
    9    HE1  MET   1           HE1      MET   1  52.255  -3.639 -57.906
   10    HE2  MET   1           HE2      MET   1  53.275  -5.039 -58.225
   11    HE3  MET   1           HE3      MET   1  54.004  -3.442 -58.078
   12    H    GLU   2           HN       GLU   2  51.479  -1.927 -51.666
   13    HA   GLU   2           HA       GLU   2  52.666  -3.613 -49.578
   14    HB2  GLU   2           HB2      GLU   2  52.674  -0.739 -50.233
   15    HB3  GLU   2           HB1      GLU   2  52.548  -1.104 -48.512
   16    HG2  GLU   2           HG2      GLU   2  54.539  -2.507 -48.621
   17    HG3  GLU   2           HG1      GLU   2  54.638  -2.279 -50.366
   18    H    GLU   3           HN       GLU   3  50.900  -4.792 -48.839
   19    HA   GLU   3           HA       GLU   3  48.342  -3.811 -48.280
   20    HB2  GLU   3           HB2      GLU   3  49.957  -6.136 -47.318
   21    HB3  GLU   3           HB1      GLU   3  48.453  -5.746 -46.481
   22    HG2  GLU   3           HG2      GLU   3  47.139  -6.173 -48.352
   23    HG3  GLU   3           HG1      GLU   3  48.460  -5.860 -49.477
   24    H    GLY   4           HN       GLY   4  47.342  -3.192 -46.312
   25    HA2  GLY   4           HA2      GLY   4  49.174  -1.779 -44.487
   26    HA3  GLY   4           HA1      GLY   4  47.466  -1.414 -44.713
   27    H    GLY   5           HN       GLY   5  48.057  -4.739 -44.574
   28    HA2  GLY   5           HA2      GLY   5  46.761  -4.927 -41.979
   29    HA3  GLY   5           HA1      GLY   5  47.143  -6.264 -43.059
   30    H    ASP   6           HN       ASP   6  49.375  -6.998 -43.157
   31    HA   ASP   6           HA       ASP   6  50.532  -7.320 -40.603
   32    HB2  ASP   6           HB2      ASP   6  50.749  -8.735 -42.819
   33    HB3  ASP   6           HB1      ASP   6  52.152  -7.703 -43.087
   34    H    PHE   7           HN       PHE   7  50.428  -4.587 -42.353
   35    HA   PHE   7           HA       PHE   7  53.165  -3.720 -41.698
   36    HB2  PHE   7           HB2      PHE   7  52.849  -3.036 -43.866
   37    HB3  PHE   7           HB1      PHE   7  51.105  -2.855 -43.668
   38    HD1  PHE   7           HD1      PHE   7  50.163  -0.851 -42.558
   39    HD2  PHE   7           HD2      PHE   7  54.373  -1.241 -43.316
   40    HE1  PHE   7           HE1      PHE   7  50.460   1.577 -42.154
   41    HE2  PHE   7           HE2      PHE   7  54.670   1.187 -42.911
   42    HZ   PHE   7           HZ       PHE   7  52.714   2.596 -42.330
   43    H    ASP   8           HN       ASP   8  49.807  -3.235 -40.906
   44    HA   ASP   8           HA       ASP   8  49.786  -0.760 -39.690
   45    HB2  ASP   8           HB2      ASP   8  47.793  -2.189 -39.926
   46    HB3  ASP   8           HB1      ASP   8  48.429  -3.274 -38.691
   47    H    ASN   9           HN       ASN   9  50.572   0.113 -37.853
   48    HA   ASN   9           HA       ASN   9  52.397  -1.541 -36.257
   49    HB2  ASN   9           HB2      ASN   9  53.281   0.564 -35.424
   50    HB3  ASN   9           HB1      ASN   9  53.205   0.617 -37.184
   51   HD21  ASN   9          HD21      ASN   9  52.098   2.147 -34.277
   52   HD22  ASN   9          HD22      ASN   9  51.054   3.263 -35.015
   53    H    TYR  10           HN       TYR  10  49.335  -1.418 -36.096
   54    HA   TYR  10           HA       TYR  10  47.808  -1.738 -34.403
   55    HB2  TYR  10           HB2      TYR  10  49.869  -1.192 -32.303
   56    HB3  TYR  10           HB1      TYR  10  48.547  -2.359 -32.300
   57    HD1  TYR  10           HD2      TYR  10  48.701  -4.111 -34.365
   58    HD2  TYR  10           HD1      TYR  10  52.017  -2.070 -32.549
   59    HE1  TYR  10           HE2      TYR  10  50.238  -5.873 -35.191
   60    HE2  TYR  10           HE1      TYR  10  53.554  -3.832 -33.375
   61    HH   TYR  10           HH       TYR  10  53.733  -5.745 -34.475
   62    H    TYR  11           HN       TYR  11  50.123   0.898 -33.921
   63    HA   TYR  11           HA       TYR  11  49.784   3.133 -33.492
   64    HB2  TYR  11           HB2      TYR  11  47.672   2.520 -35.027
   65    HB3  TYR  11           HB1      TYR  11  46.821   2.891 -33.527
   66    HD1  TYR  11           HD1      TYR  11  49.621   4.245 -35.629
   67    HD2  TYR  11           HD2      TYR  11  46.246   5.118 -33.120
   68    HE1  TYR  11           HE1      TYR  11  49.927   6.668 -36.061
   69    HE2  TYR  11           HE2      TYR  11  46.551   7.540 -33.552
   70    HH   TYR  11           HH       TYR  11  49.327   8.842 -34.834
   71    H    GLY  12           HN       GLY  12  47.411   4.181 -32.096
   72    HA2  GLY  12           HA2      GLY  12  48.204   4.264 -29.502
   73    HA3  GLY  12           HA1      GLY  12  46.507   4.351 -29.966
   74    H    ALA  13           HN       ALA  13  45.928   1.860 -30.840
   75    HA   ALA  13           HA       ALA  13  45.497  -0.311 -30.201
   76    HB1  ALA  13           HB1      ALA  13  47.143  -1.529 -29.139
   77    HB2  ALA  13           HB2      ALA  13  47.547  -0.217 -28.031
   78    HB3  ALA  13           HB3      ALA  13  48.095  -0.156 -29.706
   79    H    ASP  14           HN       ASP  14  46.176   1.942 -27.547
   80    HA   ASP  14           HA       ASP  14  44.655   0.702 -25.547
   81    HB2  ASP  14           HB2      ASP  14  44.939   3.688 -25.898
   82    HB3  ASP  14           HB1      ASP  14  44.720   2.793 -24.396
   83    H    ASN  15           HN       ASN  15  43.687   2.458 -28.363
   84    HA   ASN  15           HA       ASN  15  41.248   3.535 -27.764
   85    HB2  ASN  15           HB2      ASN  15  42.578   2.973 -30.082
   86    HB3  ASN  15           HB1      ASN  15  41.199   1.880 -30.199
   87   HD21  ASN  15          HD21      ASN  15  42.079   4.867 -31.193
   88   HD22  ASN  15          HD22      ASN  15  40.581   5.661 -31.137
   89    H    GLN  16           HN       GLN  16  42.033   0.119 -28.163
   90    HA   GLN  16           HA       GLN  16  39.243  -0.601 -27.556
   91    HB2  GLN  16           HB2      GLN  16  41.319  -2.649 -28.193
   92    HB3  GLN  16           HB1      GLN  16  39.607  -2.614 -28.616
   93    HG2  GLN  16           HG2      GLN  16  40.131  -0.668 -30.153
   94    HG3  GLN  16           HG1      GLN  16  41.839  -0.990 -29.860
   95   HE21  GLN  16          HE21      GLN  16  39.158  -1.871 -31.809
   96   HE22  GLN  16          HE22      GLN  16  39.844  -3.250 -32.523
   97    H    SER  17           HN       SER  17  40.674   0.501 -25.443
   98    HA   SER  17           HA       SER  17  40.852  -1.827 -23.649
   99    HB2  SER  17           HB2      SER  17  42.841   0.451 -23.615
  100    HB3  SER  17           HB1      SER  17  42.851  -0.980 -22.588
  101    HG   SER  17           HG       SER  17  43.025  -0.994 -25.425
  102    H    GLU  18           HN       GLU  18  41.406  -0.585 -21.307
  103    HA   GLU  18           HA       GLU  18  38.967   0.424 -20.450
  104    HB2  GLU  18           HB2      GLU  18  41.718   0.942 -19.296
  105    HB3  GLU  18           HB1      GLU  18  40.194   1.230 -18.457
  106    HG2  GLU  18           HG2      GLU  18  39.811  -0.995 -18.102
  107    HG3  GLU  18           HG1      GLU  18  40.526  -1.468 -19.643
  108    H    CYS  19           HN       CYS  19  38.289   1.969 -22.019
  109    HA   CYS  19           HA       CYS  19  39.790   4.439 -22.303
  110    HB2  CYS  19           HB2      CYS  19  37.660   5.062 -23.647
  111    HB3  CYS  19           HB1      CYS  19  38.728   3.820 -24.298
  112    HG   CYS  19           HG       CYS  19  36.559   2.552 -24.354
  113    H    GLU  20           HN       GLU  20  39.769   5.224 -20.159
  114    HA   GLU  20           HA       GLU  20  38.998   6.630 -18.514
  115    HB2  GLU  20           HB2      GLU  20  36.372   6.922 -19.940
  116    HB3  GLU  20           HB1      GLU  20  37.264   8.111 -18.993
  117    HG2  GLU  20           HG2      GLU  20  39.086   7.645 -20.925
  118    HG3  GLU  20           HG1      GLU  20  37.613   7.309 -21.834
  119    H    TYR  21           HN       TYR  21  38.373   3.685 -18.686
  120    HA   TYR  21           HA       TYR  21  35.887   3.516 -17.142
  121    HB2  TYR  21           HB2      TYR  21  37.626   1.572 -18.593
  122    HB3  TYR  21           HB1      TYR  21  36.662   0.977 -17.240
  123    HD1  TYR  21           HD2      TYR  21  36.490   2.752 -20.502
  124    HD2  TYR  21           HD1      TYR  21  34.291   0.740 -17.409
  125    HE1  TYR  21           HE2      TYR  21  34.472   2.746 -21.941
  126    HE2  TYR  21           HE1      TYR  21  32.272   0.734 -18.849
  127    HH   TYR  21           HH       TYR  21  31.348   1.812 -20.722
  128    H    THR  22           HN       THR  22  39.051   4.150 -16.505
  129    HA   THR  22           HA       THR  22  38.782   3.753 -13.706
  130    HB   THR  22           HB       THR  22  39.139   1.390 -14.339
  131    HG1  THR  22           HG1      THR  22  41.206   1.224 -13.096
  132   HG21  THR  22          HG21      THR  22  41.929   2.076 -15.193
  133   HG22  THR  22          HG22      THR  22  40.618   2.209 -16.365
  134   HG23  THR  22          HG23      THR  22  40.955   0.660 -15.592
  135    H    ASP  23           HN       ASP  23  41.052   4.014 -16.419
  136    HA   ASP  23           HA       ASP  23  43.063   5.377 -14.888
  137    HB2  ASP  23           HB2      ASP  23  43.445   4.020 -17.004
  138    HB3  ASP  23           HB1      ASP  23  42.771   5.386 -17.891
  139    H    TRP  24           HN       TRP  24  41.161   6.846 -14.081
  140    HA   TRP  24           HA       TRP  24  41.577   9.426 -15.300
  141    HB2  TRP  24           HB2      TRP  24  39.388   9.902 -16.017
  142    HB3  TRP  24           HB1      TRP  24  39.685   8.274 -16.626
  143    HD1  TRP  24           HD1      TRP  24  38.156   6.381 -15.794
  144    HE1  TRP  24           HE1      TRP  24  36.197   6.239 -14.123
  145    HE3  TRP  24           HE3      TRP  24  38.480  11.008 -13.656
  146    HZ2  TRP  24           HZ2      TRP  24  34.934   7.871 -12.143
  147    HZ3  TRP  24           HZ3      TRP  24  36.888  11.688 -11.883
  148    HH2  TRP  24           HH2      TRP  24  35.117  10.126 -11.126
  149    H    LYS  25           HN       LYS  25  39.892   7.413 -12.952
  150    HA   LYS  25           HA       LYS  25  38.719   9.139 -11.230
  151    HB2  LYS  25           HB2      LYS  25  39.433   7.635  -9.377
  152    HB3  LYS  25           HB1      LYS  25  38.805   6.757 -10.772
  153    HG2  LYS  25           HG2      LYS  25  41.192   6.501 -11.570
  154    HG3  LYS  25           HG1      LYS  25  41.711   7.159 -10.018
  155    HD2  LYS  25           HD2      LYS  25  41.727   4.921  -9.472
  156    HD3  LYS  25           HD1      LYS  25  40.038   5.277  -9.104
  157    HE2  LYS  25           HE2      LYS  25  39.599   4.683 -11.596
  158    HE3  LYS  25           HE1      LYS  25  41.186   3.916 -11.536
  159    HZ1  LYS  25           HZ1      LYS  25  38.953   3.338  -9.666
  160    HZ2  LYS  25           HZ2      LYS  25  40.458   2.552  -9.714
  161    HZ3  LYS  25           HZ3      LYS  25  39.365   2.381 -11.003
  162    H    SER  26           HN       SER  26  39.275  10.781  -9.925
  163    HA   SER  26           HA       SER  26  41.899  11.906 -10.096
  164    HB2  SER  26           HB2      SER  26  40.804  13.330  -8.116
  165    HB3  SER  26           HB1      SER  26  40.374  13.589  -9.803
  166    HG   SER  26           HG       SER  26  38.972  12.275  -7.759
  167    H    SER  27           HN       SER  27  40.099  11.168  -7.115
  168    HA   SER  27           HA       SER  27  40.745  10.086  -5.184
  169    HB2  SER  27           HB2      SER  27  42.021   8.631  -7.052
  170    HB3  SER  27           HB1      SER  27  43.416   9.316  -6.222
  171    HG   SER  27           HG       SER  27  42.060   8.632  -4.259
  172    H    GLY  28           HN       GLY  28  42.575  12.461  -6.792
  173    HA2  GLY  28           HA2      GLY  28  43.623  13.415  -4.216
  174    HA3  GLY  28           HA1      GLY  28  44.750  13.212  -5.554
  175    H    ALA  29           HN       ALA  29  41.723  14.045  -6.721
  176    HA   ALA  29           HA       ALA  29  42.597  16.828  -7.121
  177    HB1  ALA  29           HB1      ALA  29  41.374  16.847  -9.100
  178    HB2  ALA  29           HB2      ALA  29  40.280  15.576  -8.556
  179    HB3  ALA  29           HB3      ALA  29  41.928  15.174  -9.037
  180    H    LEU  30           HN       LEU  30  39.495  15.106  -6.692
  181    HA   LEU  30           HA       LEU  30  38.455  17.472  -5.280
  182    HB2  LEU  30           HB2      LEU  30  36.242  16.505  -5.677
  183    HB3  LEU  30           HB1      LEU  30  37.138  16.624  -7.191
  184    HG   LEU  30           HG       LEU  30  37.845  14.123  -6.140
  185   HD11  LEU  30          HD11      LEU  30  35.762  13.026  -5.624
  186   HD12  LEU  30          HD12      LEU  30  34.837  14.473  -6.025
  187   HD13  LEU  30          HD13      LEU  30  35.866  14.453  -4.592
  188   HD21  LEU  30          HD21      LEU  30  35.834  14.939  -8.260
  189   HD22  LEU  30          HD22      LEU  30  36.443  13.296  -8.058
  190   HD23  LEU  30          HD23      LEU  30  37.547  14.597  -8.503
  191    H    ILE  31           HN       ILE  31  39.979  14.669  -4.539
  192    HA   ILE  31           HA       ILE  31  38.344  13.711  -2.392
  193    HB   ILE  31           HB       ILE  31  40.872  12.983  -3.653
  194   HG12  ILE  31          HG12      ILE  31  40.090  10.742  -3.020
  195   HG13  ILE  31          HG11      ILE  31  38.858  11.458  -1.979
  196   HG21  ILE  31          HG21      ILE  31  41.770  11.808  -1.630
  197   HG22  ILE  31          HG22      ILE  31  40.633  12.713  -0.636
  198   HG23  ILE  31          HG23      ILE  31  41.905  13.562  -1.523
  199   HD11  ILE  31          HD11      ILE  31  37.495  11.935  -3.727
  200   HD12  ILE  31          HD12      ILE  31  38.486  10.787  -4.627
  201   HD13  ILE  31          HD13      ILE  31  38.832  12.514  -4.721
  202    HA   PRO  32           HA       PRO  32  41.700  16.211   0.182
  203    HB2  PRO  32           HB2      PRO  32  41.870  18.589  -1.590
  204    HB3  PRO  32           HB1      PRO  32  43.150  17.767  -0.679
  205    HG2  PRO  32           HG2      PRO  32  42.951  17.550  -3.330
  206    HG3  PRO  32           HG1      PRO  32  43.498  16.203  -2.317
  207    HD2  PRO  32           HD2      PRO  32  40.846  16.612  -3.642
  208    HD3  PRO  32           HD1      PRO  32  41.747  15.106  -3.362
  209    H    ALA  33           HN       ALA  33  38.924  17.181  -1.580
  210    HA   ALA  33           HA       ALA  33  38.222  19.353   0.237
  211    HB1  ALA  33           HB1      ALA  33  37.059  18.216  -2.279
  212    HB2  ALA  33           HB2      ALA  33  37.507  19.881  -1.907
  213    HB3  ALA  33           HB3      ALA  33  36.040  19.187  -1.215
  214    H    ILE  34           HN       ILE  34  36.466  16.457  -0.900
  215    HA   ILE  34           HA       ILE  34  34.519  16.332   1.028
  216    HB   ILE  34           HB       ILE  34  36.014  13.998  -0.193
  217   HG12  ILE  34          HG12      ILE  34  33.348  15.112  -1.055
  218   HG13  ILE  34          HG11      ILE  34  34.851  15.797  -1.676
  219   HG21  ILE  34          HG21      ILE  34  33.417  13.214   0.239
  220   HG22  ILE  34          HG22      ILE  34  33.731  14.212   1.659
  221   HG23  ILE  34          HG23      ILE  34  34.767  12.830   1.307
  222   HD11  ILE  34          HD11      ILE  34  34.023  14.046  -3.191
  223   HD12  ILE  34          HD12      ILE  34  34.018  12.887  -1.862
  224   HD13  ILE  34          HD13      ILE  34  35.544  13.548  -2.449
  225    H    TYR  35           HN       TYR  35  37.838  15.097   1.248
  226    HA   TYR  35           HA       TYR  35  37.698  13.763   3.678
  227    HB2  TYR  35           HB2      TYR  35  39.814  15.031   2.075
  228    HB3  TYR  35           HB1      TYR  35  40.172  14.924   3.798
  229    HD1  TYR  35           HD1      TYR  35  38.209  12.670   1.540
  230    HD2  TYR  35           HD2      TYR  35  41.624  13.109   4.109
  231    HE1  TYR  35           HE1      TYR  35  38.710  10.255   1.287
  232    HE2  TYR  35           HE2      TYR  35  42.125  10.694   3.856
  233    HH   TYR  35           HH       TYR  35  40.668   8.755   1.482
  234    H    MET  36           HN       MET  36  38.335  17.213   3.082
  235    HA   MET  36           HA       MET  36  38.708  17.990   5.754
  236    HB2  MET  36           HB2      MET  36  39.260  19.445   3.855
  237    HB3  MET  36           HB1      MET  36  37.546  19.587   3.458
  238    HG2  MET  36           HG2      MET  36  37.195  21.130   5.073
  239    HG3  MET  36           HG1      MET  36  38.103  20.200   6.265
  240    HE1  MET  36           HE1      MET  36  41.341  21.020   6.459
  241    HE2  MET  36           HE2      MET  36  41.498  20.413   4.812
  242    HE3  MET  36           HE3      MET  36  40.358  19.652   5.920
  243    H    LEU  37           HN       LEU  37  35.828  17.243   3.953
  244    HA   LEU  37           HA       LEU  37  34.049  18.464   5.903
  245    HB2  LEU  37           HB2      LEU  37  33.281  16.589   3.666
  246    HB3  LEU  37           HB1      LEU  37  32.275  17.795   4.468
  247    HG   LEU  37           HG       LEU  37  34.668  18.340   2.687
  248   HD11  LEU  37          HD11      LEU  37  31.953  17.898   2.095
  249   HD12  LEU  37          HD12      LEU  37  33.170  18.591   1.023
  250   HD13  LEU  37          HD13      LEU  37  32.167  19.647   2.018
  251   HD21  LEU  37          HD21      LEU  37  33.033  20.079   4.520
  252   HD22  LEU  37          HD22      LEU  37  33.720  20.763   3.047
  253   HD23  LEU  37          HD23      LEU  37  34.778  20.062   4.272
  254    H    VAL  38           HN       VAL  38  35.397  15.330   5.164
  255    HA   VAL  38           HA       VAL  38  33.600  13.975   7.033
  256    HB   VAL  38           HB       VAL  38  35.871  12.920   5.330
  257   HG11  VAL  38          HG11      VAL  38  35.740  11.269   6.922
  258   HG12  VAL  38          HG12      VAL  38  34.374  10.763   5.928
  259   HG13  VAL  38          HG13      VAL  38  34.097  11.708   7.392
  260   HG21  VAL  38          HG21      VAL  38  32.860  12.972   5.019
  261   HG22  VAL  38          HG22      VAL  38  33.889  11.869   4.104
  262   HG23  VAL  38          HG23      VAL  38  34.072  13.612   3.909
  263    H    PHE  39           HN       PHE  39  36.103  15.924   7.468
  264    HA   PHE  39           HA       PHE  39  37.555  14.260   9.403
  265    HB2  PHE  39           HB2      PHE  39  38.680  15.837   7.688
  266    HB3  PHE  39           HB1      PHE  39  38.168  17.136   8.765
  267    HD1  PHE  39           HD1      PHE  39  40.032  13.897   8.702
  268    HD2  PHE  39           HD2      PHE  39  39.395  17.636  10.719
  269    HE1  PHE  39           HE1      PHE  39  41.956  13.421  10.193
  270    HE2  PHE  39           HE2      PHE  39  41.318  17.159  12.210
  271    HZ   PHE  39           HZ       PHE  39  42.599  15.052  11.946
  272    H    LEU  40           HN       LEU  40  35.500  17.120   9.202
  273    HA   LEU  40           HA       LEU  40  35.711  17.727  12.014
  274    HB2  LEU  40           HB2      LEU  40  33.503  18.725  10.242
  275    HB3  LEU  40           HB1      LEU  40  34.320  19.547  11.571
  276    HG   LEU  40           HG       LEU  40  35.493  18.899   8.853
  277   HD11  LEU  40          HD11      LEU  40  33.900  21.002   9.575
  278   HD12  LEU  40          HD12      LEU  40  35.126  21.081   8.308
  279   HD13  LEU  40          HD13      LEU  40  35.501  21.649   9.935
  280   HD21  LEU  40          HD21      LEU  40  36.715  19.913  11.417
  281   HD22  LEU  40          HD22      LEU  40  37.418  20.331   9.856
  282   HD23  LEU  40          HD23      LEU  40  37.303  18.641  10.347
  283    H    LEU  41           HN       LEU  41  34.179  15.317  10.330
  284    HA   LEU  41           HA       LEU  41  32.264  14.900  12.531
  285    HB2  LEU  41           HB2      LEU  41  31.629  14.516   9.595
  286    HB3  LEU  41           HB1      LEU  41  30.550  14.170  10.948
  287    HG   LEU  41           HG       LEU  41  31.217  16.740  11.515
  288   HD11  LEU  41          HD11      LEU  41  32.533  16.756   9.320
  289   HD12  LEU  41          HD12      LEU  41  31.359  18.055   9.528
  290   HD13  LEU  41          HD13      LEU  41  30.974  16.675   8.500
  291   HD21  LEU  41          HD21      LEU  41  28.939  15.832  11.399
  292   HD22  LEU  41          HD22      LEU  41  29.030  15.787   9.638
  293   HD23  LEU  41          HD23      LEU  41  29.033  17.335  10.482
  294    H    GLY  42           HN       GLY  42  34.903  13.794  11.055
  295    HA2  GLY  42           HA2      GLY  42  34.157  10.985  10.814
  296    HA3  GLY  42           HA1      GLY  42  35.743  11.678  10.487
  297    H    THR  43           HN       THR  43  36.208  13.032  12.874
  298    HA   THR  43           HA       THR  43  36.030  10.981  14.976
  299    HB   THR  43           HB       THR  43  38.194  10.641  13.855
  300    HG1  THR  43           HG1      THR  43  38.071  10.389  16.112
  301   HG21  THR  43          HG21      THR  43  38.253  13.154  13.168
  302   HG22  THR  43          HG22      THR  43  39.774  12.350  13.556
  303   HG23  THR  43          HG23      THR  43  39.002  13.400  14.745
  304    H    THR  44           HN       THR  44  36.868  14.299  14.072
  305    HA   THR  44           HA       THR  44  37.150  15.416  16.611
  306    HB   THR  44           HB       THR  44  36.180  16.543  13.992
  307    HG1  THR  44           HG1      THR  44  38.484  16.919  15.602
  308   HG21  THR  44          HG21      THR  44  36.568  18.790  15.242
  309   HG22  THR  44          HG22      THR  44  36.310  17.840  16.705
  310   HG23  THR  44          HG23      THR  44  35.038  17.949  15.488
  311    H    GLY  45           HN       GLY  45  34.253  14.631  14.774
  312    HA2  GLY  45           HA2      GLY  45  32.259  16.006  16.025
  313    HA3  GLY  45           HA1      GLY  45  32.081  14.328  15.521
  314    H    ASN  46           HN       ASN  46  34.312  13.584  17.423
  315    HA   ASN  46           HA       ASN  46  32.944  13.957  20.004
  316    HB2  ASN  46           HB2      ASN  46  33.044  11.505  18.468
  317    HB3  ASN  46           HB1      ASN  46  33.857  11.307  20.021
  318   HD21  ASN  46          HD21      ASN  46  31.063  13.436  19.276
  319   HD22  ASN  46          HD22      ASN  46  30.002  12.673  20.361
  320    H    GLY  47           HN       GLY  47  35.656  14.391  18.333
  321    HA2  GLY  47           HA2      GLY  47  37.561  13.389  20.311
  322    HA3  GLY  47           HA1      GLY  47  37.956  14.190  18.793
  323    H    LEU  48           HN       LEU  48  35.521  15.869  20.352
  324    HA   LEU  48           HA       LEU  48  37.449  17.885  21.291
  325    HB2  LEU  48           HB2      LEU  48  34.650  17.967  20.265
  326    HB3  LEU  48           HB1      LEU  48  35.135  19.198  21.432
  327    HG   LEU  48           HG       LEU  48  36.940  18.598  19.112
  328   HD11  LEU  48          HD11      LEU  48  35.742  20.303  17.778
  329   HD12  LEU  48          HD12      LEU  48  34.500  20.400  19.027
  330   HD13  LEU  48          HD13      LEU  48  34.712  18.910  18.108
  331   HD21  LEU  48          HD21      LEU  48  36.315  21.317  20.187
  332   HD22  LEU  48          HD22      LEU  48  37.851  20.662  19.620
  333   HD23  LEU  48          HD23      LEU  48  37.242  20.223  21.216
  334    H    VAL  49           HN       VAL  49  35.001  15.679  22.376
  335    HA   VAL  49           HA       VAL  49  34.474  16.913  24.899
  336    HB   VAL  49           HB       VAL  49  33.636  14.556  25.470
  337   HG11  VAL  49          HG11      VAL  49  32.654  16.356  23.288
  338   HG12  VAL  49          HG12      VAL  49  31.927  15.996  24.853
  339   HG13  VAL  49          HG13      VAL  49  31.827  14.820  23.543
  340   HG21  VAL  49          HG21      VAL  49  33.565  13.889  22.610
  341   HG22  VAL  49          HG22      VAL  49  33.934  12.859  23.993
  342   HG23  VAL  49          HG23      VAL  49  35.192  13.871  23.287
  343    H    LEU  50           HN       LEU  50  37.325  16.044  23.866
  344    HA   LEU  50           HA       LEU  50  38.173  14.758  26.394
  345    HB2  LEU  50           HB2      LEU  50  39.670  14.719  23.770
  346    HB3  LEU  50           HB1      LEU  50  39.998  13.758  25.210
  347    HG   LEU  50           HG       LEU  50  37.512  13.581  23.484
  348   HD11  LEU  50          HD11      LEU  50  39.386  11.306  23.966
  349   HD12  LEU  50          HD12      LEU  50  39.900  12.563  22.842
  350   HD13  LEU  50          HD13      LEU  50  38.407  11.671  22.546
  351   HD21  LEU  50          HD21      LEU  50  37.321  11.441  25.041
  352   HD22  LEU  50          HD22      LEU  50  36.714  13.003  25.589
  353   HD23  LEU  50          HD23      LEU  50  38.286  12.425  26.141
  354    H    TRP  51           HN       TRP  51  39.117  17.103  23.892
  355    HA   TRP  51           HA       TRP  51  41.192  18.221  25.591
  356    HB2  TRP  51           HB2      TRP  51  41.855  18.311  23.370
  357    HB3  TRP  51           HB1      TRP  51  40.233  18.688  22.793
  358    HD1  TRP  51           HD1      TRP  51  42.556  20.443  25.351
  359    HE1  TRP  51           HE1      TRP  51  42.654  22.949  24.749
  360    HE3  TRP  51           HE3      TRP  51  39.596  20.468  21.191
  361    HZ2  TRP  51           HZ2      TRP  51  41.613  24.727  22.767
  362    HZ3  TRP  51           HZ3      TRP  51  39.165  22.579  19.967
  363    HH2  TRP  51           HH2      TRP  51  40.170  24.706  20.748
  364    H    THR  52           HN       THR  52  37.896  18.913  24.665
  365    HA   THR  52           HA       THR  52  37.929  21.613  25.705
  366    HB   THR  52           HB       THR  52  35.506  19.935  25.041
  367    HG1  THR  52           HG1      THR  52  35.747  20.970  22.965
  368   HG21  THR  52          HG21      THR  52  35.780  22.478  26.122
  369   HG22  THR  52          HG22      THR  52  34.344  21.851  25.311
  370   HG23  THR  52          HG23      THR  52  35.531  22.787  24.403
  371    H    VAL  53           HN       VAL  53  36.410  18.532  26.669
  372    HA   VAL  53           HA       VAL  53  35.118  19.240  28.964
  373    HB   VAL  53           HB       VAL  53  35.563  16.892  27.848
  374   HG11  VAL  53          HG11      VAL  53  37.404  16.674  30.225
  375   HG12  VAL  53          HG12      VAL  53  38.029  17.082  28.627
  376   HG13  VAL  53          HG13      VAL  53  37.199  15.549  28.883
  377   HG21  VAL  53          HG21      VAL  53  33.891  17.286  29.577
  378   HG22  VAL  53          HG22      VAL  53  35.143  17.344  30.818
  379   HG23  VAL  53          HG23      VAL  53  34.798  15.830  29.983
  380    H    PHE  54           HN       PHE  54  38.542  19.177  28.413
  381    HA   PHE  54           HA       PHE  54  39.135  19.512  31.263
  382    HB2  PHE  54           HB2      PHE  54  40.463  18.167  29.308
  383    HB3  PHE  54           HB1      PHE  54  41.321  19.709  29.290
  384    HD1  PHE  54           HD2      PHE  54  42.511  20.519  31.283
  385    HD2  PHE  54           HD1      PHE  54  40.515  16.716  31.260
  386    HE1  PHE  54           HE2      PHE  54  43.722  19.872  33.350
  387    HE2  PHE  54           HE1      PHE  54  41.726  16.068  33.326
  388    HZ   PHE  54           HZ       PHE  54  43.328  17.646  34.370
  389    H    ARG  55           HN       ARG  55  37.690  21.558  29.696
  390    HA   ARG  55           HA       ARG  55  39.472  23.811  30.315
  391    HB2  ARG  55           HB2      ARG  55  38.043  23.379  27.686
  392    HB3  ARG  55           HB1      ARG  55  38.686  24.940  28.197
  393    HG2  ARG  55           HG2      ARG  55  40.936  23.958  28.398
  394    HG3  ARG  55           HG1      ARG  55  40.301  22.390  27.904
  395    HD2  ARG  55           HD2      ARG  55  40.375  22.958  25.727
  396    HD3  ARG  55           HD1      ARG  55  39.516  24.466  26.033
  397    HE   ARG  55           HE       ARG  55  41.564  25.487  25.750
  398   HH11  ARG  55          HH21      ARG  55  41.974  22.358  27.171
  399   HH12  ARG  55          HH22      ARG  55  43.695  22.492  27.306
  400   HH21  ARG  55          HH11      ARG  55  43.822  25.670  25.923
  401   HH22  ARG  55          HH12      ARG  55  44.742  24.366  26.599
  402    H    LYS  56           HN       LYS  56  36.350  22.386  30.094
  403    HA   LYS  56           HA       LYS  56  34.967  24.883  30.746
  404    HB2  LYS  56           HB2      LYS  56  32.925  23.607  30.488
  405    HB3  LYS  56           HB1      LYS  56  33.981  23.266  29.116
  406    HG2  LYS  56           HG2      LYS  56  33.660  21.082  29.624
  407    HG3  LYS  56           HG1      LYS  56  34.771  21.370  30.962
  408    HD2  LYS  56           HD2      LYS  56  32.848  20.405  31.970
  409    HD3  LYS  56           HD1      LYS  56  32.710  22.133  32.296
  410    HE2  LYS  56           HE2      LYS  56  31.469  21.888  29.840
  411    HE3  LYS  56           HE1      LYS  56  30.997  20.399  30.659
  412    HZ1  LYS  56           HZ1      LYS  56  30.363  23.166  31.319
  413    HZ2  LYS  56           HZ2      LYS  56  30.633  22.112  32.624
  414    HZ3  LYS  56           HZ3      LYS  56  29.419  21.766  31.486
  415    H    LYS  57           HN       LYS  57  36.232  22.047  32.265
  416    HA   LYS  57           HA       LYS  57  34.632  21.922  34.568
  417    HB2  LYS  57           HB2      LYS  57  36.292  20.192  33.859
  418    HB3  LYS  57           HB1      LYS  57  37.584  21.289  34.335
  419    HG2  LYS  57           HG2      LYS  57  37.156  19.721  36.152
  420    HG3  LYS  57           HG1      LYS  57  36.658  21.335  36.648
  421    HD2  LYS  57           HD2      LYS  57  34.413  20.805  36.620
  422    HD3  LYS  57           HD1      LYS  57  34.602  19.607  35.340
  423    HE2  LYS  57           HE2      LYS  57  35.684  18.065  36.925
  424    HE3  LYS  57           HE1      LYS  57  35.528  19.265  38.208
  425    HZ1  LYS  57           HZ1      LYS  57  33.564  18.338  38.615
  426    HZ2  LYS  57           HZ2      LYS  57  33.575  17.457  37.161
  427    HZ3  LYS  57           HZ3      LYS  57  33.014  19.061  37.182
  428    H    GLY  58           HN       GLY  58  37.385  23.945  33.728
  429    HA2  GLY  58           HA2      GLY  58  37.649  26.139  34.652
  430    HA3  GLY  58           HA1      GLY  58  36.839  25.585  36.114
  431    H    HIS  59           HN       HIS  59  38.263  23.182  36.510
  432    HA   HIS  59           HA       HIS  59  41.092  23.660  36.525
  433    HB2  HIS  59           HB2      HIS  59  41.416  23.935  38.901
  434    HB3  HIS  59           HB1      HIS  59  40.309  25.193  38.348
  435    HD2  HIS  59           HD2      HIS  59  37.862  22.573  38.346
  436    HE1  HIS  59           HE1      HIS  59  38.209  23.353  42.481
  437    HE2  HIS  59           HE2      HIS  59  36.776  22.248  40.699
  438    H    HIS  60           HN       HIS  60  41.037  22.157  39.242
  439    HA   HIS  60           HA       HIS  60  41.079  19.513  38.053
  440    HB2  HIS  60           HB2      HIS  60  41.706  20.565  40.814
  441    HB3  HIS  60           HB1      HIS  60  41.741  18.846  40.418
  442    HD2  HIS  60           HD2      HIS  60  43.012  20.896  37.454
  443    HE1  HIS  60           HE1      HIS  60  46.448  19.708  39.600
  444    HE2  HIS  60           HE2      HIS  60  45.618  20.725  37.427
  445    H    HIS  61           HN       HIS  61  40.115  19.475  41.300
  446    HA   HIS  61           HA       HIS  61  37.273  19.111  40.639
  447    HB2  HIS  61           HB2      HIS  61  38.388  16.880  40.534
  448    HB3  HIS  61           HB1      HIS  61  38.879  17.088  42.216
  449    HD2  HIS  61           HD2      HIS  61  35.265  17.784  40.682
  450    HE1  HIS  61           HE1      HIS  61  34.919  15.046  43.878
  451    HE2  HIS  61           HE2      HIS  61  33.621  16.396  42.162
  452    H    HIS  62           HN       HIS  62  39.488  18.671  43.410
  453    HA   HIS  62           HA       HIS  62  37.572  19.750  45.261
  454    HB2  HIS  62           HB2      HIS  62  39.036  18.122  46.158
  455    HB3  HIS  62           HB1      HIS  62  40.460  18.915  45.487
  456    HD2  HIS  62           HD2      HIS  62  41.767  20.142  47.578
  457    HE1  HIS  62           HE1      HIS  62  38.382  21.475  49.721
  458    HE2  HIS  62           HE2      HIS  62  40.921  21.461  49.668
  459    H    HIS  63           HN       HIS  63  40.907  20.835  45.271
  460    HA   HIS  63           HA       HIS  63  40.486  23.430  44.220
  461    HB2  HIS  63           HB2      HIS  63  39.104  23.843  46.146
  462    HB3  HIS  63           HB1      HIS  63  40.316  23.155  47.228
  463    HD2  HIS  63           HD2      HIS  63  40.072  26.324  44.822
  464    HE1  HIS  63           HE1      HIS  63  42.849  27.123  47.900
  465    HE2  HIS  63           HE2      HIS  63  41.660  28.105  45.883
  466    H    HIS  64           HN       HIS  64  42.479  22.264  43.389
  467    HA   HIS  64           HA       HIS  64  44.768  21.713  44.795
  468    HB2  HIS  64           HB2      HIS  64  44.641  21.341  42.405
  469    HB3  HIS  64           HB1      HIS  64  44.520  23.075  42.103
  470    HD2  HIS  64           HD2      HIS  64  46.985  24.180  41.563
  471    HE1  HIS  64           HE1      HIS  64  49.383  21.345  43.573
  472    HE2  HIS  64           HE2      HIS  64  49.422  23.447  42.148
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  76.974   7.826   0.001
    2    H2   MET   1           HT2      MET   1  78.501   8.461   0.387
    3    H3   MET   1           HT3      MET   1  77.101   9.384   0.657
    4    HA   MET   1           HA       MET   1  78.340   7.951   2.545
    5    HB2  MET   1           HB2      MET   1  75.450   8.762   2.198
    6    HB3  MET   1           HB1      MET   1  76.045   8.057   3.701
    7    HG2  MET   1           HG2      MET   1  77.735  10.224   2.643
    8    HG3  MET   1           HG1      MET   1  76.113  10.738   3.109
    9    HE1  MET   1           HE1      MET   1  76.342  11.323   6.651
   10    HE2  MET   1           HE2      MET   1  75.193  10.878   5.391
   11    HE3  MET   1           HE3      MET   1  76.402  12.120   5.072
   12    H    GLU   2           HN       GLU   2  77.611   6.075   3.834
   13    HA   GLU   2           HA       GLU   2  76.080   4.041   2.400
   14    HB2  GLU   2           HB2      GLU   2  78.634   3.949   1.823
   15    HB3  GLU   2           HB1      GLU   2  78.781   3.246   3.434
   16    HG2  GLU   2           HG2      GLU   2  76.906   1.642   2.736
   17    HG3  GLU   2           HG1      GLU   2  77.187   2.204   1.089
   18    H    GLU   3           HN       GLU   3  75.416   5.457   4.712
   19    HA   GLU   3           HA       GLU   3  76.124   4.316   7.152
   20    HB2  GLU   3           HB2      GLU   3  73.705   5.749   6.137
   21    HB3  GLU   3           HB1      GLU   3  73.622   4.964   7.714
   22    HG2  GLU   3           HG2      GLU   3  75.566   6.210   8.488
   23    HG3  GLU   3           HG1      GLU   3  75.783   6.922   6.890
   24    H    GLY   4           HN       GLY   4  76.185   2.172   7.484
   25    HA2  GLY   4           HA2      GLY   4  73.975   0.498   6.493
   26    HA3  GLY   4           HA1      GLY   4  75.546  -0.085   7.035
   27    H    GLY   5           HN       GLY   5  74.193   2.336   9.015
   28    HA2  GLY   5           HA2      GLY   5  74.115   0.747  11.326
   29    HA3  GLY   5           HA1      GLY   5  73.336   2.316  11.150
   30    H    ASP   6           HN       ASP   6  71.176   2.394  10.277
   31    HA   ASP   6           HA       ASP   6  69.508   0.314  11.278
   32    HB2  ASP   6           HB2      ASP   6  68.938   2.787  11.127
   33    HB3  ASP   6           HB1      ASP   6  68.670   2.525   9.405
   34    H    PHE   7           HN       PHE   7  71.303  -0.754   9.383
   35    HA   PHE   7           HA       PHE   7  71.359  -2.152   7.561
   36    HB2  PHE   7           HB2      PHE   7  68.379  -2.283   7.486
   37    HB3  PHE   7           HB1      PHE   7  69.566  -3.580   7.346
   38    HD1  PHE   7           HD2      PHE   7  71.277  -3.152   9.688
   39    HD2  PHE   7           HD1      PHE   7  67.008  -2.855   9.312
   40    HE1  PHE   7           HE2      PHE   7  71.029  -3.644  12.107
   41    HE2  PHE   7           HE1      PHE   7  66.761  -3.346  11.730
   42    HZ   PHE   7           HZ       PHE   7  68.771  -3.741  13.128
   43    H    ASP   8           HN       ASP   8  71.056   0.770   7.186
   44    HA   ASP   8           HA       ASP   8  70.510   2.317   5.552
   45    HB2  ASP   8           HB2      ASP   8  72.358   0.758   4.617
   46    HB3  ASP   8           HB1      ASP   8  71.074   0.092   3.609
   47    H    ASN   9           HN       ASN   9  68.282   2.571   5.882
   48    HA   ASN   9           HA       ASN   9  66.305   0.826   4.838
   49    HB2  ASN   9           HB2      ASN   9  64.857   2.972   5.067
   50    HB3  ASN   9           HB1      ASN   9  65.533   2.247   6.526
   51   HD21  ASN   9          HD21      ASN   9  65.100   5.206   5.110
   52   HD22  ASN   9          HD22      ASN   9  66.434   6.030   5.759
   53    H    TYR  10           HN       TYR  10  67.420   4.020   3.683
   54    HA   TYR  10           HA       TYR  10  65.946   4.097   1.317
   55    HB2  TYR  10           HB2      TYR  10  68.622   5.286   2.051
   56    HB3  TYR  10           HB1      TYR  10  67.836   5.604   0.504
   57    HD1  TYR  10           HD2      TYR  10  65.687   6.810   0.401
   58    HD2  TYR  10           HD1      TYR  10  67.734   6.181   4.124
   59    HE1  TYR  10           HE2      TYR  10  64.258   8.527   1.476
   60    HE2  TYR  10           HE1      TYR  10  66.305   7.899   5.199
   61    HH   TYR  10           HH       TYR  10  64.148   8.958   4.876
   62    H    TYR  11           HN       TYR  11  69.346   3.074   1.724
   63    HA   TYR  11           HA       TYR  11  70.718   1.854   0.319
   64    HB2  TYR  11           HB2      TYR  11  69.478   0.056   1.373
   65    HB3  TYR  11           HB1      TYR  11  68.154   0.248   0.222
   66    HD1  TYR  11           HD1      TYR  11  71.864  -0.315   0.283
   67    HD2  TYR  11           HD2      TYR  11  68.129  -1.096  -1.691
   68    HE1  TYR  11           HE1      TYR  11  73.016  -1.846  -1.292
   69    HE2  TYR  11           HE2      TYR  11  69.280  -2.625  -3.266
   70    HH   TYR  11           HH       TYR  11  72.795  -3.202  -3.028
   71    H    GLY  12           HN       GLY  12  68.021   0.707  -1.527
   72    HA2  GLY  12           HA2      GLY  12  69.129   1.466  -4.005
   73    HA3  GLY  12           HA1      GLY  12  67.473   0.924  -3.751
   74    H    ALA  13           HN       ALA  13  66.109   2.683  -2.530
   75    HA   ALA  13           HA       ALA  13  65.190   4.798  -2.501
   76    HB1  ALA  13           HB1      ALA  13  67.804   5.347  -2.269
   77    HB2  ALA  13           HB2      ALA  13  66.589   6.610  -2.468
   78    HB3  ALA  13           HB3      ALA  13  67.518   6.053  -3.860
   79    H    ASP  14           HN       ASP  14  67.086   4.071  -5.419
   80    HA   ASP  14           HA       ASP  14  65.649   5.647  -7.234
   81    HB2  ASP  14           HB2      ASP  14  66.811   2.954  -7.928
   82    HB3  ASP  14           HB1      ASP  14  66.688   4.389  -8.944
   83    H    ASN  15           HN       ASN  15  64.502   3.160  -5.364
   84    HA   ASN  15           HA       ASN  15  62.697   1.960  -7.278
   85    HB2  ASN  15           HB2      ASN  15  63.605   1.382  -4.639
   86    HB3  ASN  15           HB1      ASN  15  61.846   1.499  -4.597
   87   HD21  ASN  15          HD21      ASN  15  64.082   0.291  -7.161
   88   HD22  ASN  15          HD22      ASN  15  63.342  -1.232  -7.284
   89    H    GLN  16           HN       GLN  16  62.773   4.938  -5.946
   90    HA   GLN  16           HA       GLN  16  59.852   5.224  -6.168
   91    HB2  GLN  16           HB2      GLN  16  61.451   6.539  -3.966
   92    HB3  GLN  16           HB1      GLN  16  59.699   6.535  -4.169
   93    HG2  GLN  16           HG2      GLN  16  59.712   4.055  -3.901
   94    HG3  GLN  16           HG1      GLN  16  61.444   4.127  -3.583
   95   HE21  GLN  16          HE21      GLN  16  61.403   3.530  -1.352
   96   HE22  GLN  16          HE22      GLN  16  60.624   4.458  -0.163
   97    H    SER  17           HN       SER  17  61.753   5.839  -8.124
   98    HA   SER  17           HA       SER  17  62.064   8.763  -7.981
   99    HB2  SER  17           HB2      SER  17  63.159   6.890 -10.083
  100    HB3  SER  17           HB1      SER  17  63.641   8.555  -9.772
  101    HG   SER  17           HG       SER  17  65.121   7.390  -8.698
  102    H    GLU  18           HN       GLU  18  60.141   9.657  -8.547
  103    HA   GLU  18           HA       GLU  18  58.229  10.096  -9.772
  104    HB2  GLU  18           HB2      GLU  18  60.255  10.985 -11.120
  105    HB3  GLU  18           HB1      GLU  18  59.949   9.617 -12.192
  106    HG2  GLU  18           HG2      GLU  18  57.433  10.559 -11.959
  107    HG3  GLU  18           HG1      GLU  18  58.323  12.063 -11.732
  108    H    CYS  19           HN       CYS  19  58.324   7.412  -8.984
  109    HA   CYS  19           HA       CYS  19  57.646   5.793 -11.313
  110    HB2  CYS  19           HB2      CYS  19  58.928   5.051  -9.143
  111    HB3  CYS  19           HB1      CYS  19  57.302   4.865  -8.485
  112    HG   CYS  19           HG       CYS  19  56.793   3.202 -10.498
  113    H    GLU  20           HN       GLU  20  55.899   7.835 -11.246
  114    HA   GLU  20           HA       GLU  20  53.669   8.388 -11.155
  115    HB2  GLU  20           HB2      GLU  20  53.609   5.380 -11.301
  116    HB3  GLU  20           HB1      GLU  20  52.120   6.325 -11.231
  117    HG2  GLU  20           HG2      GLU  20  54.290   6.952 -13.233
  118    HG3  GLU  20           HG1      GLU  20  53.044   5.752 -13.572
  119    H    TYR  21           HN       TYR  21  54.564   8.979  -8.825
  120    HA   TYR  21           HA       TYR  21  52.486   8.104  -6.974
  121    HB2  TYR  21           HB2      TYR  21  53.842   7.181  -5.359
  122    HB3  TYR  21           HB1      TYR  21  54.722   6.683  -6.803
  123    HD1  TYR  21           HD1      TYR  21  56.091   9.042  -7.715
  124    HD2  TYR  21           HD2      TYR  21  55.383   7.736  -3.685
  125    HE1  TYR  21           HE1      TYR  21  58.077  10.318  -6.953
  126    HE2  TYR  21           HE2      TYR  21  57.368   9.012  -2.923
  127    HH   TYR  21           HH       TYR  21  59.712   9.867  -4.483
  128    H    THR  22           HN       THR  22  53.458  10.565  -8.444
  129    HA   THR  22           HA       THR  22  52.987  12.428  -6.320
  130    HB   THR  22           HB       THR  22  55.408  11.878  -5.965
  131    HG1  THR  22           HG1      THR  22  55.146  14.503  -6.947
  132   HG21  THR  22          HG21      THR  22  57.032  12.347  -7.594
  133   HG22  THR  22          HG22      THR  22  55.937  13.371  -8.523
  134   HG23  THR  22          HG23      THR  22  55.730  11.620  -8.536
  135    H    ASP  23           HN       ASP  23  54.042  11.798  -9.617
  136    HA   ASP  23           HA       ASP  23  53.741  14.358 -10.709
  137    HB2  ASP  23           HB2      ASP  23  53.900  11.612 -11.711
  138    HB3  ASP  23           HB1      ASP  23  52.922  12.668 -12.729
  139    H    TRP  24           HN       TRP  24  51.409  12.343  -9.334
  140    HA   TRP  24           HA       TRP  24  49.275  14.108 -10.263
  141    HB2  TRP  24           HB2      TRP  24  47.830  12.054 -10.728
  142    HB3  TRP  24           HB1      TRP  24  49.061  12.433 -11.931
  143    HD1  TRP  24           HD1      TRP  24  51.524  11.109 -11.415
  144    HE1  TRP  24           HE1      TRP  24  51.839   8.623 -10.804
  145    HE3  TRP  24           HE3      TRP  24  46.836  10.020  -9.710
  146    HZ2  TRP  24           HZ2      TRP  24  50.304   6.460  -9.732
  147    HZ3  TRP  24           HZ3      TRP  24  46.290   7.742  -8.901
  148    HH2  TRP  24           HH2      TRP  24  48.017   5.963  -8.909
  149    H    LYS  25           HN       LYS  25  49.451  10.933  -8.643
  150    HA   LYS  25           HA       LYS  25  48.422  10.223  -6.694
  151    HB2  LYS  25           HB2      LYS  25  50.103  12.601  -6.017
  152    HB3  LYS  25           HB1      LYS  25  49.089  11.894  -4.756
  153    HG2  LYS  25           HG2      LYS  25  50.775  10.077  -6.444
  154    HG3  LYS  25           HG1      LYS  25  51.544  10.994  -5.148
  155    HD2  LYS  25           HD2      LYS  25  50.391   9.882  -3.483
  156    HD3  LYS  25           HD1      LYS  25  49.002   9.551  -4.520
  157    HE2  LYS  25           HE2      LYS  25  50.306   7.874  -5.758
  158    HE3  LYS  25           HE1      LYS  25  51.717   8.219  -4.757
  159    HZ1  LYS  25           HZ1      LYS  25  49.948   7.724  -2.869
  160    HZ2  LYS  25           HZ2      LYS  25  50.878   6.496  -3.587
  161    HZ3  LYS  25           HZ3      LYS  25  49.279   6.764  -4.096
  162    H    SER  26           HN       SER  26  46.298  10.777  -7.759
  163    HA   SER  26           HA       SER  26  44.653  12.181  -5.897
  164    HB2  SER  26           HB2      SER  26  44.115  14.123  -7.020
  165    HB3  SER  26           HB1      SER  26  45.809  13.967  -7.477
  166    HG   SER  26           HG       SER  26  45.180  13.083  -9.419
  167    H    SER  27           HN       SER  27  42.774  11.134  -5.899
  168    HA   SER  27           HA       SER  27  42.137   9.234  -7.959
  169    HB2  SER  27           HB2      SER  27  40.888   8.337  -6.328
  170    HB3  SER  27           HB1      SER  27  41.415   9.643  -5.271
  171    HG   SER  27           HG       SER  27  39.657  10.880  -6.147
  172    H    GLY  28           HN       GLY  28  42.135  12.314  -8.373
  173    HA2  GLY  28           HA2      GLY  28  40.808  12.883 -10.490
  174    HA3  GLY  28           HA1      GLY  28  39.405  12.570  -9.474
  175    H    ALA  29           HN       ALA  29  41.698  13.807  -7.476
  176    HA   ALA  29           HA       ALA  29  42.243  15.916  -6.690
  177    HB1  ALA  29           HB1      ALA  29  41.939  16.505  -9.267
  178    HB2  ALA  29           HB2      ALA  29  42.082  17.765  -8.043
  179    HB3  ALA  29           HB3      ALA  29  40.495  17.315  -8.663
  180    H    LEU  30           HN       LEU  30  40.401  14.491  -5.403
  181    HA   LEU  30           HA       LEU  30  38.475  16.540  -4.551
  182    HB2  LEU  30           HB2      LEU  30  36.731  14.772  -4.288
  183    HB3  LEU  30           HB1      LEU  30  37.147  15.100  -5.966
  184    HG   LEU  30           HG       LEU  30  38.391  12.860  -4.340
  185   HD11  LEU  30          HD11      LEU  30  36.141  12.675  -6.361
  186   HD12  LEU  30          HD12      LEU  30  35.917  12.595  -4.613
  187   HD13  LEU  30          HD13      LEU  30  36.846  11.346  -5.440
  188   HD21  LEU  30          HD21      LEU  30  38.468  12.166  -7.004
  189   HD22  LEU  30          HD22      LEU  30  39.806  12.897  -6.122
  190   HD23  LEU  30          HD23      LEU  30  38.729  13.906  -7.082
  191    H    ILE  31           HN       ILE  31  41.018  15.576  -3.474
  192    HA   ILE  31           HA       ILE  31  40.387  13.919  -1.196
  193    HB   ILE  31           HB       ILE  31  42.880  15.509  -1.143
  194   HG12  ILE  31          HG12      ILE  31  42.763  15.166  -3.546
  195   HG13  ILE  31          HG11      ILE  31  43.920  14.019  -2.882
  196   HG21  ILE  31          HG21      ILE  31  42.294  13.622   0.403
  197   HG22  ILE  31          HG22      ILE  31  43.808  13.377  -0.469
  198   HG23  ILE  31          HG23      ILE  31  42.347  12.531  -0.982
  199   HD11  ILE  31          HD11      ILE  31  41.552  12.610  -2.722
  200   HD12  ILE  31          HD12      ILE  31  42.742  12.449  -4.010
  201   HD13  ILE  31          HD13      ILE  31  41.355  13.514  -4.222
  202    HA   PRO  32           HA       PRO  32  40.619  18.060   1.090
  203    HB2  PRO  32           HB2      PRO  32  40.618  20.383  -0.346
  204    HB3  PRO  32           HB1      PRO  32  42.095  19.492   0.062
  205    HG2  PRO  32           HG2      PRO  32  40.742  19.779  -2.515
  206    HG3  PRO  32           HG1      PRO  32  42.414  19.323  -2.159
  207    HD2  PRO  32           HD2      PRO  32  40.228  17.590  -2.861
  208    HD3  PRO  32           HD1      PRO  32  41.904  17.134  -2.494
  209    H    ALA  33           HN       ALA  33  38.364  16.797  -0.543
  210    HA   ALA  33           HA       ALA  33  36.310  18.839   0.058
  211    HB1  ALA  33           HB1      ALA  33  36.189  16.836  -2.206
  212    HB2  ALA  33           HB2      ALA  33  36.667  18.522  -2.405
  213    HB3  ALA  33           HB3      ALA  33  35.037  18.126  -1.863
  214    H    ILE  34           HN       ILE  34  37.233  15.454  -0.052
  215    HA   ILE  34           HA       ILE  34  34.793  14.731   1.444
  216    HB   ILE  34           HB       ILE  34  36.791  12.986  -0.016
  217   HG12  ILE  34          HG12      ILE  34  33.883  13.559  -0.650
  218   HG13  ILE  34          HG11      ILE  34  35.224  14.423  -1.403
  219   HG21  ILE  34          HG21      ILE  34  34.273  12.362   1.547
  220   HG22  ILE  34          HG22      ILE  34  35.899  11.746   1.840
  221   HG23  ILE  34          HG23      ILE  34  35.006  11.231   0.410
  222   HD11  ILE  34          HD11      ILE  34  36.121  12.328  -2.289
  223   HD12  ILE  34          HD12      ILE  34  34.440  12.508  -2.790
  224   HD13  ILE  34          HD13      ILE  34  34.855  11.414  -1.470
  225    H    TYR  35           HN       TYR  35  38.318  14.223   1.415
  226    HA   TYR  35           HA       TYR  35  38.357  13.035   4.029
  227    HB2  TYR  35           HB2      TYR  35  40.073  12.670   2.187
  228    HB3  TYR  35           HB1      TYR  35  40.696  14.274   2.574
  229    HD1  TYR  35           HD2      TYR  35  40.232  10.828   3.807
  230    HD2  TYR  35           HD1      TYR  35  41.837  14.716   4.677
  231    HE1  TYR  35           HE2      TYR  35  41.511   9.875   5.705
  232    HE2  TYR  35           HE1      TYR  35  43.117  13.763   6.576
  233    HH   TYR  35           HH       TYR  35  43.475  10.385   7.038
  234    H    MET  36           HN       MET  36  37.878  16.159   2.988
  235    HA   MET  36           HA       MET  36  39.164  17.370   5.345
  236    HB2  MET  36           HB2      MET  36  39.667  18.438   3.203
  237    HB3  MET  36           HB1      MET  36  37.945  18.647   2.885
  238    HG2  MET  36           HG2      MET  36  37.703  20.158   4.741
  239    HG3  MET  36           HG1      MET  36  39.331  19.799   5.318
  240    HE1  MET  36           HE1      MET  36  41.283  19.929   4.022
  241    HE2  MET  36           HE2      MET  36  41.401  21.581   4.623
  242    HE3  MET  36           HE3      MET  36  41.720  21.245   2.923
  243    H    LEU  37           HN       LEU  37  36.120  17.839   3.535
  244    HA   LEU  37           HA       LEU  37  34.693  19.069   5.590
  245    HB2  LEU  37           HB2      LEU  37  33.525  17.250   3.475
  246    HB3  LEU  37           HB1      LEU  37  32.704  18.557   4.326
  247    HG   LEU  37           HG       LEU  37  35.085  18.886   2.475
  248   HD11  LEU  37          HD11      LEU  37  32.246  19.853   2.077
  249   HD12  LEU  37          HD12      LEU  37  32.815  18.306   1.447
  250   HD13  LEU  37          HD13      LEU  37  33.553  19.809   0.892
  251   HD21  LEU  37          HD21      LEU  37  35.277  20.668   3.973
  252   HD22  LEU  37          HD22      LEU  37  33.539  20.747   4.258
  253   HD23  LEU  37          HD23      LEU  37  34.213  21.360   2.749
  254    H    VAL  38           HN       VAL  38  35.866  15.931   5.490
  255    HA   VAL  38           HA       VAL  38  33.758  14.888   7.266
  256    HB   VAL  38           HB       VAL  38  36.018  13.493   5.816
  257   HG11  VAL  38          HG11      VAL  38  34.028  12.586   7.875
  258   HG12  VAL  38          HG12      VAL  38  35.736  12.175   7.723
  259   HG13  VAL  38          HG13      VAL  38  34.555  11.460   6.623
  260   HG21  VAL  38          HG21      VAL  38  33.930  14.350   4.555
  261   HG22  VAL  38          HG22      VAL  38  33.040  13.125   5.461
  262   HG23  VAL  38          HG23      VAL  38  34.339  12.645   4.369
  263    H    PHE  39           HN       PHE  39  36.879  16.233   7.305
  264    HA   PHE  39           HA       PHE  39  38.006  14.858   9.521
  265    HB2  PHE  39           HB2      PHE  39  39.480  16.130   8.145
  266    HB3  PHE  39           HB1      PHE  39  38.509  17.590   8.336
  267    HD1  PHE  39           HD2      PHE  39  38.553  18.880  10.413
  268    HD2  PHE  39           HD1      PHE  39  40.927  15.329   9.947
  269    HE1  PHE  39           HE2      PHE  39  39.865  19.493  12.426
  270    HE2  PHE  39           HE1      PHE  39  42.239  15.943  11.960
  271    HZ   PHE  39           HZ       PHE  39  41.708  18.024  13.200
  272    H    LEU  40           HN       LEU  40  35.829  17.599   9.222
  273    HA   LEU  40           HA       LEU  40  35.842  17.957  12.145
  274    HB2  LEU  40           HB2      LEU  40  34.533  20.030  11.628
  275    HB3  LEU  40           HB1      LEU  40  36.145  20.013  10.912
  276    HG   LEU  40           HG       LEU  40  34.208  18.765   9.144
  277   HD11  LEU  40          HD11      LEU  40  32.571  20.242  10.135
  278   HD12  LEU  40          HD12      LEU  40  33.038  20.928   8.579
  279   HD13  LEU  40          HD13      LEU  40  33.690  21.603  10.073
  280   HD21  LEU  40          HD21      LEU  40  35.859  21.290   8.829
  281   HD22  LEU  40          HD22      LEU  40  35.224  20.270   7.537
  282   HD23  LEU  40          HD23      LEU  40  36.500  19.663   8.593
  283    H    LEU  41           HN       LEU  41  34.206  16.258   9.814
  284    HA   LEU  41           HA       LEU  41  31.832  16.036  11.545
  285    HB2  LEU  41           HB2      LEU  41  31.893  16.588   8.588
  286    HB3  LEU  41           HB1      LEU  41  30.521  15.764   9.329
  287    HG   LEU  41           HG       LEU  41  31.483  18.234  10.683
  288   HD11  LEU  41          HD11      LEU  41  30.099  19.622   9.108
  289   HD12  LEU  41          HD12      LEU  41  30.006  18.226   8.034
  290   HD13  LEU  41          HD13      LEU  41  31.566  18.974   8.375
  291   HD21  LEU  41          HD21      LEU  41  29.224  18.405  11.320
  292   HD22  LEU  41          HD22      LEU  41  29.479  16.661  11.260
  293   HD23  LEU  41          HD23      LEU  41  28.665  17.480   9.927
  294    H    GLY  42           HN       GLY  42  33.665  14.222  11.913
  295    HA2  GLY  42           HA2      GLY  42  32.473  11.776  11.115
  296    HA3  GLY  42           HA1      GLY  42  33.926  12.065  10.164
  297    H    THR  43           HN       THR  43  35.254  13.525  12.335
  298    HA   THR  43           HA       THR  43  35.759  11.317  14.236
  299    HB   THR  43           HB       THR  43  37.688  12.899  12.573
  300    HG1  THR  43           HG1      THR  43  37.485  10.206  13.432
  301   HG21  THR  43          HG21      THR  43  38.589  13.407  14.686
  302   HG22  THR  43          HG22      THR  43  39.445  11.937  14.221
  303   HG23  THR  43          HG23      THR  43  38.106  11.852  15.366
  304    H    THR  44           HN       THR  44  36.163  14.791  13.587
  305    HA   THR  44           HA       THR  44  36.974  15.775  15.986
  306    HB   THR  44           HB       THR  44  34.970  16.808  14.004
  307    HG1  THR  44           HG1      THR  44  37.580  17.446  14.871
  308   HG21  THR  44          HG21      THR  44  35.635  17.921  16.720
  309   HG22  THR  44          HG22      THR  44  34.060  17.778  15.939
  310   HG23  THR  44          HG23      THR  44  35.209  18.995  15.388
  311    H    GLY  45           HN       GLY  45  33.785  14.501  15.213
  312    HA2  GLY  45           HA2      GLY  45  32.190  15.333  17.254
  313    HA3  GLY  45           HA1      GLY  45  32.154  13.681  16.643
  314    H    ASN  46           HN       ASN  46  33.684  12.135  17.611
  315    HA   ASN  46           HA       ASN  46  34.844  12.832  20.182
  316    HB2  ASN  46           HB2      ASN  46  32.298  12.208  20.417
  317    HB3  ASN  46           HB1      ASN  46  32.895  10.561  20.225
  318   HD21  ASN  46          HD21      ASN  46  34.241  13.433  21.958
  319   HD22  ASN  46          HD22      ASN  46  34.416  12.628  23.442
  320    H    GLY  47           HN       GLY  47  35.383  11.572  17.405
  321    HA2  GLY  47           HA2      GLY  47  36.420   8.950  18.201
  322    HA3  GLY  47           HA1      GLY  47  36.363   9.595  16.563
  323    H    LEU  48           HN       LEU  48  37.625  11.261  19.407
  324    HA   LEU  48           HA       LEU  48  40.237  11.442  18.061
  325    HB2  LEU  48           HB2      LEU  48  39.079  13.055  20.346
  326    HB3  LEU  48           HB1      LEU  48  40.663  13.315  19.615
  327    HG   LEU  48           HG       LEU  48  38.293  13.237  17.798
  328   HD11  LEU  48          HD11      LEU  48  38.990  15.523  19.660
  329   HD12  LEU  48          HD12      LEU  48  37.443  14.689  19.524
  330   HD13  LEU  48          HD13      LEU  48  38.008  15.720  18.209
  331   HD21  LEU  48          HD21      LEU  48  40.805  14.938  17.924
  332   HD22  LEU  48          HD22      LEU  48  39.645  14.907  16.597
  333   HD23  LEU  48          HD23      LEU  48  40.614  13.478  16.954
  334    H    VAL  49           HN       VAL  49  38.817   9.434  20.159
  335    HA   VAL  49           HA       VAL  49  40.975   9.305  22.127
  336    HB   VAL  49           HB       VAL  49  38.387   7.779  21.802
  337   HG11  VAL  49          HG11      VAL  49  39.141   7.000  24.204
  338   HG12  VAL  49          HG12      VAL  49  40.760   7.333  23.588
  339   HG13  VAL  49          HG13      VAL  49  39.736   6.147  22.780
  340   HG21  VAL  49          HG21      VAL  49  38.240  10.104  22.655
  341   HG22  VAL  49          HG22      VAL  49  39.403   9.703  23.919
  342   HG23  VAL  49          HG23      VAL  49  37.817   8.932  23.903
  343    H    LEU  50           HN       LEU  50  39.822   7.650  19.276
  344    HA   LEU  50           HA       LEU  50  41.832   5.528  19.643
  345    HB2  LEU  50           HB2      LEU  50  40.574   4.677  17.484
  346    HB3  LEU  50           HB1      LEU  50  39.867   4.443  19.083
  347    HG   LEU  50           HG       LEU  50  39.259   7.004  17.679
  348   HD11  LEU  50          HD11      LEU  50  38.267   4.280  16.850
  349   HD12  LEU  50          HD12      LEU  50  38.833   5.603  15.829
  350   HD13  LEU  50          HD13      LEU  50  37.266   5.715  16.631
  351   HD21  LEU  50          HD21      LEU  50  37.315   5.184  19.065
  352   HD22  LEU  50          HD22      LEU  50  37.341   6.946  19.005
  353   HD23  LEU  50          HD23      LEU  50  38.485   6.082  20.031
  354    H    TRP  51           HN       TRP  51  41.984   8.492  18.583
  355    HA   TRP  51           HA       TRP  51  43.238   7.948  15.981
  356    HB2  TRP  51           HB2      TRP  51  41.895   9.824  15.732
  357    HB3  TRP  51           HB1      TRP  51  42.227  10.408  17.363
  358    HD1  TRP  51           HD1      TRP  51  44.684   9.460  14.529
  359    HE1  TRP  51           HE1      TRP  51  46.261  11.461  14.135
  360    HE3  TRP  51           HE3      TRP  51  42.694  12.817  17.823
  361    HZ2  TRP  51           HZ2      TRP  51  46.631  14.131  15.089
  362    HZ3  TRP  51           HZ3      TRP  51  43.678  15.080  18.061
  363    HH2  TRP  51           HH2      TRP  51  45.641  15.740  16.699
  364    H    THR  52           HN       THR  52  44.123  10.374  18.403
  365    HA   THR  52           HA       THR  52  46.856  10.303  17.957
  366    HB   THR  52           HB       THR  52  45.746  12.050  19.286
  367    HG1  THR  52           HG1      THR  52  47.633  10.662  20.872
  368   HG21  THR  52          HG21      THR  52  45.725  10.515  21.782
  369   HG22  THR  52          HG22      THR  52  44.560   9.923  20.597
  370   HG23  THR  52          HG23      THR  52  44.505  11.605  21.123
  371    H    VAL  53           HN       VAL  53  44.858   8.194  19.905
  372    HA   VAL  53           HA       VAL  53  46.988   6.934  21.334
  373    HB   VAL  53           HB       VAL  53  44.111   6.223  20.795
  374   HG11  VAL  53          HG11      VAL  53  44.624   4.375  22.554
  375   HG12  VAL  53          HG12      VAL  53  46.299   4.558  22.032
  376   HG13  VAL  53          HG13      VAL  53  45.062   4.069  20.874
  377   HG21  VAL  53          HG21      VAL  53  45.415   6.510  23.480
  378   HG22  VAL  53          HG22      VAL  53  43.765   6.897  22.992
  379   HG23  VAL  53          HG23      VAL  53  45.091   7.968  22.540
  380    H    PHE  54           HN       PHE  54  45.667   6.603  18.159
  381    HA   PHE  54           HA       PHE  54  46.423   3.928  17.612
  382    HB2  PHE  54           HB2      PHE  54  44.936   5.646  16.262
  383    HB3  PHE  54           HB1      PHE  54  46.467   6.012  15.468
  384    HD1  PHE  54           HD1      PHE  54  43.964   3.376  16.141
  385    HD2  PHE  54           HD2      PHE  54  47.576   4.392  14.050
  386    HE1  PHE  54           HE1      PHE  54  43.744   1.325  14.766
  387    HE2  PHE  54           HE2      PHE  54  47.356   2.341  12.674
  388    HZ   PHE  54           HZ       PHE  54  45.440   0.807  13.032
  389    H    ARG  55           HN       ARG  55  48.190   6.927  17.708
  390    HA   ARG  55           HA       ARG  55  50.430   6.148  16.152
  391    HB2  ARG  55           HB2      ARG  55  49.954   8.238  18.261
  392    HB3  ARG  55           HB1      ARG  55  51.581   7.950  17.644
  393    HG2  ARG  55           HG2      ARG  55  50.503   9.727  16.348
  394    HG3  ARG  55           HG1      ARG  55  50.746   8.309  15.329
  395    HD2  ARG  55           HD2      ARG  55  48.467   7.714  15.406
  396    HD3  ARG  55           HD1      ARG  55  48.161   8.710  16.826
  397    HE   ARG  55           HE       ARG  55  48.045   9.572  14.105
  398   HH11  ARG  55          HH21      ARG  55  48.943  10.516  17.310
  399   HH12  ARG  55          HH22      ARG  55  48.686  12.207  17.032
  400   HH21  ARG  55          HH11      ARG  55  47.707  11.786  13.732
  401   HH22  ARG  55          HH12      ARG  55  47.986  12.926  15.006
  402    H    LYS  56           HN       LYS  56  49.566   5.699  19.531
  403    HA   LYS  56           HA       LYS  56  52.157   4.418  20.065
  404    HB2  LYS  56           HB2      LYS  56  49.999   4.751  22.121
  405    HB3  LYS  56           HB1      LYS  56  51.751   4.750  22.330
  406    HG2  LYS  56           HG2      LYS  56  51.846   6.915  21.066
  407    HG3  LYS  56           HG1      LYS  56  50.082   6.933  21.049
  408    HD2  LYS  56           HD2      LYS  56  49.997   7.003  23.469
  409    HD3  LYS  56           HD1      LYS  56  51.743   6.778  23.579
  410    HE2  LYS  56           HE2      LYS  56  50.808   9.192  23.806
  411    HE3  LYS  56           HE1      LYS  56  52.198   8.936  22.751
  412    HZ1  LYS  56           HZ1      LYS  56  50.483  10.286  21.692
  413    HZ2  LYS  56           HZ2      LYS  56  49.366   9.018  21.862
  414    HZ3  LYS  56           HZ3      LYS  56  50.724   8.828  20.860
  415    H    LYS  57           HN       LYS  57  50.074   3.209  18.353
  416    HA   LYS  57           HA       LYS  57  48.523   1.259  19.510
  417    HB2  LYS  57           HB2      LYS  57  48.715   1.748  17.054
  418    HB3  LYS  57           HB1      LYS  57  50.219   0.824  17.046
  419    HG2  LYS  57           HG2      LYS  57  49.020  -1.159  17.880
  420    HG3  LYS  57           HG1      LYS  57  47.514  -0.240  17.912
  421    HD2  LYS  57           HD2      LYS  57  48.510   0.168  15.334
  422    HD3  LYS  57           HD1      LYS  57  48.832  -1.536  15.660
  423    HE2  LYS  57           HE2      LYS  57  46.595  -1.275  14.682
  424    HE3  LYS  57           HE1      LYS  57  46.468  -1.837  16.348
  425    HZ1  LYS  57           HZ1      LYS  57  44.923  -0.030  15.882
  426    HZ2  LYS  57           HZ2      LYS  57  46.218   0.988  15.462
  427    HZ3  LYS  57           HZ3      LYS  57  46.059   0.425  17.057
  428    H    GLY  58           HN       GLY  58  51.952   0.926  18.579
  429    HA2  GLY  58           HA2      GLY  58  53.206  -0.200  20.562
  430    HA3  GLY  58           HA1      GLY  58  52.116  -1.532  20.189
  431    H    HIS  59           HN       HIS  59  52.060  -1.896  17.628
  432    HA   HIS  59           HA       HIS  59  54.736  -1.676  16.466
  433    HB2  HIS  59           HB2      HIS  59  54.302  -4.264  15.876
  434    HB3  HIS  59           HB1      HIS  59  55.212  -3.750  17.297
  435    HD2  HIS  59           HD2      HIS  59  51.274  -3.525  17.230
  436    HE1  HIS  59           HE1      HIS  59  52.394  -6.467  20.042
  437    HE2  HIS  59           HE2      HIS  59  50.440  -5.153  19.093
  438    H    HIS  60           HN       HIS  60  52.239  -3.984  15.572
  439    HA   HIS  60           HA       HIS  60  50.862  -2.394  13.689
  440    HB2  HIS  60           HB2      HIS  60  53.453  -3.168  12.836
  441    HB3  HIS  60           HB1      HIS  60  52.296  -4.144  11.932
  442    HD2  HIS  60           HD2      HIS  60  51.516  -2.783   9.673
  443    HE1  HIS  60           HE1      HIS  60  51.784   1.147  11.191
  444    HE2  HIS  60           HE2      HIS  60  51.215  -0.243   9.144
  445    H    HIS  61           HN       HIS  61  50.068  -4.098  11.800
  446    HA   HIS  61           HA       HIS  61  48.487  -5.997  13.255
  447    HB2  HIS  61           HB2      HIS  61  47.586  -4.859  11.288
  448    HB3  HIS  61           HB1      HIS  61  48.835  -5.584  10.275
  449    HD2  HIS  61           HD2      HIS  61  47.505  -8.143  12.793
  450    HE1  HIS  61           HE1      HIS  61  45.355  -8.795   9.219
  451    HE2  HIS  61           HE2      HIS  61  45.882  -9.741  11.516
  452    H    HIS  62           HN       HIS  62  50.794  -6.445  10.561
  453    HA   HIS  62           HA       HIS  62  51.085  -9.259  11.226
  454    HB2  HIS  62           HB2      HIS  62  51.570  -7.582   8.929
  455    HB3  HIS  62           HB1      HIS  62  53.008  -8.533   9.304
  456    HD2  HIS  62           HD2      HIS  62  50.171  -9.079   7.079
  457    HE1  HIS  62           HE1      HIS  62  50.642 -12.865   8.886
  458    HE2  HIS  62           HE2      HIS  62  49.560 -11.615   6.959
  459    H    HIS  63           HN       HIS  63  53.640  -9.887  10.810
  460    HA   HIS  63           HA       HIS  63  55.456  -8.183  12.272
  461    HB2  HIS  63           HB2      HIS  63  55.893 -10.032  13.995
  462    HB3  HIS  63           HB1      HIS  63  54.433  -9.066  14.216
  463    HD2  HIS  63           HD2      HIS  63  55.426 -12.756  13.583
  464    HE1  HIS  63           HE1      HIS  63  51.222 -12.537  13.252
  465    HE2  HIS  63           HE2      HIS  63  53.206 -14.117  13.390
  466    H    HIS  64           HN       HIS  64  55.602  -9.132   9.694
  467    HA   HIS  64           HA       HIS  64  56.792 -11.522   9.113
  468    HB2  HIS  64           HB2      HIS  64  58.285  -9.907   7.543
  469    HB3  HIS  64           HB1      HIS  64  56.602 -10.306   7.196
  470    HD2  HIS  64           HD2      HIS  64  55.619  -7.846   6.347
  471    HE1  HIS  64           HE1      HIS  64  57.015  -5.533   9.592
  472    HE2  HIS  64           HE2      HIS  64  55.612  -5.491   7.476
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  74.249  43.275   8.192
    2    H2   MET   1           HT2      MET   1  72.742  43.756   8.811
    3    H3   MET   1           HT3      MET   1  74.075  44.806   8.900
    4    HA   MET   1           HA       MET   1  72.746  43.896   6.406
    5    HB2  MET   1           HB2      MET   1  72.574  46.369   8.099
    6    HB3  MET   1           HB1      MET   1  72.374  46.506   6.352
    7    HG2  MET   1           HG2      MET   1  70.501  45.032   6.349
    8    HG3  MET   1           HG1      MET   1  70.830  44.492   7.995
    9    HE1  MET   1           HE1      MET   1  68.950  45.406   9.817
   10    HE2  MET   1           HE2      MET   1  68.504  44.676   8.278
   11    HE3  MET   1           HE3      MET   1  67.649  46.108   8.845
   12    H    GLU   2           HN       GLU   2  74.352  43.593   4.978
   13    HA   GLU   2           HA       GLU   2  76.226  45.781   4.505
   14    HB2  GLU   2           HB2      GLU   2  77.151  43.905   6.148
   15    HB3  GLU   2           HB1      GLU   2  77.443  43.061   4.626
   16    HG2  GLU   2           HG2      GLU   2  78.511  45.292   3.842
   17    HG3  GLU   2           HG1      GLU   2  78.564  45.699   5.555
   18    H    GLU   3           HN       GLU   3  74.064  45.010   2.961
   19    HA   GLU   3           HA       GLU   3  74.318  43.120   1.005
   20    HB2  GLU   3           HB2      GLU   3  73.036  45.749   1.204
   21    HB3  GLU   3           HB1      GLU   3  73.441  45.288  -0.450
   22    HG2  GLU   3           HG2      GLU   3  72.263  43.165  -0.185
   23    HG3  GLU   3           HG1      GLU   3  71.928  43.535   1.506
   24    H    GLY   4           HN       GLY   4  75.906  42.607  -0.344
   25    HA2  GLY   4           HA2      GLY   4  77.123  44.344  -2.164
   26    HA3  GLY   4           HA1      GLY   4  78.198  44.213  -0.776
   27    H    GLY   5           HN       GLY   5  76.078  41.740  -2.184
   28    HA2  GLY   5           HA2      GLY   5  78.354  39.908  -2.335
   29    HA3  GLY   5           HA1      GLY   5  76.656  39.480  -2.520
   30    H    ASP   6           HN       ASP   6  76.159  41.670  -4.424
   31    HA   ASP   6           HA       ASP   6  75.935  41.730  -6.728
   32    HB2  ASP   6           HB2      ASP   6  78.248  42.816  -6.003
   33    HB3  ASP   6           HB1      ASP   6  78.902  41.467  -6.930
   34    H    PHE   7           HN       PHE   7  75.870  39.046  -5.575
   35    HA   PHE   7           HA       PHE   7  76.125  37.546  -7.999
   36    HB2  PHE   7           HB2      PHE   7  78.472  37.479  -7.422
   37    HB3  PHE   7           HB1      PHE   7  78.093  37.003  -5.766
   38    HD1  PHE   7           HD1      PHE   7  77.680  35.920  -9.323
   39    HD2  PHE   7           HD2      PHE   7  77.859  34.730  -5.199
   40    HE1  PHE   7           HE1      PHE   7  77.661  33.536 -10.009
   41    HE2  PHE   7           HE2      PHE   7  77.840  32.346  -5.886
   42    HZ   PHE   7           HZ       PHE   7  77.741  31.750  -8.291
   43    H    ASP   8           HN       ASP   8  76.733  36.167  -4.831
   44    HA   ASP   8           HA       ASP   8  75.546  34.524  -3.711
   45    HB2  ASP   8           HB2      ASP   8  74.551  36.834  -3.075
   46    HB3  ASP   8           HB1      ASP   8  73.177  36.341  -4.064
   47    H    ASN   9           HN       ASN   9  75.467  32.796  -5.133
   48    HA   ASN   9           HA       ASN   9  73.638  32.625  -7.314
   49    HB2  ASN   9           HB2      ASN   9  74.348  30.332  -7.497
   50    HB3  ASN   9           HB1      ASN   9  75.763  31.307  -7.104
   51   HD21  ASN   9          HD21      ASN   9  76.439  31.310  -4.750
   52   HD22  ASN   9          HD22      ASN   9  76.096  29.942  -3.805
   53    H    TYR  10           HN       TYR  10  72.837  32.963  -4.258
   54    HA   TYR  10           HA       TYR  10  70.907  32.546  -3.078
   55    HB2  TYR  10           HB2      TYR  10  69.810  30.833  -5.268
   56    HB3  TYR  10           HB1      TYR  10  68.984  32.001  -4.237
   57    HD1  TYR  10           HD2      TYR  10  70.584  34.411  -4.465
   58    HD2  TYR  10           HD1      TYR  10  69.551  31.541  -7.490
   59    HE1  TYR  10           HE2      TYR  10  70.856  36.152  -6.210
   60    HE2  TYR  10           HE1      TYR  10  69.824  33.282  -9.235
   61    HH   TYR  10           HH       TYR  10  70.904  36.570  -8.396
   62    H    TYR  11           HN       TYR  11  71.392  29.609  -5.053
   63    HA   TYR  11           HA       TYR  11  71.668  27.408  -4.461
   64    HB2  TYR  11           HB2      TYR  11  73.588  27.300  -3.314
   65    HB3  TYR  11           HB1      TYR  11  73.356  28.948  -2.729
   66    HD1  TYR  11           HD1      TYR  11  72.339  25.406  -2.094
   67    HD2  TYR  11           HD2      TYR  11  72.811  29.356  -0.472
   68    HE1  TYR  11           HE1      TYR  11  71.848  24.533   0.174
   69    HE2  TYR  11           HE2      TYR  11  72.319  28.483   1.797
   70    HH   TYR  11           HH       TYR  11  70.926  26.310   2.667
   71    H    GLY  12           HN       GLY  12  70.659  25.737  -3.306
   72    HA2  GLY  12           HA2      GLY  12  68.744  24.852  -2.339
   73    HA3  GLY  12           HA1      GLY  12  69.349  25.717  -0.929
   74    H    ALA  13           HN       ALA  13  68.326  27.349  -3.851
   75    HA   ALA  13           HA       ALA  13  66.486  29.003  -2.412
   76    HB1  ALA  13           HB1      ALA  13  66.385  28.816  -5.387
   77    HB2  ALA  13           HB2      ALA  13  67.868  29.416  -4.646
   78    HB3  ALA  13           HB3      ALA  13  66.338  30.240  -4.346
   79    H    ASP  14           HN       ASP  14  66.251  25.970  -4.009
   80    HA   ASP  14           HA       ASP  14  63.603  25.935  -4.885
   81    HB2  ASP  14           HB2      ASP  14  63.748  23.567  -4.832
   82    HB3  ASP  14           HB1      ASP  14  65.385  24.130  -5.165
   83    H    ASN  15           HN       ASN  15  64.888  25.995  -1.678
   84    HA   ASN  15           HA       ASN  15  62.962  24.781  -0.131
   85    HB2  ASN  15           HB2      ASN  15  65.114  26.161   0.505
   86    HB3  ASN  15           HB1      ASN  15  63.960  27.481   0.690
   87   HD21  ASN  15          HD21      ASN  15  65.471  26.074   2.853
   88   HD22  ASN  15          HD22      ASN  15  64.292  25.429   3.889
   89    H    GLN  16           HN       GLN  16  62.868  28.045  -1.534
   90    HA   GLN  16           HA       GLN  16  60.106  28.376  -0.599
   91    HB2  GLN  16           HB2      GLN  16  61.987  30.315  -1.968
   92    HB3  GLN  16           HB1      GLN  16  60.367  30.704  -1.392
   93    HG2  GLN  16           HG2      GLN  16  61.990  29.391   0.654
   94    HG3  GLN  16           HG1      GLN  16  62.707  30.900   0.094
   95   HE21  GLN  16          HE21      GLN  16  60.878  32.740  -0.154
   96   HE22  GLN  16          HE22      GLN  16  59.818  32.853   1.167
   97    H    SER  17           HN       SER  17  60.411  26.390  -2.517
   98    HA   SER  17           HA       SER  17  58.795  27.506  -4.681
   99    HB2  SER  17           HB2      SER  17  60.316  27.289  -6.319
  100    HB3  SER  17           HB1      SER  17  61.530  27.077  -5.060
  101    HG   SER  17           HG       SER  17  60.422  25.257  -6.772
  102    H    GLU  18           HN       GLU  18  57.201  26.148  -5.254
  103    HA   GLU  18           HA       GLU  18  56.457  23.934  -3.824
  104    HB2  GLU  18           HB2      GLU  18  55.959  24.375  -6.779
  105    HB3  GLU  18           HB1      GLU  18  55.022  23.327  -5.714
  106    HG2  GLU  18           HG2      GLU  18  53.722  25.110  -5.263
  107    HG3  GLU  18           HG1      GLU  18  55.093  25.788  -4.386
  108    H    CYS  19           HN       CYS  19  57.942  22.382  -3.350
  109    HA   CYS  19           HA       CYS  19  59.433  21.127  -5.551
  110    HB2  CYS  19           HB2      CYS  19  60.741  21.794  -3.594
  111    HB3  CYS  19           HB1      CYS  19  59.700  20.828  -2.550
  112    HG   CYS  19           HG       CYS  19  60.543  18.701  -4.006
  113    H    GLU  20           HN       GLU  20  56.557  20.738  -3.934
  114    HA   GLU  20           HA       GLU  20  56.372  17.945  -4.799
  115    HB2  GLU  20           HB2      GLU  20  55.365  18.700  -2.066
  116    HB3  GLU  20           HB1      GLU  20  55.659  17.093  -2.730
  117    HG2  GLU  20           HG2      GLU  20  58.100  17.620  -2.813
  118    HG3  GLU  20           HG1      GLU  20  57.761  19.160  -2.026
  119    H    TYR  21           HN       TYR  21  54.588  20.551  -3.134
  120    HA   TYR  21           HA       TYR  21  52.030  19.738  -4.048
  121    HB2  TYR  21           HB2      TYR  21  52.973  22.472  -3.150
  122    HB3  TYR  21           HB1      TYR  21  51.291  21.964  -3.306
  123    HD1  TYR  21           HD2      TYR  21  50.517  19.927  -1.941
  124    HD2  TYR  21           HD1      TYR  21  54.188  22.023  -1.177
  125    HE1  TYR  21           HE2      TYR  21  50.600  18.951   0.337
  126    HE2  TYR  21           HE1      TYR  21  54.271  21.047   1.101
  127    HH   TYR  21           HH       TYR  21  52.049  18.538   2.107
  128    H    THR  22           HN       THR  22  52.891  19.351  -6.333
  129    HA   THR  22           HA       THR  22  51.789  21.310  -8.064
  130    HB   THR  22           HB       THR  22  53.837  22.546  -7.613
  131    HG1  THR  22           HG1      THR  22  54.766  21.958  -9.933
  132   HG21  THR  22          HG21      THR  22  56.022  21.606  -7.950
  133   HG22  THR  22          HG22      THR  22  55.344  20.130  -8.636
  134   HG23  THR  22          HG23      THR  22  55.133  20.483  -6.921
  135    H    ASP  23           HN       ASP  23  53.976  18.572  -7.666
  136    HA   ASP  23           HA       ASP  23  53.720  17.621 -10.354
  137    HB2  ASP  23           HB2      ASP  23  55.232  16.947  -8.049
  138    HB3  ASP  23           HB1      ASP  23  54.352  15.501  -8.539
  139    H    TRP  24           HN       TRP  24  51.609  17.664  -7.736
  140    HA   TRP  24           HA       TRP  24  49.875  15.695  -9.058
  141    HB2  TRP  24           HB2      TRP  24  49.331  14.594  -6.975
  142    HB3  TRP  24           HB1      TRP  24  51.081  14.548  -7.189
  143    HD1  TRP  24           HD1      TRP  24  52.270  16.956  -6.060
  144    HE1  TRP  24           HE1      TRP  24  51.884  17.810  -3.659
  145    HE3  TRP  24           HE3      TRP  24  47.875  14.592  -4.977
  146    HZ2  TRP  24           HZ2      TRP  24  49.964  17.529  -1.557
  147    HZ3  TRP  24           HZ3      TRP  24  46.791  14.902  -2.771
  148    HH2  TRP  24           HH2      TRP  24  47.830  16.367  -1.061
  149    H    LYS  25           HN       LYS  25  50.080  17.984  -6.328
  150    HA   LYS  25           HA       LYS  25  48.461  19.327  -5.391
  151    HB2  LYS  25           HB2      LYS  25  49.388  20.639  -7.279
  152    HB3  LYS  25           HB1      LYS  25  48.122  19.997  -8.326
  153    HG2  LYS  25           HG2      LYS  25  46.522  21.341  -7.432
  154    HG3  LYS  25           HG1      LYS  25  47.152  21.170  -5.795
  155    HD2  LYS  25           HD2      LYS  25  48.639  22.779  -7.866
  156    HD3  LYS  25           HD1      LYS  25  47.337  23.498  -6.918
  157    HE2  LYS  25           HE2      LYS  25  48.571  23.524  -5.003
  158    HE3  LYS  25           HE1      LYS  25  49.313  21.960  -5.345
  159    HZ1  LYS  25           HZ1      LYS  25  50.076  24.117  -7.122
  160    HZ2  LYS  25           HZ2      LYS  25  51.029  22.907  -6.406
  161    HZ3  LYS  25           HZ3      LYS  25  50.600  24.290  -5.518
  162    H    SER  26           HN       SER  26  47.394  16.854  -5.449
  163    HA   SER  26           HA       SER  26  45.301  15.920  -5.117
  164    HB2  SER  26           HB2      SER  26  43.421  17.235  -5.133
  165    HB3  SER  26           HB1      SER  26  44.638  18.508  -5.085
  166    HG   SER  26           HG       SER  26  43.384  17.430  -7.398
  167    H    SER  27           HN       SER  27  44.795  14.207  -6.311
  168    HA   SER  27           HA       SER  27  45.197  14.283  -9.190
  169    HB2  SER  27           HB2      SER  27  44.530  11.806  -8.933
  170    HB3  SER  27           HB1      SER  27  46.053  12.324  -8.213
  171    HG   SER  27           HG       SER  27  44.225  11.085  -6.969
  172    H    GLY  28           HN       GLY  28  43.184  15.963  -8.741
  173    HA2  GLY  28           HA2      GLY  28  41.170  15.578 -10.361
  174    HA3  GLY  28           HA1      GLY  28  40.657  14.501  -9.067
  175    H    ALA  29           HN       ALA  29  42.087  16.511  -7.193
  176    HA   ALA  29           HA       ALA  29  41.545  18.379  -5.957
  177    HB1  ALA  29           HB1      ALA  29  41.120  19.251  -8.442
  178    HB2  ALA  29           HB2      ALA  29  40.664  20.207  -7.032
  179    HB3  ALA  29           HB3      ALA  29  39.447  19.256  -7.883
  180    H    LEU  30           HN       LEU  30  40.307  15.916  -5.460
  181    HA   LEU  30           HA       LEU  30  37.711  16.827  -4.386
  182    HB2  LEU  30           HB2      LEU  30  36.705  14.684  -4.911
  183    HB3  LEU  30           HB1      LEU  30  37.358  15.388  -6.391
  184    HG   LEU  30           HG       LEU  30  39.512  13.975  -5.385
  185   HD11  LEU  30          HD11      LEU  30  38.099  12.893  -3.699
  186   HD12  LEU  30          HD12      LEU  30  38.615  11.716  -4.905
  187   HD13  LEU  30          HD13      LEU  30  36.977  12.367  -4.954
  188   HD21  LEU  30          HD21      LEU  30  38.771  14.083  -7.734
  189   HD22  LEU  30          HD22      LEU  30  37.391  13.053  -7.350
  190   HD23  LEU  30          HD23      LEU  30  39.029  12.409  -7.239
  191    H    ILE  31           HN       ILE  31  40.739  15.704  -3.740
  192    HA   ILE  31           HA       ILE  31  40.184  13.809  -1.668
  193    HB   ILE  31           HB       ILE  31  42.727  15.322  -1.560
  194   HG12  ILE  31          HG12      ILE  31  41.757  13.824  -3.995
  195   HG13  ILE  31          HG11      ILE  31  42.612  15.366  -3.918
  196   HG21  ILE  31          HG21      ILE  31  43.610  13.197  -1.075
  197   HG22  ILE  31          HG22      ILE  31  42.299  12.361  -1.908
  198   HG23  ILE  31          HG23      ILE  31  42.003  13.136  -0.352
  199   HD11  ILE  31          HD11      ILE  31  44.547  13.983  -2.866
  200   HD12  ILE  31          HD12      ILE  31  44.285  13.866  -4.607
  201   HD13  ILE  31          HD13      ILE  31  43.706  12.586  -3.540
  202    HA   PRO  32           HA       PRO  32  40.675  17.532   1.219
  203    HB2  PRO  32           HB2      PRO  32  40.671  20.052   0.177
  204    HB3  PRO  32           HB1      PRO  32  42.138  19.068   0.322
  205    HG2  PRO  32           HG2      PRO  32  40.603  19.796  -2.065
  206    HG3  PRO  32           HG1      PRO  32  42.287  19.275  -1.917
  207    HD2  PRO  32           HD2      PRO  32  40.026  17.696  -2.725
  208    HD3  PRO  32           HD1      PRO  32  41.711  17.166  -2.544
  209    H    ALA  33           HN       ALA  33  38.334  16.899  -0.908
  210    HA   ALA  33           HA       ALA  33  36.368  18.777   0.255
  211    HB1  ALA  33           HB1      ALA  33  34.956  18.166  -1.705
  212    HB2  ALA  33           HB2      ALA  33  36.283  17.176  -2.315
  213    HB3  ALA  33           HB3      ALA  33  36.480  18.924  -2.170
  214    H    ILE  34           HN       ILE  34  37.278  15.449  -0.138
  215    HA   ILE  34           HA       ILE  34  34.809  14.583   1.243
  216    HB   ILE  34           HB       ILE  34  36.736  13.000  -0.472
  217   HG12  ILE  34          HG12      ILE  34  33.817  13.504  -1.021
  218   HG13  ILE  34          HG11      ILE  34  35.024  14.702  -1.488
  219   HG21  ILE  34          HG21      ILE  34  34.613  12.245   1.433
  220   HG22  ILE  34          HG22      ILE  34  35.943  11.281   0.791
  221   HG23  ILE  34          HG23      ILE  34  34.469  11.490  -0.155
  222   HD11  ILE  34          HD11      ILE  34  34.294  12.632  -3.082
  223   HD12  ILE  34          HD12      ILE  34  35.648  11.897  -2.226
  224   HD13  ILE  34          HD13      ILE  34  35.887  13.385  -3.143
  225    H    TYR  35           HN       TYR  35  38.328  14.427   1.227
  226    HA   TYR  35           HA       TYR  35  38.443  12.719   3.564
  227    HB2  TYR  35           HB2      TYR  35  40.171  12.974   1.596
  228    HB3  TYR  35           HB1      TYR  35  40.780  14.310   2.575
  229    HD1  TYR  35           HD1      TYR  35  39.889  10.684   2.725
  230    HD2  TYR  35           HD2      TYR  35  42.146  13.903   4.457
  231    HE1  TYR  35           HE1      TYR  35  41.056   9.070   4.203
  232    HE2  TYR  35           HE2      TYR  35  43.313  12.289   5.935
  233    HH   TYR  35           HH       TYR  35  43.306  10.170   6.709
  234    H    MET  36           HN       MET  36  38.280  16.100   2.890
  235    HA   MET  36           HA       MET  36  39.307  16.879   5.505
  236    HB2  MET  36           HB2      MET  36  39.731  18.213   3.402
  237    HB3  MET  36           HB1      MET  36  38.017  18.633   3.407
  238    HG2  MET  36           HG2      MET  36  38.576  20.349   4.762
  239    HG3  MET  36           HG1      MET  36  38.820  19.138   6.021
  240    HE1  MET  36           HE1      MET  36  40.268  20.482   2.840
  241    HE2  MET  36           HE2      MET  36  41.927  20.951   3.200
  242    HE3  MET  36           HE3      MET  36  40.591  21.893   3.857
  243    H    LEU  37           HN       LEU  37  36.257  17.339   3.697
  244    HA   LEU  37           HA       LEU  37  34.743  18.337   5.828
  245    HB2  LEU  37           HB2      LEU  37  33.696  16.616   3.573
  246    HB3  LEU  37           HB1      LEU  37  32.803  17.820   4.504
  247    HG   LEU  37           HG       LEU  37  35.170  18.389   2.694
  248   HD11  LEU  37          HD11      LEU  37  32.734  17.808   1.798
  249   HD12  LEU  37          HD12      LEU  37  33.669  19.125   1.090
  250   HD13  LEU  37          HD13      LEU  37  32.411  19.474   2.276
  251   HD21  LEU  37          HD21      LEU  37  34.195  20.797   3.147
  252   HD22  LEU  37          HD22      LEU  37  35.284  20.060   4.323
  253   HD23  LEU  37          HD23      LEU  37  33.543  20.046   4.602
  254    H    VAL  38           HN       VAL  38  35.948  15.188   5.277
  255    HA   VAL  38           HA       VAL  38  33.993  13.976   7.114
  256    HB   VAL  38           HB       VAL  38  36.117  12.711   5.368
  257   HG11  VAL  38          HG11      VAL  38  34.524  10.674   6.027
  258   HG12  VAL  38          HG12      VAL  38  34.262  11.663   7.464
  259   HG13  VAL  38          HG13      VAL  38  35.890  11.134   7.043
  260   HG21  VAL  38          HG21      VAL  38  34.317  12.053   3.942
  261   HG22  VAL  38          HG22      VAL  38  34.047  13.763   4.282
  262   HG23  VAL  38          HG23      VAL  38  33.106  12.537   5.130
  263    H    PHE  39           HN       PHE  39  36.792  15.622   7.347
  264    HA   PHE  39           HA       PHE  39  37.970  13.900   9.425
  265    HB2  PHE  39           HB2      PHE  39  39.489  14.760   7.679
  266    HB3  PHE  39           HB1      PHE  39  39.060  16.411   8.127
  267    HD1  PHE  39           HD2      PHE  39  40.193  13.228   9.769
  268    HD2  PHE  39           HD1      PHE  39  40.460  17.514   9.635
  269    HE1  PHE  39           HE2      PHE  39  41.901  13.178  11.566
  270    HE2  PHE  39           HE1      PHE  39  42.167  17.463  11.432
  271    HZ   PHE  39           HZ       PHE  39  42.889  15.296  12.398
  272    H    LEU  40           HN       LEU  40  36.058  16.709   8.985
  273    HA   LEU  40           HA       LEU  40  36.611  17.652  11.721
  274    HB2  LEU  40           HB2      LEU  40  34.948  18.993   9.581
  275    HB3  LEU  40           HB1      LEU  40  35.529  19.706  11.086
  276    HG   LEU  40           HG       LEU  40  37.280  18.703   8.821
  277   HD11  LEU  40          HD11      LEU  40  35.912  21.188   9.237
  278   HD12  LEU  40          HD12      LEU  40  37.019  20.754   7.935
  279   HD13  LEU  40          HD13      LEU  40  37.643  21.465   9.423
  280   HD21  LEU  40          HD21      LEU  40  37.820  19.760  11.584
  281   HD22  LEU  40          HD22      LEU  40  38.973  20.089  10.291
  282   HD23  LEU  40          HD23      LEU  40  38.595  18.424  10.733
  283    H    LEU  41           HN       LEU  41  34.500  15.678  10.039
  284    HA   LEU  41           HA       LEU  41  32.505  15.887  12.200
  285    HB2  LEU  41           HB2      LEU  41  32.001  15.911   9.229
  286    HB3  LEU  41           HB1      LEU  41  30.772  15.359  10.367
  287    HG   LEU  41           HG       LEU  41  32.084  17.919  11.068
  288   HD11  LEU  41          HD11      LEU  41  30.186  17.679   8.712
  289   HD12  LEU  41          HD12      LEU  41  31.875  18.181   8.632
  290   HD13  LEU  41          HD13      LEU  41  30.692  19.194   9.460
  291   HD21  LEU  41          HD21      LEU  41  29.776  18.487  11.684
  292   HD22  LEU  41          HD22      LEU  41  30.199  16.903  12.336
  293   HD23  LEU  41          HD23      LEU  41  29.189  17.023  10.896
  294    H    GLY  42           HN       GLY  42  34.779  14.037  10.986
  295    HA2  GLY  42           HA2      GLY  42  33.251  11.539  10.795
  296    HA3  GLY  42           HA1      GLY  42  34.956  11.743  10.410
  297    H    THR  43           HN       THR  43  35.777  13.074  12.754
  298    HA   THR  43           HA       THR  43  35.146  11.188  14.926
  299    HB   THR  43           HB       THR  43  37.208  10.415  13.722
  300    HG1  THR  43           HG1      THR  43  37.479   9.737  15.683
  301   HG21  THR  43          HG21      THR  43  37.904  12.831  13.201
  302   HG22  THR  43          HG22      THR  43  39.182  11.733  13.719
  303   HG23  THR  43          HG23      THR  43  38.503  12.894  14.858
  304    H    THR  44           HN       THR  44  36.800  14.172  13.947
  305    HA   THR  44           HA       THR  44  37.284  15.280  16.453
  306    HB   THR  44           HB       THR  44  36.644  16.531  13.785
  307    HG1  THR  44           HG1      THR  44  38.807  16.853  13.767
  308   HG21  THR  44          HG21      THR  44  37.118  17.831  16.461
  309   HG22  THR  44          HG22      THR  44  35.889  18.210  15.255
  310   HG23  THR  44          HG23      THR  44  37.573  18.643  14.963
  311    H    GLY  45           HN       GLY  45  34.300  14.646  14.912
  312    HA2  GLY  45           HA2      GLY  45  32.638  16.663  15.915
  313    HA3  GLY  45           HA1      GLY  45  32.118  15.024  15.535
  314    H    ASN  46           HN       ASN  46  33.577  13.546  17.356
  315    HA   ASN  46           HA       ASN  46  33.237  14.621  20.020
  316    HB2  ASN  46           HB2      ASN  46  31.315  12.616  18.870
  317    HB3  ASN  46           HB1      ASN  46  31.675  12.630  20.596
  318   HD21  ASN  46          HD21      ASN  46  31.901  15.389  21.100
  319   HD22  ASN  46          HD22      ASN  46  30.413  16.142  20.783
  320    H    GLY  47           HN       GLY  47  35.033  13.929  20.975
  321    HA2  GLY  47           HA2      GLY  47  35.804  11.620  21.918
  322    HA3  GLY  47           HA1      GLY  47  36.172  11.324  20.222
  323    H    LEU  48           HN       LEU  48  36.783  14.319  20.012
  324    HA   LEU  48           HA       LEU  48  39.602  14.062  20.728
  325    HB2  LEU  48           HB2      LEU  48  38.012  15.964  19.023
  326    HB3  LEU  48           HB1      LEU  48  39.655  16.364  19.516
  327    HG   LEU  48           HG       LEU  48  39.481  15.191  17.278
  328   HD11  LEU  48          HD11      LEU  48  41.335  14.808  19.357
  329   HD12  LEU  48          HD12      LEU  48  41.575  14.446  17.650
  330   HD13  LEU  48          HD13      LEU  48  40.995  13.192  18.743
  331   HD21  LEU  48          HD21      LEU  48  38.859  12.892  17.179
  332   HD22  LEU  48          HD22      LEU  48  37.603  13.675  18.136
  333   HD23  LEU  48          HD23      LEU  48  38.866  12.737  18.935
  334    H    VAL  49           HN       VAL  49  36.750  15.894  21.622
  335    HA   VAL  49           HA       VAL  49  38.154  17.809  23.240
  336    HB   VAL  49           HB       VAL  49  35.949  18.300  22.245
  337   HG11  VAL  49          HG11      VAL  49  33.968  17.176  22.938
  338   HG12  VAL  49          HG12      VAL  49  34.796  16.380  24.276
  339   HG13  VAL  49          HG13      VAL  49  35.136  15.896  22.615
  340   HG21  VAL  49          HG21      VAL  49  35.458  19.687  23.974
  341   HG22  VAL  49          HG22      VAL  49  36.833  18.944  24.789
  342   HG23  VAL  49          HG23      VAL  49  35.203  18.344  25.087
  343    H    LEU  50           HN       LEU  50  38.550  14.863  23.714
  344    HA   LEU  50           HA       LEU  50  38.049  14.926  26.621
  345    HB2  LEU  50           HB2      LEU  50  37.485  12.660  24.709
  346    HB3  LEU  50           HB1      LEU  50  37.678  12.409  26.443
  347    HG   LEU  50           HG       LEU  50  35.871  14.628  25.801
  348   HD11  LEU  50          HD11      LEU  50  35.260  11.820  24.847
  349   HD12  LEU  50          HD12      LEU  50  35.215  13.310  23.906
  350   HD13  LEU  50          HD13      LEU  50  34.007  13.021  25.157
  351   HD21  LEU  50          HD21      LEU  50  36.210  13.537  28.039
  352   HD22  LEU  50          HD22      LEU  50  35.476  12.072  27.388
  353   HD23  LEU  50          HD23      LEU  50  34.526  13.551  27.519
  354    H    TRP  51           HN       TRP  51  39.840  13.425  23.947
  355    HA   TRP  51           HA       TRP  51  41.939  12.519  25.750
  356    HB2  TRP  51           HB2      TRP  51  41.738  10.951  24.084
  357    HB3  TRP  51           HB1      TRP  51  41.272  12.142  22.870
  358    HD1  TRP  51           HD1      TRP  51  44.414  11.193  24.920
  359    HE1  TRP  51           HE1      TRP  51  46.486  11.612  23.445
  360    HE3  TRP  51           HE3      TRP  51  42.166  13.130  20.767
  361    HZ2  TRP  51           HZ2      TRP  51  47.109  12.632  20.848
  362    HZ3  TRP  51           HZ3      TRP  51  43.520  13.817  18.807
  363    HH2  TRP  51           HH2      TRP  51  45.986  13.569  18.843
  364    H    THR  52           HN       THR  52  42.001  14.406  22.719
  365    HA   THR  52           HA       THR  52  44.500  15.511  22.922
  366    HB   THR  52           HB       THR  52  41.935  16.654  21.823
  367    HG1  THR  52           HG1      THR  52  44.269  16.002  20.416
  368   HG21  THR  52          HG21      THR  52  43.125  18.628  22.315
  369   HG22  THR  52          HG22      THR  52  43.583  18.272  20.650
  370   HG23  THR  52          HG23      THR  52  44.684  17.879  21.970
  371    H    VAL  53           HN       VAL  53  41.833  16.063  24.984
  372    HA   VAL  53           HA       VAL  53  42.708  18.662  25.927
  373    HB   VAL  53           HB       VAL  53  40.514  16.752  26.671
  374   HG11  VAL  53          HG11      VAL  53  41.656  19.010  28.306
  375   HG12  VAL  53          HG12      VAL  53  41.151  17.407  28.839
  376   HG13  VAL  53          HG13      VAL  53  39.941  18.613  28.404
  377   HG21  VAL  53          HG21      VAL  53  39.141  18.361  25.760
  378   HG22  VAL  53          HG22      VAL  53  40.610  18.747  24.864
  379   HG23  VAL  53          HG23      VAL  53  40.173  19.689  26.290
  380    H    PHE  54           HN       PHE  54  42.984  15.295  26.894
  381    HA   PHE  54           HA       PHE  54  43.784  15.440  29.509
  382    HB2  PHE  54           HB2      PHE  54  43.653  13.418  27.833
  383    HB3  PHE  54           HB1      PHE  54  45.378  13.729  27.638
  384    HD1  PHE  54           HD2      PHE  54  46.913  13.585  29.584
  385    HD2  PHE  54           HD1      PHE  54  42.757  12.540  29.895
  386    HE1  PHE  54           HE2      PHE  54  47.365  12.422  31.726
  387    HE2  PHE  54           HE1      PHE  54  43.211  11.377  32.037
  388    HZ   PHE  54           HZ       PHE  54  45.515  11.317  32.953
  389    H    ARG  55           HN       ARG  55  45.778  16.053  26.634
  390    HA   ARG  55           HA       ARG  55  48.102  16.705  28.249
  391    HB2  ARG  55           HB2      ARG  55  48.689  17.575  25.715
  392    HB3  ARG  55           HB1      ARG  55  49.005  15.950  26.316
  393    HG2  ARG  55           HG2      ARG  55  46.361  16.722  25.065
  394    HG3  ARG  55           HG1      ARG  55  47.711  16.116  24.108
  395    HD2  ARG  55           HD2      ARG  55  47.263  14.427  26.427
  396    HD3  ARG  55           HD1      ARG  55  45.793  14.586  25.477
  397    HE   ARG  55           HE       ARG  55  46.854  13.497  23.691
  398   HH11  ARG  55          HH21      ARG  55  49.027  14.154  26.305
  399   HH12  ARG  55          HH22      ARG  55  50.278  13.126  25.698
  400   HH21  ARG  55          HH11      ARG  55  48.493  12.151  22.893
  401   HH22  ARG  55          HH12      ARG  55  49.979  11.992  23.768
  402    H    LYS  56           HN       LYS  56  45.649  18.402  26.357
  403    HA   LYS  56           HA       LYS  56  46.798  20.981  26.491
  404    HB2  LYS  56           HB2      LYS  56  44.684  19.957  25.179
  405    HB3  LYS  56           HB1      LYS  56  43.840  20.744  26.512
  406    HG2  LYS  56           HG2      LYS  56  43.982  22.470  24.940
  407    HG3  LYS  56           HG1      LYS  56  45.391  22.778  25.956
  408    HD2  LYS  56           HD2      LYS  56  46.476  22.814  23.941
  409    HD3  LYS  56           HD1      LYS  56  46.485  21.065  24.168
  410    HE2  LYS  56           HE2      LYS  56  44.582  22.715  22.499
  411    HE3  LYS  56           HE1      LYS  56  45.626  21.393  21.975
  412    HZ1  LYS  56           HZ1      LYS  56  43.176  20.883  22.319
  413    HZ2  LYS  56           HZ2      LYS  56  43.497  20.984  23.984
  414    HZ3  LYS  56           HZ3      LYS  56  44.291  19.822  23.031
  415    H    LYS  57           HN       LYS  57  45.975  19.089  29.001
  416    HA   LYS  57           HA       LYS  57  44.354  20.378  30.758
  417    HB2  LYS  57           HB2      LYS  57  45.944  18.309  31.067
  418    HB3  LYS  57           HB1      LYS  57  47.042  19.506  31.754
  419    HG2  LYS  57           HG2      LYS  57  45.226  20.236  33.299
  420    HG3  LYS  57           HG1      LYS  57  44.202  18.950  32.660
  421    HD2  LYS  57           HD2      LYS  57  46.155  17.365  33.281
  422    HD3  LYS  57           HD1      LYS  57  46.738  18.702  34.272
  423    HE2  LYS  57           HE2      LYS  57  43.974  17.467  34.467
  424    HE3  LYS  57           HE1      LYS  57  45.307  17.152  35.578
  425    HZ1  LYS  57           HZ1      LYS  57  43.486  19.290  35.596
  426    HZ2  LYS  57           HZ2      LYS  57  45.045  19.915  35.336
  427    HZ3  LYS  57           HZ3      LYS  57  44.729  18.952  36.699
  428    H    GLY  58           HN       GLY  58  47.485  21.448  29.639
  429    HA2  GLY  58           HA2      GLY  58  48.637  23.419  29.929
  430    HA3  GLY  58           HA1      GLY  58  47.079  24.138  30.324
  431    H    HIS  59           HN       HIS  59  46.622  24.641  32.411
  432    HA   HIS  59           HA       HIS  59  47.179  25.258  34.571
  433    HB2  HIS  59           HB2      HIS  59  47.340  22.288  34.385
  434    HB3  HIS  59           HB1      HIS  59  47.902  23.050  35.873
  435    HD2  HIS  59           HD2      HIS  59  44.547  22.385  33.987
  436    HE1  HIS  59           HE1      HIS  59  43.627  24.479  37.536
  437    HE2  HIS  59           HE2      HIS  59  42.640  23.223  35.561
  438    H    HIS  60           HN       HIS  60  49.501  22.656  34.686
  439    HA   HIS  60           HA       HIS  60  51.804  24.263  34.100
  440    HB2  HIS  60           HB2      HIS  60  50.858  24.870  36.524
  441    HB3  HIS  60           HB1      HIS  60  51.776  23.428  36.958
  442    HD2  HIS  60           HD2      HIS  60  52.856  26.561  37.710
  443    HE1  HIS  60           HE1      HIS  60  55.864  25.637  34.896
  444    HE2  HIS  60           HE2      HIS  60  55.220  27.193  36.797
  445    H    HIS  61           HN       HIS  61  50.324  21.368  35.353
  446    HA   HIS  61           HA       HIS  61  50.975  19.166  35.326
  447    HB2  HIS  61           HB2      HIS  61  51.412  19.869  32.894
  448    HB3  HIS  61           HB1      HIS  61  53.113  19.956  33.354
  449    HD2  HIS  61           HD2      HIS  61  50.430  17.110  34.173
  450    HE1  HIS  61           HE1      HIS  61  53.908  15.341  32.562
  451    HE2  HIS  61           HE2      HIS  61  51.607  14.870  33.524
  452    H    HIS  62           HN       HIS  62  53.970  18.715  34.502
  453    HA   HIS  62           HA       HIS  62  54.944  18.326  37.136
  454    HB2  HIS  62           HB2      HIS  62  57.048  17.717  36.061
  455    HB3  HIS  62           HB1      HIS  62  55.698  17.007  35.175
  456    HD2  HIS  62           HD2      HIS  62  58.197  20.060  34.744
  457    HE1  HIS  62           HE1      HIS  62  56.464  19.172  30.998
  458    HE2  HIS  62           HE2      HIS  62  58.187  20.607  32.191
  459    H    HIS  63           HN       HIS  63  56.792  19.332  38.134
  460    HA   HIS  63           HA       HIS  63  57.754  21.870  37.155
  461    HB2  HIS  63           HB2      HIS  63  56.903  23.238  38.975
  462    HB3  HIS  63           HB1      HIS  63  55.548  22.495  38.124
  463    HD2  HIS  63           HD2      HIS  63  55.818  23.220  41.561
  464    HE1  HIS  63           HE1      HIS  63  55.034  19.076  41.764
  465    HE2  HIS  63           HE2      HIS  63  55.062  21.242  43.090
  466    H    HIS  64           HN       HIS  64  59.275  19.744  37.604
  467    HA   HIS  64           HA       HIS  64  60.233  19.086  40.084
  468    HB2  HIS  64           HB2      HIS  64  61.370  19.189  37.370
  469    HB3  HIS  64           HB1      HIS  64  62.564  19.248  38.667
  470    HD2  HIS  64           HD2      HIS  64  59.521  16.864  37.683
  471    HE1  HIS  64           HE1      HIS  64  62.384  14.649  39.856
  472    HE2  HIS  64           HE2      HIS  64  60.183  14.510  38.598
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  53.344 -22.121   3.608
    2    H2   MET   1           HT2      MET   1  53.459 -21.555   5.205
    3    H3   MET   1           HT3      MET   1  54.804 -22.273   4.458
    4    HA   MET   1           HA       MET   1  55.018 -19.856   4.551
    5    HB2  MET   1           HB2      MET   1  55.386 -19.552   2.065
    6    HB3  MET   1           HB1      MET   1  56.158 -20.983   2.750
    7    HG2  MET   1           HG2      MET   1  53.414 -21.507   1.887
    8    HG3  MET   1           HG1      MET   1  54.442 -20.958   0.563
    9    HE1  MET   1           HE1      MET   1  53.955 -24.911   0.653
   10    HE2  MET   1           HE2      MET   1  53.028 -23.417   0.551
   11    HE3  MET   1           HE3      MET   1  53.223 -24.220   2.107
   12    H    GLU   2           HN       GLU   2  54.331 -17.920   3.041
   13    HA   GLU   2           HA       GLU   2  52.715 -16.332   2.657
   14    HB2  GLU   2           HB2      GLU   2  51.102 -18.744   1.796
   15    HB3  GLU   2           HB1      GLU   2  50.786 -17.066   1.354
   16    HG2  GLU   2           HG2      GLU   2  53.141 -17.017   0.375
   17    HG3  GLU   2           HG1      GLU   2  53.162 -18.768   0.576
   18    H    GLU   3           HN       GLU   3  52.733 -16.308   5.135
   19    HA   GLU   3           HA       GLU   3  50.791 -17.504   6.720
   20    HB2  GLU   3           HB2      GLU   3  51.997 -14.738   6.961
   21    HB3  GLU   3           HB1      GLU   3  51.084 -15.551   8.233
   22    HG2  GLU   3           HG2      GLU   3  52.779 -17.010   8.707
   23    HG3  GLU   3           HG1      GLU   3  53.303 -17.109   7.028
   24    H    GLY   4           HN       GLY   4  48.780 -16.719   7.551
   25    HA2  GLY   4           HA2      GLY   4  47.376 -14.469   6.756
   26    HA3  GLY   4           HA1      GLY   4  47.036 -15.695   5.539
   27    H    GLY   5           HN       GLY   5  46.948 -17.995   7.031
   28    HA2  GLY   5           HA2      GLY   5  45.766 -19.159   8.676
   29    HA3  GLY   5           HA1      GLY   5  45.163 -17.626   9.297
   30    H    ASP   6           HN       ASP   6  43.491 -16.522   7.994
   31    HA   ASP   6           HA       ASP   6  41.405 -18.330   7.288
   32    HB2  ASP   6           HB2      ASP   6  41.275 -15.907   8.254
   33    HB3  ASP   6           HB1      ASP   6  41.365 -15.421   6.563
   34    H    PHE   7           HN       PHE   7  43.663 -18.822   5.669
   35    HA   PHE   7           HA       PHE   7  44.336 -19.038   3.474
   36    HB2  PHE   7           HB2      PHE   7  41.344 -19.239   3.414
   37    HB3  PHE   7           HB1      PHE   7  42.256 -19.290   1.905
   38    HD1  PHE   7           HD2      PHE   7  42.071 -20.847   5.300
   39    HD2  PHE   7           HD1      PHE   7  43.307 -21.278   1.209
   40    HE1  PHE   7           HE2      PHE   7  42.645 -23.223   5.724
   41    HE2  PHE   7           HE1      PHE   7  43.881 -23.654   1.632
   42    HZ   PHE   7           HZ       PHE   7  43.550 -24.626   3.890
   43    H    ASP   8           HN       ASP   8  43.581 -16.242   4.591
   44    HA   ASP   8           HA       ASP   8  42.553 -14.543   2.705
   45    HB2  ASP   8           HB2      ASP   8  43.646 -14.086   5.051
   46    HB3  ASP   8           HB1      ASP   8  45.087 -13.754   4.093
   47    H    ASN   9           HN       ASN   9  43.027 -14.066   0.662
   48    HA   ASN   9           HA       ASN   9  45.802 -14.071  -0.251
   49    HB2  ASN   9           HB2      ASN   9  44.850 -16.401  -0.598
   50    HB3  ASN   9           HB1      ASN   9  43.727 -15.675  -1.748
   51   HD21  ASN   9          HD21      ASN   9  44.499 -15.331  -3.857
   52   HD22  ASN   9          HD22      ASN   9  46.124 -15.496  -4.315
   53    H    TYR  10           HN       TYR  10  43.452 -12.201   0.150
   54    HA   TYR  10           HA       TYR  10  42.695 -10.288  -0.877
   55    HB2  TYR  10           HB2      TYR  10  44.282 -10.847  -3.345
   56    HB3  TYR  10           HB1      TYR  10  44.006  -9.319  -2.510
   57    HD1  TYR  10           HD1      TYR  10  44.717  -9.911   0.255
   58    HD2  TYR  10           HD2      TYR  10  46.604 -11.193  -3.385
   59    HE1  TYR  10           HE1      TYR  10  46.866 -10.180   1.463
   60    HE2  TYR  10           HE2      TYR  10  48.753 -11.462  -2.175
   61    HH   TYR  10           HH       TYR  10  49.785 -10.395  -0.004
   62    H    TYR  11           HN       TYR  11  43.269 -12.532  -3.596
   63    HA   TYR  11           HA       TYR  11  41.836 -13.445  -5.142
   64    HB2  TYR  11           HB2      TYR  11  40.518 -13.679  -2.720
   65    HB3  TYR  11           HB1      TYR  11  39.333 -12.866  -3.743
   66    HD1  TYR  11           HD2      TYR  11  41.650 -15.794  -3.628
   67    HD2  TYR  11           HD1      TYR  11  38.145 -14.057  -5.402
   68    HE1  TYR  11           HE2      TYR  11  41.169 -17.937  -4.778
   69    HE2  TYR  11           HE1      TYR  11  37.665 -16.200  -6.553
   70    HH   TYR  11           HH       TYR  11  39.848 -18.587  -6.976
   71    H    GLY  12           HN       GLY  12  40.756 -12.724  -6.935
   72    HA2  GLY  12           HA2      GLY  12  40.187 -11.082  -8.472
   73    HA3  GLY  12           HA1      GLY  12  38.932 -10.742  -7.283
   74    H    ALA  13           HN       ALA  13  42.431 -10.305  -6.934
   75    HA   ALA  13           HA       ALA  13  42.077  -7.632  -5.934
   76    HB1  ALA  13           HB1      ALA  13  44.343  -7.693  -5.411
   77    HB2  ALA  13           HB2      ALA  13  44.736  -8.737  -6.777
   78    HB3  ALA  13           HB3      ALA  13  43.921  -9.404  -5.362
   79    H    ASP  14           HN       ASP  14  42.650  -9.059  -9.024
   80    HA   ASP  14           HA       ASP  14  43.990  -7.007 -10.369
   81    HB2  ASP  14           HB2      ASP  14  43.163  -9.414 -11.127
   82    HB3  ASP  14           HB1      ASP  14  41.812  -8.485 -11.775
   83    H    ASN  15           HN       ASN  15  40.749  -7.176  -9.185
   84    HA   ASN  15           HA       ASN  15  39.355  -5.452 -10.839
   85    HB2  ASN  15           HB2      ASN  15  39.122  -6.397  -8.100
   86    HB3  ASN  15           HB1      ASN  15  38.544  -4.741  -8.271
   87   HD21  ASN  15          HD21      ASN  15  36.441  -4.523  -9.059
   88   HD22  ASN  15          HD22      ASN  15  35.587  -5.737  -9.883
   89    H    GLN  16           HN       GLN  16  41.746  -4.710  -8.368
   90    HA   GLN  16           HA       GLN  16  41.400  -1.829  -8.868
   91    HB2  GLN  16           HB2      GLN  16  43.142  -3.148  -6.779
   92    HB3  GLN  16           HB1      GLN  16  42.633  -1.460  -6.846
   93    HG2  GLN  16           HG2      GLN  16  40.209  -2.569  -6.856
   94    HG3  GLN  16           HG1      GLN  16  41.070  -3.882  -6.056
   95   HE21  GLN  16          HE21      GLN  16  43.012  -1.700  -4.959
   96   HE22  GLN  16          HE22      GLN  16  42.162  -1.059  -3.637
   97    H    SER  17           HN       SER  17  42.521  -3.332 -10.951
   98    HA   SER  17           HA       SER  17  45.405  -2.752 -10.804
   99    HB2  SER  17           HB2      SER  17  44.520  -5.039 -11.537
  100    HB3  SER  17           HB1      SER  17  43.984  -4.237 -13.012
  101    HG   SER  17           HG       SER  17  46.201  -5.214 -12.917
  102    H    GLU  18           HN       GLU  18  46.093  -2.354 -13.360
  103    HA   GLU  18           HA       GLU  18  45.491   0.341 -13.837
  104    HB2  GLU  18           HB2      GLU  18  46.453  -0.164 -16.156
  105    HB3  GLU  18           HB1      GLU  18  47.497  -0.497 -14.774
  106    HG2  GLU  18           HG2      GLU  18  45.754  -2.748 -15.508
  107    HG3  GLU  18           HG1      GLU  18  46.904  -2.303 -16.766
  108    H    CYS  19           HN       CYS  19  43.128   0.293 -13.655
  109    HA   CYS  19           HA       CYS  19  41.911  -0.001 -16.299
  110    HB2  CYS  19           HB2      CYS  19  40.835  -1.361 -13.817
  111    HB3  CYS  19           HB1      CYS  19  39.954  -1.204 -15.337
  112    HG   CYS  19           HG       CYS  19  41.445  -2.915 -16.417
  113    H    GLU  20           HN       GLU  20  42.215   2.381 -15.866
  114    HA   GLU  20           HA       GLU  20  41.223   4.426 -15.527
  115    HB2  GLU  20           HB2      GLU  20  38.739   3.080 -14.513
  116    HB3  GLU  20           HB1      GLU  20  38.897   4.554 -15.470
  117    HG2  GLU  20           HG2      GLU  20  40.011   2.809 -17.192
  118    HG3  GLU  20           HG1      GLU  20  38.917   1.712 -16.351
  119    H    TYR  21           HN       TYR  21  42.684   3.005 -13.421
  120    HA   TYR  21           HA       TYR  21  41.571   4.448 -11.094
  121    HB2  TYR  21           HB2      TYR  21  42.864   1.711 -11.038
  122    HB3  TYR  21           HB1      TYR  21  42.291   2.615  -9.637
  123    HD1  TYR  21           HD1      TYR  21  39.771   3.518  -9.905
  124    HD2  TYR  21           HD2      TYR  21  41.420   0.109 -11.934
  125    HE1  TYR  21           HE1      TYR  21  37.487   2.615 -10.245
  126    HE2  TYR  21           HE2      TYR  21  39.137  -0.793 -12.273
  127    HH   TYR  21           HH       TYR  21  36.827  -0.479 -10.987
  128    H    THR  22           HN       THR  22  43.436   5.577 -12.775
  129    HA   THR  22           HA       THR  22  45.556   6.174 -10.974
  130    HB   THR  22           HB       THR  22  46.789   4.316 -11.516
  131    HG1  THR  22           HG1      THR  22  47.846   5.029 -13.742
  132   HG21  THR  22          HG21      THR  22  45.368   3.065 -12.870
  133   HG22  THR  22          HG22      THR  22  46.672   3.442 -13.996
  134   HG23  THR  22          HG23      THR  22  45.172   4.369 -14.041
  135    H    ASP  23           HN       ASP  23  44.667   6.072 -14.419
  136    HA   ASP  23           HA       ASP  23  46.039   8.514 -15.046
  137    HB2  ASP  23           HB2      ASP  23  44.016   6.833 -16.527
  138    HB3  ASP  23           HB1      ASP  23  44.674   8.329 -17.188
  139    H    TRP  24           HN       TRP  24  43.724   8.270 -12.963
  140    HA   TRP  24           HA       TRP  24  42.425  10.779 -13.791
  141    HB2  TRP  24           HB2      TRP  24  40.261  10.011 -13.423
  142    HB3  TRP  24           HB1      TRP  24  41.014   8.602 -14.168
  143    HD1  TRP  24           HD1      TRP  24  41.701   6.572 -12.560
  144    HE1  TRP  24           HE1      TRP  24  40.815   5.864 -10.244
  145    HE3  TRP  24           HE3      TRP  24  39.303  10.864 -11.182
  146    HZ2  TRP  24           HZ2      TRP  24  39.290   6.971  -8.094
  147    HZ3  TRP  24           HZ3      TRP  24  38.143  11.010  -8.997
  148    HH2  TRP  24           HH2      TRP  24  38.133   9.070  -7.453
  149    H    LYS  25           HN       LYS  25  44.349   9.356 -11.645
  150    HA   LYS  25           HA       LYS  25  43.355   9.727  -9.096
  151    HB2  LYS  25           HB2      LYS  25  45.878   9.270 -10.245
  152    HB3  LYS  25           HB1      LYS  25  46.070  10.708  -9.242
  153    HG2  LYS  25           HG2      LYS  25  46.482   8.779  -7.844
  154    HG3  LYS  25           HG1      LYS  25  44.926   9.463  -7.372
  155    HD2  LYS  25           HD2      LYS  25  43.985   7.455  -7.755
  156    HD3  LYS  25           HD1      LYS  25  44.375   7.645  -9.465
  157    HE2  LYS  25           HE2      LYS  25  45.359   5.567  -8.698
  158    HE3  LYS  25           HE1      LYS  25  46.663   6.722  -8.976
  159    HZ1  LYS  25           HZ1      LYS  25  46.943   5.580  -6.871
  160    HZ2  LYS  25           HZ2      LYS  25  45.415   6.109  -6.351
  161    HZ3  LYS  25           HZ3      LYS  25  46.661   7.233  -6.613
  162    H    SER  26           HN       SER  26  42.611  11.426  -8.008
  163    HA   SER  26           HA       SER  26  42.500  14.029  -9.115
  164    HB2  SER  26           HB2      SER  26  42.096  14.348  -6.389
  165    HB3  SER  26           HB1      SER  26  40.850  14.013  -7.588
  166    HG   SER  26           HG       SER  26  42.266  11.800  -6.813
  167    H    SER  27           HN       SER  27  44.202  12.956  -6.162
  168    HA   SER  27           HA       SER  27  46.291  13.534  -5.358
  169    HB2  SER  27           HB2      SER  27  46.713  13.776  -7.993
  170    HB3  SER  27           HB1      SER  27  46.831  15.475  -7.545
  171    HG   SER  27           HG       SER  27  48.493  15.002  -6.193
  172    H    GLY  28           HN       GLY  28  43.696  15.509  -5.917
  173    HA2  GLY  28           HA2      GLY  28  43.819  17.094  -3.732
  174    HA3  GLY  28           HA1      GLY  28  44.800  17.985  -4.891
  175    H    ALA  29           HN       ALA  29  41.988  16.012  -5.677
  176    HA   ALA  29           HA       ALA  29  40.574  18.464  -6.543
  177    HB1  ALA  29           HB1      ALA  29  41.340  16.260  -8.071
  178    HB2  ALA  29           HB2      ALA  29  40.170  17.497  -8.529
  179    HB3  ALA  29           HB3      ALA  29  39.622  16.006  -7.762
  180    H    LEU  30           HN       LEU  30  39.915  15.080  -5.606
  181    HA   LEU  30           HA       LEU  30  37.402  15.987  -4.359
  182    HB2  LEU  30           HB2      LEU  30  36.674  13.682  -4.493
  183    HB3  LEU  30           HB1      LEU  30  37.280  14.176  -6.073
  184    HG   LEU  30           HG       LEU  30  39.558  13.241  -4.817
  185   HD11  LEU  30          HD11      LEU  30  38.920  11.019  -3.923
  186   HD12  LEU  30          HD12      LEU  30  37.218  11.449  -4.096
  187   HD13  LEU  30          HD13      LEU  30  38.240  12.329  -2.958
  188   HD21  LEU  30          HD21      LEU  30  38.870  12.819  -7.144
  189   HD22  LEU  30          HD22      LEU  30  37.604  11.729  -6.579
  190   HD23  LEU  30          HD23      LEU  30  39.301  11.308  -6.343
  191    H    ILE  31           HN       ILE  31  40.550  15.255  -3.566
  192    HA   ILE  31           HA       ILE  31  40.179  13.759  -1.172
  193    HB   ILE  31           HB       ILE  31  42.525  15.562  -1.362
  194   HG12  ILE  31          HG12      ILE  31  41.767  13.531  -3.458
  195   HG13  ILE  31          HG11      ILE  31  42.468  15.136  -3.677
  196   HG21  ILE  31          HG21      ILE  31  42.036  13.575   0.250
  197   HG22  ILE  31          HG22      ILE  31  43.641  13.699  -0.469
  198   HG23  ILE  31          HG23      ILE  31  42.466  12.561  -1.128
  199   HD11  ILE  31          HD11      ILE  31  44.295  13.713  -4.063
  200   HD12  ILE  31          HD12      ILE  31  43.815  12.596  -2.786
  201   HD13  ILE  31          HD13      ILE  31  44.502  14.167  -2.371
  202    HA   PRO  32           HA       PRO  32  40.175  17.965   1.002
  203    HB2  PRO  32           HB2      PRO  32  39.901  20.243  -0.463
  204    HB3  PRO  32           HB1      PRO  32  41.469  19.473  -0.163
  205    HG2  PRO  32           HG2      PRO  32  39.883  19.588  -2.625
  206    HG3  PRO  32           HG1      PRO  32  41.615  19.309  -2.407
  207    HD2  PRO  32           HD2      PRO  32  39.575  17.349  -2.904
  208    HD3  PRO  32           HD1      PRO  32  41.309  17.069  -2.643
  209    H    ALA  33           HN       ALA  33  37.964  16.699  -0.979
  210    HA   ALA  33           HA       ALA  33  35.769  18.488  -0.125
  211    HB1  ALA  33           HB1      ALA  33  35.915  16.548  -2.445
  212    HB2  ALA  33           HB2      ALA  33  35.930  18.308  -2.548
  213    HB3  ALA  33           HB3      ALA  33  34.482  17.471  -1.991
  214    H    ILE  34           HN       ILE  34  37.223  15.478   0.360
  215    HA   ILE  34           HA       ILE  34  34.794  14.463   1.714
  216    HB   ILE  34           HB       ILE  34  36.886  12.872   0.213
  217   HG12  ILE  34          HG12      ILE  34  33.925  12.911  -0.325
  218   HG13  ILE  34          HG11      ILE  34  34.953  14.181  -0.989
  219   HG21  ILE  34          HG21      ILE  34  34.584  12.087   2.002
  220   HG22  ILE  34          HG22      ILE  34  36.259  11.537   2.069
  221   HG23  ILE  34          HG23      ILE  34  35.203  10.993   0.765
  222   HD11  ILE  34          HD11      ILE  34  36.002  12.760  -2.446
  223   HD12  ILE  34          HD12      ILE  34  34.506  11.845  -2.271
  224   HD13  ILE  34          HD13      ILE  34  35.929  11.395  -1.332
  225    H    TYR  35           HN       TYR  35  38.290  13.743   1.538
  226    HA   TYR  35           HA       TYR  35  38.518  12.814   4.180
  227    HB2  TYR  35           HB2      TYR  35  40.432  12.222   3.135
  228    HB3  TYR  35           HB1      TYR  35  40.344  13.577   2.009
  229    HD1  TYR  35           HD1      TYR  35  41.156  15.834   2.693
  230    HD2  TYR  35           HD2      TYR  35  41.686  12.373   5.181
  231    HE1  TYR  35           HE1      TYR  35  42.869  17.046   4.015
  232    HE2  TYR  35           HE2      TYR  35  43.398  13.585   6.503
  233    HH   TYR  35           HH       TYR  35  44.349  16.918   5.660
  234    H    MET  36           HN       MET  36  37.989  15.948   3.027
  235    HA   MET  36           HA       MET  36  39.184  17.209   5.402
  236    HB2  MET  36           HB2      MET  36  39.715  18.279   3.282
  237    HB3  MET  36           HB1      MET  36  38.001  18.411   2.887
  238    HG2  MET  36           HG2      MET  36  37.627  20.088   4.450
  239    HG3  MET  36           HG1      MET  36  38.975  19.580   5.469
  240    HE1  MET  36           HE1      MET  36  37.838  22.440   3.657
  241    HE2  MET  36           HE2      MET  36  37.740  21.286   2.329
  242    HE3  MET  36           HE3      MET  36  38.838  22.660   2.214
  243    H    LEU  37           HN       LEU  37  36.098  16.967   3.649
  244    HA   LEU  37           HA       LEU  37  34.608  18.418   5.614
  245    HB2  LEU  37           HB2      LEU  37  33.492  16.443   3.621
  246    HB3  LEU  37           HB1      LEU  37  32.677  17.828   4.347
  247    HG   LEU  37           HG       LEU  37  35.007  17.920   2.409
  248   HD11  LEU  37          HD11      LEU  37  32.493  17.498   1.708
  249   HD12  LEU  37          HD12      LEU  37  33.484  18.645   0.806
  250   HD13  LEU  37          HD13      LEU  37  32.338  19.229   2.012
  251   HD21  LEU  37          HD21      LEU  37  35.385  19.750   3.843
  252   HD22  LEU  37          HD22      LEU  37  33.662  20.020   4.102
  253   HD23  LEU  37          HD23      LEU  37  34.399  20.454   2.561
  254    H    VAL  38           HN       VAL  38  36.231  15.801   6.195
  255    HA   VAL  38           HA       VAL  38  34.147  14.621   7.924
  256    HB   VAL  38           HB       VAL  38  36.239  13.109   6.342
  257   HG11  VAL  38          HG11      VAL  38  34.545  12.435   8.678
  258   HG12  VAL  38          HG12      VAL  38  36.061  11.713   8.141
  259   HG13  VAL  38          HG13      VAL  38  34.542  11.248   7.374
  260   HG21  VAL  38          HG21      VAL  38  33.214  12.976   6.196
  261   HG22  VAL  38          HG22      VAL  38  34.370  12.191   5.121
  262   HG23  VAL  38          HG23      VAL  38  34.196  13.946   5.098
  263    H    PHE  39           HN       PHE  39  37.252  15.938   7.562
  264    HA   PHE  39           HA       PHE  39  38.654  14.654   9.655
  265    HB2  PHE  39           HB2      PHE  39  40.092  15.900   8.364
  266    HB3  PHE  39           HB1      PHE  39  38.934  17.213   8.148
  267    HD1  PHE  39           HD1      PHE  39  41.017  15.544  10.777
  268    HD2  PHE  39           HD2      PHE  39  39.118  19.159   9.445
  269    HE1  PHE  39           HE1      PHE  39  42.081  16.789  12.639
  270    HE2  PHE  39           HE2      PHE  39  40.182  20.404  11.307
  271    HZ   PHE  39           HZ       PHE  39  41.663  19.219  12.904
  272    H    LEU  40           HN       LEU  40  36.268  17.195   9.590
  273    HA   LEU  40           HA       LEU  40  36.590  17.618  12.494
  274    HB2  LEU  40           HB2      LEU  40  35.148  19.638  12.083
  275    HB3  LEU  40           HB1      LEU  40  36.709  19.684  11.261
  276    HG   LEU  40           HG       LEU  40  34.713  18.358   9.621
  277   HD11  LEU  40          HD11      LEU  40  33.095  19.776  10.749
  278   HD12  LEU  40          HD12      LEU  40  33.396  20.445   9.146
  279   HD13  LEU  40          HD13      LEU  40  34.140  21.184  10.564
  280   HD21  LEU  40          HD21      LEU  40  35.504  20.044   7.989
  281   HD22  LEU  40          HD22      LEU  40  36.859  19.278   8.819
  282   HD23  LEU  40          HD23      LEU  40  36.342  20.899   9.284
  283    H    LEU  41           HN       LEU  41  34.799  15.886  10.294
  284    HA   LEU  41           HA       LEU  41  32.597  15.571  12.229
  285    HB2  LEU  41           HB2      LEU  41  32.376  16.050   9.260
  286    HB3  LEU  41           HB1      LEU  41  31.086  15.274  10.180
  287    HG   LEU  41           HG       LEU  41  32.142  17.735  11.414
  288   HD11  LEU  41          HD11      LEU  41  30.939  19.223   9.841
  289   HD12  LEU  41          HD12      LEU  41  30.611  17.841   8.796
  290   HD13  LEU  41          HD13      LEU  41  32.271  18.386   9.044
  291   HD21  LEU  41          HD21      LEU  41  29.310  17.019  10.632
  292   HD22  LEU  41          HD22      LEU  41  29.844  18.064  11.948
  293   HD23  LEU  41          HD23      LEU  41  30.091  16.321  12.052
  294    H    GLY  42           HN       GLY  42  34.066  13.721  12.761
  295    HA2  GLY  42           HA2      GLY  42  33.081  11.282  12.114
  296    HA3  GLY  42           HA1      GLY  42  34.263  11.566  10.840
  297    H    THR  43           HN       THR  43  35.786  13.239  12.935
  298    HA   THR  43           HA       THR  43  36.876  11.034  14.559
  299    HB   THR  43           HB       THR  43  38.301  11.232  12.570
  300    HG1  THR  43           HG1      THR  43  39.968  11.015  13.815
  301   HG21  THR  43          HG21      THR  43  38.970  14.039  13.431
  302   HG22  THR  43          HG22      THR  43  37.652  13.729  12.302
  303   HG23  THR  43          HG23      THR  43  39.298  13.252  11.888
  304    H    THR  44           HN       THR  44  36.941  14.535  13.916
  305    HA   THR  44           HA       THR  44  38.136  15.479  16.199
  306    HB   THR  44           HB       THR  44  35.886  16.549  14.521
  307    HG1  THR  44           HG1      THR  44  38.513  16.597  14.480
  308   HG21  THR  44          HG21      THR  44  36.337  18.714  15.895
  309   HG22  THR  44          HG22      THR  44  36.929  17.611  17.137
  310   HG23  THR  44          HG23      THR  44  35.260  17.495  16.578
  311    H    GLY  45           HN       GLY  45  34.915  14.143  15.839
  312    HA2  GLY  45           HA2      GLY  45  34.192  13.017  18.003
  313    HA3  GLY  45           HA1      GLY  45  34.394  14.615  18.712
  314    H    ASN  46           HN       ASN  46  33.195  14.231  15.462
  315    HA   ASN  46           HA       ASN  46  30.425  14.636  16.354
  316    HB2  ASN  46           HB2      ASN  46  31.648  16.857  15.892
  317    HB3  ASN  46           HB1      ASN  46  31.600  16.377  14.197
  318   HD21  ASN  46          HD21      ASN  46  29.854  18.042  16.555
  319   HD22  ASN  46          HD22      ASN  46  28.322  17.980  15.826
  320    H    GLY  47           HN       GLY  47  30.455  12.358  15.589
  321    HA2  GLY  47           HA2      GLY  47  29.171  12.028  13.156
  322    HA3  GLY  47           HA1      GLY  47  30.878  11.732  12.841
  323    H    LEU  48           HN       LEU  48  31.562  10.577  15.332
  324    HA   LEU  48           HA       LEU  48  30.760   7.880  14.873
  325    HB2  LEU  48           HB2      LEU  48  32.579   9.324  16.684
  326    HB3  LEU  48           HB1      LEU  48  31.888   7.858  17.371
  327    HG   LEU  48           HG       LEU  48  34.051   7.494  16.135
  328   HD11  LEU  48          HD11      LEU  48  31.617   6.009  15.988
  329   HD12  LEU  48          HD12      LEU  48  33.269   5.402  15.882
  330   HD13  LEU  48          HD13      LEU  48  32.413   5.889  14.420
  331   HD21  LEU  48          HD21      LEU  48  33.014   9.204  14.284
  332   HD22  LEU  48          HD22      LEU  48  32.656   7.651  13.528
  333   HD23  LEU  48          HD23      LEU  48  34.318   8.067  13.944
  334    H    VAL  49           HN       VAL  49  30.251   6.671  17.179
  335    HA   VAL  49           HA       VAL  49  28.362   6.014  18.336
  336    HB   VAL  49           HB       VAL  49  29.613   7.326  19.982
  337   HG11  VAL  49          HG11      VAL  49  29.786   9.486  18.953
  338   HG12  VAL  49          HG12      VAL  49  28.833   9.701  20.417
  339   HG13  VAL  49          HG13      VAL  49  28.034   9.652  18.850
  340   HG21  VAL  49          HG21      VAL  49  26.987   6.570  20.142
  341   HG22  VAL  49          HG22      VAL  49  26.881   8.278  20.570
  342   HG23  VAL  49          HG23      VAL  49  27.924   7.200  21.498
  343    H    LEU  50           HN       LEU  50  27.883   7.492  15.764
  344    HA   LEU  50           HA       LEU  50  25.036   8.060  16.250
  345    HB2  LEU  50           HB2      LEU  50  27.050   9.866  14.939
  346    HB3  LEU  50           HB1      LEU  50  25.360   9.911  14.438
  347    HG   LEU  50           HG       LEU  50  25.848   9.954  17.366
  348   HD11  LEU  50          HD11      LEU  50  27.578  11.483  16.836
  349   HD12  LEU  50          HD12      LEU  50  26.174  12.504  17.149
  350   HD13  LEU  50          HD13      LEU  50  26.670  12.171  15.490
  351   HD21  LEU  50          HD21      LEU  50  24.113  11.682  15.580
  352   HD22  LEU  50          HD22      LEU  50  23.938  11.427  17.316
  353   HD23  LEU  50          HD23      LEU  50  23.604  10.109  16.194
  354    H    TRP  51           HN       TRP  51  27.642   7.249  14.025
  355    HA   TRP  51           HA       TRP  51  25.682   6.324  12.031
  356    HB2  TRP  51           HB2      TRP  51  27.162   7.289  10.637
  357    HB3  TRP  51           HB1      TRP  51  28.376   7.427  11.909
  358    HD1  TRP  51           HD1      TRP  51  26.876   4.614   9.704
  359    HE1  TRP  51           HE1      TRP  51  28.780   2.993   9.077
  360    HE3  TRP  51           HE3      TRP  51  30.746   6.771  12.243
  361    HZ2  TRP  51           HZ2      TRP  51  31.574   2.655   9.585
  362    HZ3  TRP  51           HZ3      TRP  51  33.015   5.780  12.155
  363    HH2  TRP  51           HH2      TRP  51  33.434   3.727  10.830
  364    H    THR  52           HN       THR  52  28.542   5.233  13.838
  365    HA   THR  52           HA       THR  52  28.444   2.544  12.919
  366    HB   THR  52           HB       THR  52  30.354   3.877  14.129
  367    HG1  THR  52           HG1      THR  52  30.274   1.615  13.414
  368   HG21  THR  52          HG21      THR  52  30.454   3.693  16.467
  369   HG22  THR  52          HG22      THR  52  29.216   2.439  16.514
  370   HG23  THR  52          HG23      THR  52  28.766   4.109  16.174
  371    H    VAL  53           HN       VAL  53  26.467   4.280  15.041
  372    HA   VAL  53           HA       VAL  53  25.775   2.120  16.815
  373    HB   VAL  53           HB       VAL  53  24.330   4.719  16.246
  374   HG11  VAL  53          HG11      VAL  53  24.018   2.557  18.330
  375   HG12  VAL  53          HG12      VAL  53  22.778   3.272  17.302
  376   HG13  VAL  53          HG13      VAL  53  23.470   4.206  18.627
  377   HG21  VAL  53          HG21      VAL  53  25.475   5.553  18.223
  378   HG22  VAL  53          HG22      VAL  53  26.685   4.938  17.097
  379   HG23  VAL  53          HG23      VAL  53  26.220   3.979  18.502
  380    H    PHE  54           HN       PHE  54  24.442   3.517  13.856
  381    HA   PHE  54           HA       PHE  54  22.050   1.931  13.891
  382    HB2  PHE  54           HB2      PHE  54  23.408   3.644  11.820
  383    HB3  PHE  54           HB1      PHE  54  21.992   2.671  11.421
  384    HD1  PHE  54           HD2      PHE  54  23.212   5.151  13.952
  385    HD2  PHE  54           HD1      PHE  54  19.848   3.524  11.834
  386    HE1  PHE  54           HE2      PHE  54  21.743   6.879  14.956
  387    HE2  PHE  54           HE1      PHE  54  18.380   5.251  12.837
  388    HZ   PHE  54           HZ       PHE  54  19.327   6.929  14.399
  389    H    ARG  55           HN       ARG  55  24.838   0.667  14.005
  390    HA   ARG  55           HA       ARG  55  24.339  -1.344  11.897
  391    HB2  ARG  55           HB2      ARG  55  27.003  -0.186  12.745
  392    HB3  ARG  55           HB1      ARG  55  26.822  -1.609  11.719
  393    HG2  ARG  55           HG2      ARG  55  25.837  -0.366   9.967
  394    HG3  ARG  55           HG1      ARG  55  25.469   0.996  11.024
  395    HD2  ARG  55           HD2      ARG  55  27.622   0.922   9.367
  396    HD3  ARG  55           HD1      ARG  55  27.565   1.868  10.852
  397    HE   ARG  55           HE       ARG  55  29.092   0.389  11.788
  398   HH11  ARG  55          HH21      ARG  55  27.650  -0.943   8.938
  399   HH12  ARG  55          HH22      ARG  55  28.693  -2.324   8.887
  400   HH21  ARG  55          HH11      ARG  55  30.464  -1.421  11.729
  401   HH22  ARG  55          HH12      ARG  55  30.286  -2.595  10.467
  402    H    LYS  56           HN       LYS  56  25.093  -0.580  15.162
  403    HA   LYS  56           HA       LYS  56  25.609  -3.421  15.787
  404    HB2  LYS  56           HB2      LYS  56  26.486  -2.588  17.939
  405    HB3  LYS  56           HB1      LYS  56  27.342  -1.878  16.570
  406    HG2  LYS  56           HG2      LYS  56  26.877   0.133  17.485
  407    HG3  LYS  56           HG1      LYS  56  25.211  -0.140  16.979
  408    HD2  LYS  56           HD2      LYS  56  25.110   0.344  19.317
  409    HD3  LYS  56           HD1      LYS  56  24.886  -1.399  19.174
  410    HE2  LYS  56           HE2      LYS  56  27.652  -1.097  19.323
  411    HE3  LYS  56           HE1      LYS  56  27.036   0.089  20.473
  412    HZ1  LYS  56           HZ1      LYS  56  25.735  -2.497  20.542
  413    HZ2  LYS  56           HZ2      LYS  56  26.239  -1.497  21.819
  414    HZ3  LYS  56           HZ3      LYS  56  27.360  -2.501  21.029
  415    H    LYS  57           HN       LYS  57  23.529  -0.673  16.468
  416    HA   LYS  57           HA       LYS  57  21.406  -0.583  17.349
  417    HB2  LYS  57           HB2      LYS  57  21.520  -3.091  16.242
  418    HB3  LYS  57           HB1      LYS  57  21.136  -3.452  17.925
  419    HG2  LYS  57           HG2      LYS  57  19.252  -1.851  17.834
  420    HG3  LYS  57           HG1      LYS  57  19.630  -1.510  16.144
  421    HD2  LYS  57           HD2      LYS  57  18.977  -3.645  15.432
  422    HD3  LYS  57           HD1      LYS  57  19.150  -4.340  17.044
  423    HE2  LYS  57           HE2      LYS  57  17.123  -3.473  17.787
  424    HE3  LYS  57           HE1      LYS  57  17.141  -2.156  16.615
  425    HZ1  LYS  57           HZ1      LYS  57  16.774  -5.023  15.932
  426    HZ2  LYS  57           HZ2      LYS  57  16.684  -3.708  14.860
  427    HZ3  LYS  57           HZ3      LYS  57  15.514  -3.896  16.077
  428    H    GLY  58           HN       GLY  58  23.160  -3.245  18.971
  429    HA2  GLY  58           HA2      GLY  58  24.066  -2.374  21.244
  430    HA3  GLY  58           HA1      GLY  58  22.354  -2.119  21.569
  431    H    HIS  59           HN       HIS  59  22.054  -4.639  19.710
  432    HA   HIS  59           HA       HIS  59  23.100  -6.813  21.239
  433    HB2  HIS  59           HB2      HIS  59  20.580  -7.512  21.800
  434    HB3  HIS  59           HB1      HIS  59  21.563  -6.574  22.925
  435    HD2  HIS  59           HD2      HIS  59  20.007  -4.797  19.782
  436    HE1  HIS  59           HE1      HIS  59  18.004  -3.384  23.219
  437    HE2  HIS  59           HE2      HIS  59  18.282  -3.073  20.714
  438    H    HIS  60           HN       HIS  60  19.846  -6.633  19.879
  439    HA   HIS  60           HA       HIS  60  20.469  -7.460  17.256
  440    HB2  HIS  60           HB2      HIS  60  20.412  -9.572  19.290
  441    HB3  HIS  60           HB1      HIS  60  19.326  -9.870  17.933
  442    HD2  HIS  60           HD2      HIS  60  20.950  -9.103  15.352
  443    HE1  HIS  60           HE1      HIS  60  24.312 -11.041  17.015
  444    HE2  HIS  60           HE2      HIS  60  23.302 -10.130  14.871
  445    H    HIS  61           HN       HIS  61  18.058  -8.651  19.602
  446    HA   HIS  61           HA       HIS  61  15.995  -6.886  18.787
  447    HB2  HIS  61           HB2      HIS  61  16.454  -9.107  17.040
  448    HB3  HIS  61           HB1      HIS  61  14.907  -9.337  17.856
  449    HD2  HIS  61           HD2      HIS  61  13.661  -6.381  17.895
  450    HE1  HIS  61           HE1      HIS  61  14.659  -6.132  13.800
  451    HE2  HIS  61           HE2      HIS  61  13.247  -5.114  15.649
  452    H    HIS  62           HN       HIS  62  17.315  -9.268  20.690
  453    HA   HIS  62           HA       HIS  62  16.636 -10.369  22.589
  454    HB2  HIS  62           HB2      HIS  62  16.083  -7.935  23.128
  455    HB3  HIS  62           HB1      HIS  62  14.412  -8.335  22.729
  456    HD2  HIS  62           HD2      HIS  62  15.617  -7.781  25.922
  457    HE1  HIS  62           HE1      HIS  62  14.421 -11.801  26.406
  458    HE2  HIS  62           HE2      HIS  62  15.046  -9.668  27.635
  459    H    HIS  63           HN       HIS  63  15.968 -12.070  20.965
  460    HA   HIS  63           HA       HIS  63  13.427 -13.116  21.689
  461    HB2  HIS  63           HB2      HIS  63  12.659 -11.384  20.087
  462    HB3  HIS  63           HB1      HIS  63  13.661 -12.123  18.838
  463    HD2  HIS  63           HD2      HIS  63  12.263 -14.010  17.397
  464    HE1  HIS  63           HE1      HIS  63   9.351 -14.966  20.301
  465    HE2  HIS  63           HE2      HIS  63  10.134 -15.426  17.929
  466    H    HIS  64           HN       HIS  64  16.055 -14.068  21.745
  467    HA   HIS  64           HA       HIS  64  17.432 -15.782  21.022
  468    HB2  HIS  64           HB2      HIS  64  14.981 -16.734  21.820
  469    HB3  HIS  64           HB1      HIS  64  15.169 -17.476  20.232
  470    HD2  HIS  64           HD2      HIS  64  18.067 -18.581  20.063
  471    HE1  HIS  64           HE1      HIS  64  17.798 -19.804  24.094
  472    HE2  HIS  64           HE2      HIS  64  19.101 -20.083  21.932
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  75.458   3.813 -35.366
    2    H2   MET   1           HT2      MET   1  77.012   3.944 -36.037
    3    H3   MET   1           HT3      MET   1  75.910   2.808 -36.655
    4    HA   MET   1           HA       MET   1  75.351   5.712 -36.699
    5    HB2  MET   1           HB2      MET   1  76.237   5.797 -38.953
    6    HB3  MET   1           HB1      MET   1  77.503   5.177 -37.892
    7    HG2  MET   1           HG2      MET   1  76.468   2.834 -38.536
    8    HG3  MET   1           HG1      MET   1  75.867   3.720 -39.938
    9    HE1  MET   1           HE1      MET   1  78.596   2.077 -41.765
   10    HE2  MET   1           HE2      MET   1  77.458   3.356 -42.181
   11    HE3  MET   1           HE3      MET   1  76.933   2.018 -41.163
   12    H    GLU   2           HN       GLU   2  74.419   5.508 -39.380
   13    HA   GLU   2           HA       GLU   2  72.403   5.148 -40.438
   14    HB2  GLU   2           HB2      GLU   2  73.706   2.818 -40.396
   15    HB3  GLU   2           HB1      GLU   2  72.325   2.352 -39.403
   16    HG2  GLU   2           HG2      GLU   2  70.797   3.187 -41.175
   17    HG3  GLU   2           HG1      GLU   2  72.196   3.573 -42.176
   18    H    GLU   3           HN       GLU   3  72.177   6.277 -37.895
   19    HA   GLU   3           HA       GLU   3  69.447   5.741 -37.300
   20    HB2  GLU   3           HB2      GLU   3  69.915   3.933 -35.970
   21    HB3  GLU   3           HB1      GLU   3  71.563   4.465 -35.647
   22    HG2  GLU   3           HG2      GLU   3  70.851   6.017 -33.989
   23    HG3  GLU   3           HG1      GLU   3  69.164   5.905 -34.499
   24    H    GLY   4           HN       GLY   4  68.592   7.603 -36.622
   25    HA2  GLY   4           HA2      GLY   4  69.248   9.292 -34.641
   26    HA3  GLY   4           HA1      GLY   4  70.353   9.806 -35.912
   27    H    GLY   5           HN       GLY   5  67.088   8.565 -36.404
   28    HA2  GLY   5           HA2      GLY   5  65.930  11.186 -36.783
   29    HA3  GLY   5           HA1      GLY   5  66.205  10.312 -38.286
   30    H    ASP   6           HN       ASP   6  64.317   9.517 -38.967
   31    HA   ASP   6           HA       ASP   6  62.189   8.616 -38.921
   32    HB2  ASP   6           HB2      ASP   6  64.008   6.732 -38.294
   33    HB3  ASP   6           HB1      ASP   6  63.025   6.682 -36.832
   34    H    PHE   7           HN       PHE   7  62.909  10.670 -36.798
   35    HA   PHE   7           HA       PHE   7  62.053  11.522 -34.820
   36    HB2  PHE   7           HB2      PHE   7  59.476  10.402 -35.934
   37    HB3  PHE   7           HB1      PHE   7  59.675  11.813 -34.896
   38    HD1  PHE   7           HD1      PHE   7  61.049  13.788 -35.789
   39    HD2  PHE   7           HD2      PHE   7  59.599  10.607 -38.285
   40    HE1  PHE   7           HE1      PHE   7  61.350  15.221 -37.790
   41    HE2  PHE   7           HE2      PHE   7  59.901  12.040 -40.286
   42    HZ   PHE   7           HZ       PHE   7  60.776  14.346 -40.039
   43    H    ASP   8           HN       ASP   8  63.261   9.458 -33.920
   44    HA   ASP   8           HA       ASP   8  61.815   7.257 -32.956
   45    HB2  ASP   8           HB2      ASP   8  64.243   7.267 -32.977
   46    HB3  ASP   8           HB1      ASP   8  64.277   8.602 -31.825
   47    H    ASN   9           HN       ASN   9  60.514   6.940 -31.240
   48    HA   ASN   9           HA       ASN   9  60.456   8.821 -29.025
   49    HB2  ASN   9           HB2      ASN   9  58.961  10.002 -30.457
   50    HB3  ASN   9           HB1      ASN   9  58.147   8.517 -30.947
   51   HD21  ASN   9          HD21      ASN   9  57.100   7.274 -28.995
   52   HD22  ASN   9          HD22      ASN   9  56.344   8.235 -27.819
   53    H    TYR  10           HN       TYR  10  59.123   5.974 -30.626
   54    HA   TYR  10           HA       TYR  10  57.564   4.802 -28.734
   55    HB2  TYR  10           HB2      TYR  10  59.730   3.292 -30.199
   56    HB3  TYR  10           HB1      TYR  10  58.178   2.668 -29.633
   57    HD1  TYR  10           HD1      TYR  10  56.064   3.376 -30.721
   58    HD2  TYR  10           HD2      TYR  10  59.899   4.594 -32.225
   59    HE1  TYR  10           HE1      TYR  10  55.010   4.047 -32.863
   60    HE2  TYR  10           HE2      TYR  10  58.844   5.266 -34.367
   61    HH   TYR  10           HH       TYR  10  56.709   5.873 -35.253
   62    H    TYR  11           HN       TYR  11  60.985   5.365 -28.557
   63    HA   TYR  11           HA       TYR  11  62.029   3.619 -26.792
   64    HB2  TYR  11           HB2      TYR  11  62.309   6.569 -27.082
   65    HB3  TYR  11           HB1      TYR  11  62.999   5.824 -25.640
   66    HD1  TYR  11           HD1      TYR  11  62.654   4.520 -29.133
   67    HD2  TYR  11           HD2      TYR  11  65.318   5.703 -25.978
   68    HE1  TYR  11           HE1      TYR  11  64.587   3.725 -30.467
   69    HE2  TYR  11           HE2      TYR  11  67.251   4.907 -27.312
   70    HH   TYR  11           HH       TYR  11  66.780   3.315 -30.460
   71    H    GLY  12           HN       GLY  12  60.589   6.615 -25.499
   72    HA2  GLY  12           HA2      GLY  12  60.312   5.776 -22.870
   73    HA3  GLY  12           HA1      GLY  12  59.282   6.985 -23.635
   74    H    ALA  13           HN       ALA  13  58.450   4.958 -25.672
   75    HA   ALA  13           HA       ALA  13  56.491   3.759 -25.963
   76    HB1  ALA  13           HB1      ALA  13  57.686   1.821 -25.705
   77    HB2  ALA  13           HB2      ALA  13  56.621   1.663 -24.307
   78    HB3  ALA  13           HB3      ALA  13  58.267   2.265 -24.100
   79    H    ASP  14           HN       ASP  14  56.663   2.768 -22.618
   80    HA   ASP  14           HA       ASP  14  53.996   3.220 -22.023
   81    HB2  ASP  14           HB2      ASP  14  56.459   3.058 -20.304
   82    HB3  ASP  14           HB1      ASP  14  54.877   3.366 -19.589
   83    H    ASN  15           HN       ASN  15  56.626   5.477 -22.163
   84    HA   ASN  15           HA       ASN  15  55.897   7.542 -20.528
   85    HB2  ASN  15           HB2      ASN  15  57.869   7.739 -21.875
   86    HB3  ASN  15           HB1      ASN  15  56.932   7.647 -23.365
   87   HD21  ASN  15          HD21      ASN  15  56.757   9.677 -24.309
   88   HD22  ASN  15          HD22      ASN  15  56.582  11.136 -23.459
   89    H    GLN  16           HN       GLN  16  54.367   6.559 -23.538
   90    HA   GLN  16           HA       GLN  16  52.439   8.773 -23.304
   91    HB2  GLN  16           HB2      GLN  16  52.488   6.825 -25.584
   92    HB3  GLN  16           HB1      GLN  16  51.987   8.516 -25.572
   93    HG2  GLN  16           HG2      GLN  16  54.551   8.854 -24.867
   94    HG3  GLN  16           HG1      GLN  16  54.722   7.351 -25.770
   95   HE21  GLN  16          HE21      GLN  16  54.831   7.544 -28.023
   96   HE22  GLN  16          HE22      GLN  16  54.421   8.946 -28.887
   97    H    SER  17           HN       SER  17  52.256   6.750 -21.376
   98    HA   SER  17           HA       SER  17  49.628   5.620 -22.069
   99    HB2  SER  17           HB2      SER  17  51.919   4.081 -20.831
  100    HB3  SER  17           HB1      SER  17  50.260   3.498 -20.927
  101    HG   SER  17           HG       SER  17  50.762   2.872 -22.861
  102    H    GLU  18           HN       GLU  18  49.063   4.309 -19.757
  103    HA   GLU  18           HA       GLU  18  48.073   6.168 -18.035
  104    HB2  GLU  18           HB2      GLU  18  49.206   3.478 -17.226
  105    HB3  GLU  18           HB1      GLU  18  48.033   4.427 -16.310
  106    HG2  GLU  18           HG2      GLU  18  46.436   4.276 -18.173
  107    HG3  GLU  18           HG1      GLU  18  47.607   3.354 -19.114
  108    H    CYS  19           HN       CYS  19  49.261   7.904 -17.417
  109    HA   CYS  19           HA       CYS  19  51.367   7.443 -15.461
  110    HB2  CYS  19           HB2      CYS  19  52.420   7.564 -17.806
  111    HB3  CYS  19           HB1      CYS  19  51.970   9.269 -17.781
  112    HG   CYS  19           HG       CYS  19  53.936   9.683 -16.347
  113    H    GLU  20           HN       GLU  20  50.139  10.122 -17.482
  114    HA   GLU  20           HA       GLU  20  49.224  11.472 -15.029
  115    HB2  GLU  20           HB2      GLU  20  50.803  12.859 -17.205
  116    HB3  GLU  20           HB1      GLU  20  50.226  13.565 -15.696
  117    HG2  GLU  20           HG2      GLU  20  52.225  11.297 -15.924
  118    HG3  GLU  20           HG1      GLU  20  52.618  12.971 -15.540
  119    H    TYR  21           HN       TYR  21  48.246  10.141 -17.724
  120    HA   TYR  21           HA       TYR  21  46.554  12.348 -18.676
  121    HB2  TYR  21           HB2      TYR  21  47.237   9.627 -19.780
  122    HB3  TYR  21           HB1      TYR  21  45.903  10.583 -20.425
  123    HD1  TYR  21           HD2      TYR  21  49.558  10.379 -20.011
  124    HD2  TYR  21           HD1      TYR  21  46.301  12.678 -21.612
  125    HE1  TYR  21           HE2      TYR  21  51.161  11.718 -21.349
  126    HE2  TYR  21           HE1      TYR  21  47.905  14.016 -22.951
  127    HH   TYR  21           HH       TYR  21  50.998  14.283 -22.383
  128    H    THR  22           HN       THR  22  46.337  10.540 -16.137
  129    HA   THR  22           HA       THR  22  43.495  10.551 -16.015
  130    HB   THR  22           HB       THR  22  43.747   8.571 -17.462
  131    HG1  THR  22           HG1      THR  22  42.537   7.215 -16.153
  132   HG21  THR  22          HG21      THR  22  45.192   6.850 -17.026
  133   HG22  THR  22          HG22      THR  22  45.015   7.007 -15.279
  134   HG23  THR  22          HG23      THR  22  46.067   8.114 -16.160
  135    H    ASP  23           HN       ASP  23  46.526   9.230 -14.775
  136    HA   ASP  23           HA       ASP  23  45.534   8.761 -12.125
  137    HB2  ASP  23           HB2      ASP  23  48.304   8.912 -13.312
  138    HB3  ASP  23           HB1      ASP  23  48.027   8.637 -11.593
  139    H    TRP  24           HN       TRP  24  44.749  11.304 -12.842
  140    HA   TRP  24           HA       TRP  24  45.983  12.866 -10.735
  141    HB2  TRP  24           HB2      TRP  24  46.477  14.798 -12.212
  142    HB3  TRP  24           HB1      TRP  24  47.480  13.397 -12.586
  143    HD1  TRP  24           HD1      TRP  24  46.407  11.769 -14.624
  144    HE1  TRP  24           HE1      TRP  24  45.346  12.542 -16.844
  145    HE3  TRP  24           HE3      TRP  24  45.251  16.596 -13.420
  146    HZ2  TRP  24           HZ2      TRP  24  44.164  14.894 -17.961
  147    HZ3  TRP  24           HZ3      TRP  24  44.160  18.079 -15.078
  148    HH2  TRP  24           HH2      TRP  24  43.616  17.233 -17.345
  149    H    LYS  25           HN       LYS  25  43.957  13.331 -13.644
  150    HA   LYS  25           HA       LYS  25  41.974  14.499 -13.894
  151    HB2  LYS  25           HB2      LYS  25  41.462  12.730 -11.497
  152    HB3  LYS  25           HB1      LYS  25  40.193  13.639 -12.320
  153    HG2  LYS  25           HG2      LYS  25  40.164  12.223 -14.093
  154    HG3  LYS  25           HG1      LYS  25  41.925  12.103 -14.138
  155    HD2  LYS  25           HD2      LYS  25  41.880  10.539 -12.238
  156    HD3  LYS  25           HD1      LYS  25  40.122  10.670 -12.163
  157    HE2  LYS  25           HE2      LYS  25  39.887   9.680 -14.354
  158    HE3  LYS  25           HE1      LYS  25  41.630   9.728 -14.616
  159    HZ1  LYS  25           HZ1      LYS  25  41.720   8.312 -12.495
  160    HZ2  LYS  25           HZ2      LYS  25  41.252   7.564 -13.947
  161    HZ3  LYS  25           HZ3      LYS  25  40.080   8.002 -12.797
  162    H    SER  26           HN       SER  26  41.443  14.307 -10.453
  163    HA   SER  26           HA       SER  26  41.377  17.235 -10.328
  164    HB2  SER  26           HB2      SER  26  40.397  15.094  -8.431
  165    HB3  SER  26           HB1      SER  26  40.308  16.821  -8.093
  166    HG   SER  26           HG       SER  26  39.152  15.439 -10.293
  167    H    SER  27           HN       SER  27  42.266  14.853  -7.846
  168    HA   SER  27           HA       SER  27  44.142  14.658  -6.523
  169    HB2  SER  27           HB2      SER  27  45.724  16.699  -7.954
  170    HB3  SER  27           HB1      SER  27  46.158  15.058  -7.483
  171    HG   SER  27           HG       SER  27  45.727  15.692  -9.845
  172    H    GLY  28           HN       GLY  28  42.538  17.559  -7.194
  173    HA2  GLY  28           HA2      GLY  28  43.281  18.617  -4.562
  174    HA3  GLY  28           HA1      GLY  28  43.536  19.660  -5.957
  175    H    ALA  29           HN       ALA  29  40.914  17.557  -6.363
  176    HA   ALA  29           HA       ALA  29  38.982  19.544  -5.352
  177    HB1  ALA  29           HB1      ALA  29  39.590  19.354  -8.015
  178    HB2  ALA  29           HB2      ALA  29  38.048  19.927  -7.377
  179    HB3  ALA  29           HB3      ALA  29  38.224  18.246  -7.880
  180    H    LEU  30           HN       LEU  30  40.053  16.469  -5.221
  181    HA   LEU  30           HA       LEU  30  37.364  15.400  -4.596
  182    HB2  LEU  30           HB2      LEU  30  39.411  14.372  -6.389
  183    HB3  LEU  30           HB1      LEU  30  38.986  13.202  -5.138
  184    HG   LEU  30           HG       LEU  30  36.601  13.461  -5.689
  185   HD11  LEU  30          HD11      LEU  30  37.693  15.695  -7.284
  186   HD12  LEU  30          HD12      LEU  30  36.094  15.500  -6.570
  187   HD13  LEU  30          HD13      LEU  30  36.471  14.730  -8.110
  188   HD21  LEU  30          HD21      LEU  30  38.000  11.781  -6.898
  189   HD22  LEU  30          HD22      LEU  30  38.283  12.972  -8.168
  190   HD23  LEU  30          HD23      LEU  30  36.653  12.366  -7.875
  191    H    ILE  31           HN       ILE  31  40.607  15.945  -3.605
  192    HA   ILE  31           HA       ILE  31  40.445  14.062  -1.379
  193    HB   ILE  31           HB       ILE  31  42.689  15.974  -1.468
  194   HG12  ILE  31          HG12      ILE  31  42.378  15.706  -3.871
  195   HG13  ILE  31          HG11      ILE  31  43.764  14.742  -3.370
  196   HG21  ILE  31          HG21      ILE  31  42.544  12.947  -1.393
  197   HG22  ILE  31          HG22      ILE  31  42.538  13.988   0.030
  198   HG23  ILE  31          HG23      ILE  31  43.954  13.938  -1.020
  199   HD11  ILE  31          HD11      ILE  31  42.761  13.009  -4.416
  200   HD12  ILE  31          HD12      ILE  31  41.230  13.875  -4.544
  201   HD13  ILE  31          HD13      ILE  31  41.621  12.989  -3.072
  202    HA   PRO  32           HA       PRO  32  40.280  18.171   0.970
  203    HB2  PRO  32           HB2      PRO  32  39.896  20.497  -0.384
  204    HB3  PRO  32           HB1      PRO  32  41.498  19.773  -0.152
  205    HG2  PRO  32           HG2      PRO  32  39.838  19.920  -2.571
  206    HG3  PRO  32           HG1      PRO  32  41.590  19.742  -2.408
  207    HD2  PRO  32           HD2      PRO  32  39.681  17.684  -2.963
  208    HD3  PRO  32           HD1      PRO  32  41.427  17.495  -2.705
  209    H    ALA  33           HN       ALA  33  38.078  16.745  -0.757
  210    HA   ALA  33           HA       ALA  33  35.850  18.331   0.345
  211    HB1  ALA  33           HB1      ALA  33  34.753  17.279  -1.935
  212    HB2  ALA  33           HB2      ALA  33  36.379  17.696  -2.477
  213    HB3  ALA  33           HB3      ALA  33  35.338  18.935  -1.774
  214    H    ILE  34           HN       ILE  34  37.463  15.518   0.406
  215    HA   ILE  34           HA       ILE  34  35.058  14.014   1.207
  216    HB   ILE  34           HB       ILE  34  37.322  12.786  -0.377
  217   HG12  ILE  34          HG12      ILE  34  34.567  13.656  -1.313
  218   HG13  ILE  34          HG11      ILE  34  36.086  14.438  -1.752
  219   HG21  ILE  34          HG21      ILE  34  35.961  11.327   1.155
  220   HG22  ILE  34          HG22      ILE  34  35.818  10.890  -0.548
  221   HG23  ILE  34          HG23      ILE  34  34.524  11.792   0.242
  222   HD11  ILE  34          HD11      ILE  34  36.852  12.191  -2.658
  223   HD12  ILE  34          HD12      ILE  34  35.538  12.952  -3.556
  224   HD13  ILE  34          HD13      ILE  34  35.195  11.629  -2.442
  225    H    TYR  35           HN       TYR  35  38.610  14.167   1.232
  226    HA   TYR  35           HA       TYR  35  38.757  12.499   3.609
  227    HB2  TYR  35           HB2      TYR  35  40.701  12.040   2.567
  228    HB3  TYR  35           HB1      TYR  35  40.618  13.505   1.588
  229    HD1  TYR  35           HD2      TYR  35  41.564  15.617   2.386
  230    HD2  TYR  35           HD1      TYR  35  41.785  12.042   4.758
  231    HE1  TYR  35           HE2      TYR  35  43.257  16.690   3.845
  232    HE2  TYR  35           HE1      TYR  35  43.479  13.116   6.216
  233    HH   TYR  35           HH       TYR  35  44.450  15.082   6.763
  234    H    MET  36           HN       MET  36  38.745  15.872   2.775
  235    HA   MET  36           HA       MET  36  39.807  16.758   5.320
  236    HB2  MET  36           HB2      MET  36  40.193  18.105   3.317
  237    HB3  MET  36           HB1      MET  36  38.453  18.285   3.082
  238    HG2  MET  36           HG2      MET  36  38.313  19.927   4.630
  239    HG3  MET  36           HG1      MET  36  39.300  19.027   5.782
  240    HE1  MET  36           HE1      MET  36  38.974  22.067   3.823
  241    HE2  MET  36           HE2      MET  36  39.361  21.034   2.448
  242    HE3  MET  36           HE3      MET  36  40.470  22.322   2.913
  243    H    LEU  37           HN       LEU  37  36.649  16.385   3.797
  244    HA   LEU  37           HA       LEU  37  35.202  17.681   5.917
  245    HB2  LEU  37           HB2      LEU  37  34.059  15.727   3.922
  246    HB3  LEU  37           HB1      LEU  37  33.241  17.060   4.737
  247    HG   LEU  37           HG       LEU  37  35.411  17.273   2.633
  248   HD11  LEU  37          HD11      LEU  37  33.699  18.301   1.286
  249   HD12  LEU  37          HD12      LEU  37  32.576  18.343   2.646
  250   HD13  LEU  37          HD13      LEU  37  33.025  16.799   1.919
  251   HD21  LEU  37          HD21      LEU  37  34.787  19.794   2.934
  252   HD22  LEU  37          HD22      LEU  37  35.899  19.056   4.088
  253   HD23  LEU  37          HD23      LEU  37  34.205  19.289   4.520
  254    H    VAL  38           HN       VAL  38  37.034  15.552   6.734
  255    HA   VAL  38           HA       VAL  38  35.090  13.917   8.218
  256    HB   VAL  38           HB       VAL  38  37.516  12.839   6.760
  257   HG11  VAL  38          HG11      VAL  38  36.099  10.697   7.737
  258   HG12  VAL  38          HG12      VAL  38  35.940  11.862   9.050
  259   HG13  VAL  38          HG13      VAL  38  37.541  11.372   8.495
  260   HG21  VAL  38          HG21      VAL  38  35.807  11.471   5.584
  261   HG22  VAL  38          HG22      VAL  38  35.557  13.196   5.315
  262   HG23  VAL  38          HG23      VAL  38  34.538  12.325   6.462
  263    H    PHE  39           HN       PHE  39  38.206  15.443   7.946
  264    HA   PHE  39           HA       PHE  39  39.329  14.470  10.378
  265    HB2  PHE  39           HB2      PHE  39  40.903  15.371   8.900
  266    HB3  PHE  39           HB1      PHE  39  39.914  16.791   8.560
  267    HD1  PHE  39           HD2      PHE  39  41.165  15.127  11.688
  268    HD2  PHE  39           HD1      PHE  39  40.867  18.750   9.397
  269    HE1  PHE  39           HE2      PHE  39  42.330  16.365  13.493
  270    HE2  PHE  39           HE1      PHE  39  42.032  19.986  11.203
  271    HZ   PHE  39           HZ       PHE  39  42.763  18.794  13.251
  272    H    LEU  40           HN       LEU  40  36.979  16.875   9.620
  273    HA   LEU  40           HA       LEU  40  36.835  17.607  12.472
  274    HB2  LEU  40           HB2      LEU  40  36.365  19.953  11.822
  275    HB3  LEU  40           HB1      LEU  40  37.990  19.447  11.358
  276    HG   LEU  40           HG       LEU  40  36.230  18.760   9.221
  277   HD11  LEU  40          HD11      LEU  40  34.692  20.453  10.166
  278   HD12  LEU  40          HD12      LEU  40  35.361  20.987   8.624
  279   HD13  LEU  40          HD13      LEU  40  35.992  21.644  10.135
  280   HD21  LEU  40          HD21      LEU  40  38.338  20.920   9.544
  281   HD22  LEU  40          HD22      LEU  40  37.677  20.386   8.000
  282   HD23  LEU  40          HD23      LEU  40  38.613  19.268   8.992
  283    H    LEU  41           HN       LEU  41  35.349  16.323   9.836
  284    HA   LEU  41           HA       LEU  41  32.704  16.722  11.017
  285    HB2  LEU  41           HB2      LEU  41  33.012  18.490   9.248
  286    HB3  LEU  41           HB1      LEU  41  33.200  17.195   8.069
  287    HG   LEU  41           HG       LEU  41  30.955  16.314   8.733
  288   HD11  LEU  41          HD11      LEU  41  30.271  17.024  10.786
  289   HD12  LEU  41          HD12      LEU  41  29.651  18.415   9.897
  290   HD13  LEU  41          HD13      LEU  41  31.217  18.509  10.701
  291   HD21  LEU  41          HD21      LEU  41  29.740  18.531   7.877
  292   HD22  LEU  41          HD22      LEU  41  30.753  17.567   6.803
  293   HD23  LEU  41          HD23      LEU  41  31.402  19.023   7.554
  294    H    GLY  42           HN       GLY  42  33.466  14.453  11.543
  295    HA2  GLY  42           HA2      GLY  42  32.003  12.541  10.199
  296    HA3  GLY  42           HA1      GLY  42  33.600  12.497   9.458
  297    H    THR  43           HN       THR  43  34.794  13.369  12.091
  298    HA   THR  43           HA       THR  43  34.391  10.937  13.697
  299    HB   THR  43           HB       THR  43  36.370  10.772  12.021
  300    HG1  THR  43           HG1      THR  43  37.678   9.958  13.921
  301   HG21  THR  43          HG21      THR  43  38.355  11.919  12.549
  302   HG22  THR  43          HG22      THR  43  37.787  12.342  14.164
  303   HG23  THR  43          HG23      THR  43  37.110  13.152  12.751
  304    H    THR  44           HN       THR  44  35.511  14.234  13.390
  305    HA   THR  44           HA       THR  44  36.444  14.611  16.035
  306    HB   THR  44           HB       THR  44  35.372  16.511  13.950
  307    HG1  THR  44           HG1      THR  44  37.803  17.058  14.561
  308   HG21  THR  44          HG21      THR  44  36.283  17.025  16.777
  309   HG22  THR  44          HG22      THR  44  34.853  17.646  15.953
  310   HG23  THR  44          HG23      THR  44  36.451  18.257  15.525
  311    H    GLY  45           HN       GLY  45  33.353  13.980  14.884
  312    HA2  GLY  45           HA2      GLY  45  31.544  15.508  16.210
  313    HA3  GLY  45           HA1      GLY  45  31.369  13.761  16.071
  314    H    ASN  46           HN       ASN  46  33.550  12.961  17.646
  315    HA   ASN  46           HA       ASN  46  32.567  13.723  20.320
  316    HB2  ASN  46           HB2      ASN  46  32.384  11.348  19.819
  317    HB3  ASN  46           HB1      ASN  46  34.090  11.281  19.385
  318   HD21  ASN  46          HD21      ASN  46  35.673  11.772  21.193
  319   HD22  ASN  46          HD22      ASN  46  35.216  11.412  22.787
  320    H    GLY  47           HN       GLY  47  35.131  14.228  18.209
  321    HA2  GLY  47           HA2      GLY  47  37.304  14.282  20.076
  322    HA3  GLY  47           HA1      GLY  47  37.300  14.983  18.459
  323    H    LEU  48           HN       LEU  48  35.013  15.712  21.050
  324    HA   LEU  48           HA       LEU  48  35.821  18.533  20.893
  325    HB2  LEU  48           HB2      LEU  48  33.341  17.092  21.778
  326    HB3  LEU  48           HB1      LEU  48  33.648  18.731  22.344
  327    HG   LEU  48           HG       LEU  48  32.262  18.589  20.235
  328   HD11  LEU  48          HD11      LEU  48  34.575  19.984  19.172
  329   HD12  LEU  48          HD12      LEU  48  34.358  20.354  20.880
  330   HD13  LEU  48          HD13      LEU  48  33.044  20.645  19.742
  331   HD21  LEU  48          HD21      LEU  48  33.706  16.631  19.373
  332   HD22  LEU  48          HD22      LEU  48  34.852  17.871  18.863
  333   HD23  LEU  48          HD23      LEU  48  33.219  17.854  18.201
  334    H    VAL  49           HN       VAL  49  36.487  15.859  22.734
  335    HA   VAL  49           HA       VAL  49  36.674  17.339  25.267
  336    HB   VAL  49           HB       VAL  49  37.501  14.925  25.989
  337   HG11  VAL  49          HG11      VAL  49  35.552  15.797  26.984
  338   HG12  VAL  49          HG12      VAL  49  34.977  14.336  26.181
  339   HG13  VAL  49          HG13      VAL  49  34.706  15.913  25.441
  340   HG21  VAL  49          HG21      VAL  49  35.677  14.253  23.674
  341   HG22  VAL  49          HG22      VAL  49  36.643  13.154  24.656
  342   HG23  VAL  49          HG23      VAL  49  37.431  14.235  23.507
  343    H    LEU  50           HN       LEU  50  38.638  15.884  22.757
  344    HA   LEU  50           HA       LEU  50  41.091  16.422  24.276
  345    HB2  LEU  50           HB2      LEU  50  42.088  15.406  22.061
  346    HB3  LEU  50           HB1      LEU  50  41.350  14.353  23.267
  347    HG   LEU  50           HG       LEU  50  39.245  14.347  22.028
  348   HD11  LEU  50          HD11      LEU  50  39.141  16.518  21.072
  349   HD12  LEU  50          HD12      LEU  50  39.314  15.432  19.695
  350   HD13  LEU  50          HD13      LEU  50  40.709  16.334  20.287
  351   HD21  LEU  50          HD21      LEU  50  39.933  12.944  20.272
  352   HD22  LEU  50          HD22      LEU  50  41.302  12.874  21.381
  353   HD23  LEU  50          HD23      LEU  50  41.378  13.901  19.948
  354    H    TRP  51           HN       TRP  51  39.072  18.223  22.525
  355    HA   TRP  51           HA       TRP  51  41.073  19.582  20.877
  356    HB2  TRP  51           HB2      TRP  51  39.084  19.461  19.685
  357    HB3  TRP  51           HB1      TRP  51  38.089  19.695  21.122
  358    HD1  TRP  51           HD1      TRP  51  40.813  21.770  19.297
  359    HE1  TRP  51           HE1      TRP  51  40.012  24.219  19.197
  360    HE3  TRP  51           HE3      TRP  51  36.336  21.334  21.716
  361    HZ2  TRP  51           HZ2      TRP  51  37.771  25.785  20.033
  362    HZ3  TRP  51           HZ3      TRP  51  34.890  23.319  22.050
  363    HH2  TRP  51           HH2      TRP  51  35.602  25.542  21.213
  364    H    THR  52           HN       THR  52  38.513  20.816  23.030
  365    HA   THR  52           HA       THR  52  39.735  23.265  23.579
  366    HB   THR  52           HB       THR  52  37.536  23.276  24.249
  367    HG1  THR  52           HG1      THR  52  37.855  23.901  26.209
  368   HG21  THR  52          HG21      THR  52  36.714  21.265  25.753
  369   HG22  THR  52          HG22      THR  52  38.095  20.439  25.032
  370   HG23  THR  52          HG23      THR  52  36.816  21.084  24.003
  371    H    VAL  53           HN       VAL  53  39.851  20.221  25.416
  372    HA   VAL  53           HA       VAL  53  41.354  21.055  27.594
  373    HB   VAL  53           HB       VAL  53  41.340  18.411  26.128
  374   HG11  VAL  53          HG11      VAL  53  42.195  17.747  28.575
  375   HG12  VAL  53          HG12      VAL  53  42.883  19.369  28.498
  376   HG13  VAL  53          HG13      VAL  53  43.321  18.167  27.285
  377   HG21  VAL  53          HG21      VAL  53  39.976  17.758  28.134
  378   HG22  VAL  53          HG22      VAL  53  39.210  19.004  27.148
  379   HG23  VAL  53          HG23      VAL  53  40.013  19.443  28.654
  380    H    PHE  54           HN       PHE  54  42.444  20.039  24.378
  381    HA   PHE  54           HA       PHE  54  45.181  19.921  24.777
  382    HB2  PHE  54           HB2      PHE  54  43.855  19.440  22.643
  383    HB3  PHE  54           HB1      PHE  54  43.944  21.172  22.327
  384    HD1  PHE  54           HD1      PHE  54  46.015  18.140  22.971
  385    HD2  PHE  54           HD2      PHE  54  45.926  22.167  21.480
  386    HE1  PHE  54           HE1      PHE  54  48.313  17.862  22.083
  387    HE2  PHE  54           HE2      PHE  54  48.225  21.889  20.592
  388    HZ   PHE  54           HZ       PHE  54  49.418  19.737  20.893
  389    H    ARG  55           HN       ARG  55  43.165  22.769  24.123
  390    HA   ARG  55           HA       ARG  55  45.296  24.636  23.995
  391    HB2  ARG  55           HB2      ARG  55  42.334  24.829  24.419
  392    HB3  ARG  55           HB1      ARG  55  43.345  26.253  24.666
  393    HG2  ARG  55           HG2      ARG  55  42.508  26.151  22.344
  394    HG3  ARG  55           HG1      ARG  55  44.265  26.003  22.392
  395    HD2  ARG  55           HD2      ARG  55  44.164  23.633  22.066
  396    HD3  ARG  55           HD1      ARG  55  42.426  23.602  22.349
  397    HE   ARG  55           HE       ARG  55  43.727  24.175  19.867
  398   HH11  ARG  55          HH21      ARG  55  41.024  24.976  21.875
  399   HH12  ARG  55          HH22      ARG  55  40.009  25.453  20.555
  400   HH21  ARG  55          HH11      ARG  55  42.400  24.797  18.132
  401   HH22  ARG  55          HH12      ARG  55  40.787  25.351  18.436
  402    H    LYS  56           HN       LYS  56  43.500  23.222  26.640
  403    HA   LYS  56           HA       LYS  56  44.383  25.117  28.618
  404    HB2  LYS  56           HB2      LYS  56  42.825  22.586  28.596
  405    HB3  LYS  56           HB1      LYS  56  43.631  23.016  30.105
  406    HG2  LYS  56           HG2      LYS  56  41.332  23.946  29.993
  407    HG3  LYS  56           HG1      LYS  56  42.550  25.218  30.083
  408    HD2  LYS  56           HD2      LYS  56  42.281  25.821  27.844
  409    HD3  LYS  56           HD1      LYS  56  41.617  24.249  27.397
  410    HE2  LYS  56           HE2      LYS  56  39.497  24.789  28.102
  411    HE3  LYS  56           HE1      LYS  56  40.080  25.840  29.392
  412    HZ1  LYS  56           HZ1      LYS  56  40.477  26.592  26.572
  413    HZ2  LYS  56           HZ2      LYS  56  40.404  27.587  27.946
  414    HZ3  LYS  56           HZ3      LYS  56  38.986  26.884  27.327
  415    H    LYS  57           HN       LYS  57  45.564  22.111  27.292
  416    HA   LYS  57           HA       LYS  57  47.288  21.209  29.253
  417    HB2  LYS  57           HB2      LYS  57  46.789  20.435  26.732
  418    HB3  LYS  57           HB1      LYS  57  48.341  21.234  26.475
  419    HG2  LYS  57           HG2      LYS  57  49.007  19.058  27.017
  420    HG3  LYS  57           HG1      LYS  57  49.093  19.867  28.583
  421    HD2  LYS  57           HD2      LYS  57  47.818  18.079  29.238
  422    HD3  LYS  57           HD1      LYS  57  46.506  19.088  28.628
  423    HE2  LYS  57           HE2      LYS  57  47.876  16.769  27.270
  424    HE3  LYS  57           HE1      LYS  57  46.153  17.007  27.567
  425    HZ1  LYS  57           HZ1      LYS  57  47.842  18.592  25.707
  426    HZ2  LYS  57           HZ2      LYS  57  46.196  18.875  26.019
  427    HZ3  LYS  57           HZ3      LYS  57  46.685  17.433  25.264
  428    H    GLY  58           HN       GLY  58  47.604  23.986  27.148
  429    HA2  GLY  58           HA2      GLY  58  49.192  25.649  26.998
  430    HA3  GLY  58           HA1      GLY  58  49.394  25.388  28.728
  431    H    HIS  59           HN       HIS  59  50.051  23.035  26.181
  432    HA   HIS  59           HA       HIS  59  51.960  21.870  25.650
  433    HB2  HIS  59           HB2      HIS  59  53.186  24.577  26.223
  434    HB3  HIS  59           HB1      HIS  59  54.024  23.243  25.430
  435    HD2  HIS  59           HD2      HIS  59  50.472  23.195  24.156
  436    HE1  HIS  59           HE1      HIS  59  52.568  25.664  21.447
  437    HE2  HIS  59           HE2      HIS  59  50.405  24.392  21.836
  438    H    HIS  60           HN       HIS  60  54.123  21.133  26.497
  439    HA   HIS  60           HA       HIS  60  55.406  20.242  28.182
  440    HB2  HIS  60           HB2      HIS  60  55.216  22.851  28.827
  441    HB3  HIS  60           HB1      HIS  60  54.410  22.145  30.228
  442    HD2  HIS  60           HD2      HIS  60  56.104  20.719  31.977
  443    HE1  HIS  60           HE1      HIS  60  59.667  21.317  29.794
  444    HE2  HIS  60           HE2      HIS  60  58.702  20.448  31.976
  445    H    HIS  61           HN       HIS  61  55.055  18.482  29.394
  446    HA   HIS  61           HA       HIS  61  52.326  17.958  30.311
  447    HB2  HIS  61           HB2      HIS  61  54.753  16.146  30.255
  448    HB3  HIS  61           HB1      HIS  61  53.097  15.654  30.611
  449    HD2  HIS  61           HD2      HIS  61  51.710  17.414  28.076
  450    HE1  HIS  61           HE1      HIS  61  54.128  14.918  25.680
  451    HE2  HIS  61           HE2      HIS  61  52.127  16.482  25.673
  452    H    HIS  62           HN       HIS  62  51.744  17.654  32.420
  453    HA   HIS  62           HA       HIS  62  53.619  18.647  34.429
  454    HB2  HIS  62           HB2      HIS  62  51.266  19.488  34.317
  455    HB3  HIS  62           HB1      HIS  62  50.712  17.871  34.751
  456    HD2  HIS  62           HD2      HIS  62  50.765  17.353  37.483
  457    HE1  HIS  62           HE1      HIS  62  53.030  20.719  38.652
  458    HE2  HIS  62           HE2      HIS  62  51.715  18.717  39.496
  459    H    HIS  63           HN       HIS  63  54.663  17.388  35.839
  460    HA   HIS  63           HA       HIS  63  53.613  14.869  36.750
  461    HB2  HIS  63           HB2      HIS  63  54.497  14.174  34.563
  462    HB3  HIS  63           HB1      HIS  63  56.070  14.852  34.980
  463    HD2  HIS  63           HD2      HIS  63  57.032  12.076  34.864
  464    HE1  HIS  63           HE1      HIS  63  55.248  11.025  38.543
  465    HE2  HIS  63           HE2      HIS  63  56.915  10.297  36.772
  466    H    HIS  64           HN       HIS  64  54.213  17.025  38.238
  467    HA   HIS  64           HA       HIS  64  56.707  17.549  39.192
  468    HB2  HIS  64           HB2      HIS  64  54.200  18.137  40.052
  469    HB3  HIS  64           HB1      HIS  64  54.730  17.043  41.329
  470    HD2  HIS  64           HD2      HIS  64  56.877  18.020  42.924
  471    HE1  HIS  64           HE1      HIS  64  57.039  21.844  41.140
  472    HE2  HIS  64           HE2      HIS  64  57.885  20.424  43.069
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  61.446 -33.063 -12.551
    2    H2   MET   1           HT2      MET   1  60.760 -33.378 -11.029
    3    H3   MET   1           HT3      MET   1  62.360 -32.818 -11.144
    4    HA   MET   1           HA       MET   1  59.903 -31.308 -11.851
    5    HB2  MET   1           HB2      MET   1  61.905 -31.149  -9.590
    6    HB3  MET   1           HB1      MET   1  60.840 -29.805 -10.001
    7    HG2  MET   1           HG2      MET   1  58.976 -30.863  -9.206
    8    HG3  MET   1           HG1      MET   1  59.527 -32.451  -9.740
    9    HE1  MET   1           HE1      MET   1  59.254 -33.935  -6.970
   10    HE2  MET   1           HE2      MET   1  58.180 -32.821  -7.812
   11    HE3  MET   1           HE3      MET   1  58.580 -32.538  -6.119
   12    H    GLU   2           HN       GLU   2  60.567 -30.679 -13.905
   13    HA   GLU   2           HA       GLU   2  63.218 -29.627 -14.374
   14    HB2  GLU   2           HB2      GLU   2  61.711 -30.834 -16.073
   15    HB3  GLU   2           HB1      GLU   2  60.845 -29.303 -16.203
   16    HG2  GLU   2           HG2      GLU   2  63.424 -28.444 -16.410
   17    HG3  GLU   2           HG1      GLU   2  63.544 -30.030 -17.168
   18    H    GLU   3           HN       GLU   3  62.751 -28.091 -12.441
   19    HA   GLU   3           HA       GLU   3  61.075 -25.941 -12.431
   20    HB2  GLU   3           HB2      GLU   3  64.003 -26.059 -11.693
   21    HB3  GLU   3           HB1      GLU   3  62.979 -24.665 -11.351
   22    HG2  GLU   3           HG2      GLU   3  61.430 -26.129 -10.085
   23    HG3  GLU   3           HG1      GLU   3  62.495 -27.500 -10.392
   24    H    GLY   4           HN       GLY   4  61.281 -23.727 -13.127
   25    HA2  GLY   4           HA2      GLY   4  62.487 -23.534 -15.805
   26    HA3  GLY   4           HA1      GLY   4  61.207 -22.500 -15.175
   27    H    GLY   5           HN       GLY   5  63.190 -22.722 -12.646
   28    HA2  GLY   5           HA2      GLY   5  65.542 -21.417 -13.029
   29    HA3  GLY   5           HA1      GLY   5  64.356 -20.118 -13.105
   30    H    ASP   6           HN       ASP   6  66.328 -21.874 -11.071
   31    HA   ASP   6           HA       ASP   6  64.735 -21.958  -8.712
   32    HB2  ASP   6           HB2      ASP   6  66.979 -23.196  -9.336
   33    HB3  ASP   6           HB1      ASP   6  67.717 -21.776  -8.598
   34    H    PHE   7           HN       PHE   7  64.497 -19.419  -9.913
   35    HA   PHE   7           HA       PHE   7  65.168 -17.747  -7.657
   36    HB2  PHE   7           HB2      PHE   7  66.993 -16.723  -8.454
   37    HB3  PHE   7           HB1      PHE   7  67.009 -17.865  -9.799
   38    HD1  PHE   7           HD1      PHE   7  65.884 -14.528  -8.675
   39    HD2  PHE   7           HD2      PHE   7  66.136 -17.263 -11.979
   40    HE1  PHE   7           HE1      PHE   7  65.277 -12.699 -10.237
   41    HE2  PHE   7           HE2      PHE   7  65.529 -15.434 -13.539
   42    HZ   PHE   7           HZ       PHE   7  65.099 -13.152 -12.669
   43    H    ASP   8           HN       ASP   8  63.788 -18.192 -10.839
   44    HA   ASP   8           HA       ASP   8  62.485 -15.755 -11.207
   45    HB2  ASP   8           HB2      ASP   8  62.262 -18.466 -12.252
   46    HB3  ASP   8           HB1      ASP   8  60.700 -17.653 -12.168
   47    H    ASN   9           HN       ASN   9  61.407 -14.792  -9.576
   48    HA   ASN   9           HA       ASN   9  58.941 -16.016  -8.661
   49    HB2  ASN   9           HB2      ASN   9  61.222 -16.374  -7.095
   50    HB3  ASN   9           HB1      ASN   9  60.374 -15.030  -6.335
   51   HD21  ASN   9          HD21      ASN   9  58.304 -15.456  -5.351
   52   HD22  ASN   9          HD22      ASN   9  57.690 -17.029  -5.183
   53    H    TYR  10           HN       TYR  10  60.025 -13.600 -10.123
   54    HA   TYR  10           HA       TYR  10  59.370 -11.411 -10.373
   55    HB2  TYR  10           HB2      TYR  10  57.613 -11.538  -7.960
   56    HB3  TYR  10           HB1      TYR  10  57.325 -10.767  -9.520
   57    HD1  TYR  10           HD2      TYR  10  57.890 -12.888 -11.442
   58    HD2  TYR  10           HD1      TYR  10  55.888 -13.101  -7.647
   59    HE1  TYR  10           HE2      TYR  10  56.651 -14.896 -12.208
   60    HE2  TYR  10           HE1      TYR  10  54.650 -15.108  -8.413
   61    HH   TYR  10           HH       TYR  10  54.349 -16.567 -10.052
   62    H    TYR  11           HN       TYR  11  59.199 -11.937  -6.845
   63    HA   TYR  11           HA       TYR  11  60.382 -10.999  -5.111
   64    HB2  TYR  11           HB2      TYR  11  62.287 -11.506  -6.989
   65    HB3  TYR  11           HB1      TYR  11  62.454  -9.760  -6.809
   66    HD1  TYR  11           HD2      TYR  11  62.613 -13.012  -5.060
   67    HD2  TYR  11           HD1      TYR  11  63.208  -8.770  -4.728
   68    HE1  TYR  11           HE2      TYR  11  63.814 -13.347  -2.916
   69    HE2  TYR  11           HE1      TYR  11  64.410  -9.106  -2.585
   70    HH   TYR  11           HH       TYR  11  64.227 -11.317  -0.704
   71    H    GLY  12           HN       GLY  12  59.978  -9.158  -4.040
   72    HA2  GLY  12           HA2      GLY  12  59.048  -7.061  -3.705
   73    HA3  GLY  12           HA1      GLY  12  60.404  -6.559  -4.709
   74    H    ALA  13           HN       ALA  13  57.444  -8.396  -5.463
   75    HA   ALA  13           HA       ALA  13  57.041  -6.821  -7.865
   76    HB1  ALA  13           HB1      ALA  13  54.992  -8.751  -6.875
   77    HB2  ALA  13           HB2      ALA  13  56.554  -9.391  -7.389
   78    HB3  ALA  13           HB3      ALA  13  55.565  -8.463  -8.518
   79    H    ASP  14           HN       ASP  14  55.874  -6.883  -4.606
   80    HA   ASP  14           HA       ASP  14  53.364  -5.700  -4.853
   81    HB2  ASP  14           HB2      ASP  14  53.572  -5.074  -2.569
   82    HB3  ASP  14           HB1      ASP  14  54.488  -6.570  -2.741
   83    H    ASN  15           HN       ASN  15  56.569  -4.291  -5.069
   84    HA   ASN  15           HA       ASN  15  56.187  -1.621  -4.710
   85    HB2  ASN  15           HB2      ASN  15  58.033  -3.249  -6.164
   86    HB3  ASN  15           HB1      ASN  15  57.610  -1.857  -7.158
   87   HD21  ASN  15          HD21      ASN  15  58.086   0.305  -6.282
   88   HD22  ASN  15          HD22      ASN  15  59.182   0.497  -4.999
   89    H    GLN  16           HN       GLN  16  55.310  -3.475  -7.611
   90    HA   GLN  16           HA       GLN  16  53.988  -1.110  -8.738
   91    HB2  GLN  16           HB2      GLN  16  54.198  -3.843 -10.001
   92    HB3  GLN  16           HB1      GLN  16  53.910  -2.294 -10.794
   93    HG2  GLN  16           HG2      GLN  16  56.229  -1.651  -9.720
   94    HG3  GLN  16           HG1      GLN  16  56.462  -3.398  -9.669
   95   HE21  GLN  16          HE21      GLN  16  57.050  -0.755 -11.610
   96   HE22  GLN  16          HE22      GLN  16  57.092  -1.528 -13.119
   97    H    SER  17           HN       SER  17  52.791  -2.085  -6.417
   98    HA   SER  17           HA       SER  17  50.207  -2.978  -7.497
   99    HB2  SER  17           HB2      SER  17  51.513  -4.941  -6.550
  100    HB3  SER  17           HB1      SER  17  51.379  -4.160  -4.976
  101    HG   SER  17           HG       SER  17  49.254  -4.939  -6.697
  102    H    GLU  18           HN       GLU  18  48.846  -3.181  -5.100
  103    HA   GLU  18           HA       GLU  18  47.934  -0.681  -4.553
  104    HB2  GLU  18           HB2      GLU  18  46.881  -2.681  -3.634
  105    HB3  GLU  18           HB1      GLU  18  48.257  -2.936  -2.559
  106    HG2  GLU  18           HG2      GLU  18  47.789  -0.931  -1.337
  107    HG3  GLU  18           HG1      GLU  18  46.613  -0.398  -2.536
  108    H    CYS  19           HN       CYS  19  49.431   0.956  -4.437
  109    HA   CYS  19           HA       CYS  19  50.871   1.171  -1.903
  110    HB2  CYS  19           HB2      CYS  19  52.385   0.147  -3.729
  111    HB3  CYS  19           HB1      CYS  19  52.356   1.754  -4.455
  112    HG   CYS  19           HG       CYS  19  53.986   0.985  -2.043
  113    H    GLU  20           HN       GLU  20  49.311   2.796  -1.472
  114    HA   GLU  20           HA       GLU  20  48.553   4.961  -1.372
  115    HB2  GLU  20           HB2      GLU  20  51.015   5.720  -2.946
  116    HB3  GLU  20           HB1      GLU  20  50.115   6.703  -1.789
  117    HG2  GLU  20           HG2      GLU  20  51.702   4.200  -1.149
  118    HG3  GLU  20           HG1      GLU  20  52.164   5.853  -0.746
  119    H    TYR  21           HN       TYR  21  48.526   3.180  -4.023
  120    HA   TYR  21           HA       TYR  21  47.658   5.310  -5.863
  121    HB2  TYR  21           HB2      TYR  21  48.301   2.389  -6.322
  122    HB3  TYR  21           HB1      TYR  21  47.683   3.473  -7.568
  123    HD1  TYR  21           HD2      TYR  21  48.988   5.792  -7.756
  124    HD2  TYR  21           HD1      TYR  21  50.619   2.174  -6.111
  125    HE1  TYR  21           HE2      TYR  21  51.282   6.637  -8.172
  126    HE2  TYR  21           HE1      TYR  21  52.911   3.019  -6.527
  127    HH   TYR  21           HH       TYR  21  54.125   4.864  -7.041
  128    H    THR  22           HN       THR  22  45.985   4.773  -3.675
  129    HA   THR  22           HA       THR  22  43.489   4.485  -4.879
  130    HB   THR  22           HB       THR  22  43.711   2.218  -5.327
  131    HG1  THR  22           HG1      THR  22  42.095   1.619  -4.157
  132   HG21  THR  22          HG21      THR  22  45.550   2.288  -2.993
  133   HG22  THR  22          HG22      THR  22  45.733   1.474  -4.547
  134   HG23  THR  22          HG23      THR  22  44.713   0.767  -3.295
  135    H    ASP  23           HN       ASP  23  45.360   3.761  -1.966
  136    HA   ASP  23           HA       ASP  23  43.411   3.946  -0.018
  137    HB2  ASP  23           HB2      ASP  23  46.303   4.238  -0.141
  138    HB3  ASP  23           HB1      ASP  23  45.588   5.287   1.082
  139    H    TRP  24           HN       TRP  24  44.330   6.341  -2.221
  140    HA   TRP  24           HA       TRP  24  42.663   8.300  -0.844
  141    HB2  TRP  24           HB2      TRP  24  44.283  10.042  -0.803
  142    HB3  TRP  24           HB1      TRP  24  45.068   8.636  -0.083
  143    HD1  TRP  24           HD1      TRP  24  46.630   7.152  -1.834
  144    HE1  TRP  24           HE1      TRP  24  48.162   7.999  -3.727
  145    HE3  TRP  24           HE3      TRP  24  44.693  11.828  -2.513
  146    HZ2  TRP  24           HZ2      TRP  24  48.520  10.348  -5.319
  147    HZ3  TRP  24           HZ3      TRP  24  45.648  13.348  -4.223
  148    HH2  TRP  24           HH2      TRP  24  47.557  12.613  -5.624
  149    H    LYS  25           HN       LYS  25  44.815   7.734  -3.631
  150    HA   LYS  25           HA       LYS  25  44.667   8.493  -5.810
  151    HB2  LYS  25           HB2      LYS  25  42.619   6.711  -5.170
  152    HB3  LYS  25           HB1      LYS  25  41.807   8.013  -6.041
  153    HG2  LYS  25           HG2      LYS  25  42.530   6.460  -7.707
  154    HG3  LYS  25           HG1      LYS  25  43.653   7.816  -7.792
  155    HD2  LYS  25           HD2      LYS  25  44.796   6.157  -5.879
  156    HD3  LYS  25           HD1      LYS  25  44.162   5.027  -7.075
  157    HE2  LYS  25           HE2      LYS  25  46.370   5.583  -7.807
  158    HE3  LYS  25           HE1      LYS  25  45.271   6.484  -8.851
  159    HZ1  LYS  25           HZ1      LYS  25  47.055   7.891  -8.055
  160    HZ2  LYS  25           HZ2      LYS  25  46.645   7.549  -6.443
  161    HZ3  LYS  25           HZ3      LYS  25  45.569   8.419  -7.430
  162    H    SER  26           HN       SER  26  42.543   9.566  -7.255
  163    HA   SER  26           HA       SER  26  41.393  11.832  -5.929
  164    HB2  SER  26           HB2      SER  26  43.585  12.453  -7.911
  165    HB3  SER  26           HB1      SER  26  42.668  13.591  -6.927
  166    HG   SER  26           HG       SER  26  44.888  12.817  -6.226
  167    H    SER  27           HN       SER  27  39.508  12.046  -6.936
  168    HA   SER  27           HA       SER  27  39.057  10.971  -9.564
  169    HB2  SER  27           HB2      SER  27  37.332  10.951  -7.771
  170    HB3  SER  27           HB1      SER  27  37.246  12.708  -7.872
  171    HG   SER  27           HG       SER  27  36.560  12.509 -10.000
  172    H    GLY  28           HN       GLY  28  40.614  13.676  -8.660
  173    HA2  GLY  28           HA2      GLY  28  41.201  14.970 -10.819
  174    HA3  GLY  28           HA1      GLY  28  39.489  15.384 -10.784
  175    H    ALA  29           HN       ALA  29  41.644  15.063  -7.999
  176    HA   ALA  29           HA       ALA  29  42.485  16.637  -6.531
  177    HB1  ALA  29           HB1      ALA  29  42.938  18.752  -7.275
  178    HB2  ALA  29           HB2      ALA  29  41.344  18.952  -8.003
  179    HB3  ALA  29           HB3      ALA  29  42.581  18.011  -8.836
  180    H    LEU  30           HN       LEU  30  39.547  15.679  -6.893
  181    HA   LEU  30           HA       LEU  30  38.224  17.723  -5.234
  182    HB2  LEU  30           HB2      LEU  30  37.307  15.694  -7.176
  183    HB3  LEU  30           HB1      LEU  30  36.286  15.892  -5.750
  184    HG   LEU  30           HG       LEU  30  36.134  18.301  -6.156
  185   HD11  LEU  30          HD11      LEU  30  37.085  18.830  -8.644
  186   HD12  LEU  30          HD12      LEU  30  38.277  17.649  -8.102
  187   HD13  LEU  30          HD13      LEU  30  38.011  19.123  -7.172
  188   HD21  LEU  30          HD21      LEU  30  35.537  16.509  -8.523
  189   HD22  LEU  30          HD22      LEU  30  35.009  18.189  -8.449
  190   HD23  LEU  30          HD23      LEU  30  34.427  17.029  -7.256
  191    H    ILE  31           HN       ILE  31  40.086  15.088  -4.775
  192    HA   ILE  31           HA       ILE  31  38.547  13.665  -2.817
  193    HB   ILE  31           HB       ILE  31  41.171  13.418  -4.077
  194   HG12  ILE  31          HG12      ILE  31  40.649  11.040  -3.785
  195   HG13  ILE  31          HG11      ILE  31  39.323  11.452  -2.698
  196   HG21  ILE  31          HG21      ILE  31  42.148  12.088  -2.187
  197   HG22  ILE  31          HG22      ILE  31  40.891  12.725  -1.132
  198   HG23  ILE  31          HG23      ILE  31  42.079  13.816  -1.854
  199   HD11  ILE  31          HD11      ILE  31  39.212  12.872  -5.268
  200   HD12  ILE  31          HD12      ILE  31  37.941  12.002  -4.409
  201   HD13  ILE  31          HD13      ILE  31  39.081  11.120  -5.425
  202    HA   PRO  32           HA       PRO  32  41.530  16.216   0.136
  203    HB2  PRO  32           HB2      PRO  32  41.420  18.804  -1.316
  204    HB3  PRO  32           HB1      PRO  32  42.783  18.033  -0.485
  205    HG2  PRO  32           HG2      PRO  32  42.636  18.139  -3.148
  206    HG3  PRO  32           HG1      PRO  32  43.342  16.753  -2.300
  207    HD2  PRO  32           HD2      PRO  32  40.672  16.990  -3.631
  208    HD3  PRO  32           HD1      PRO  32  41.756  15.587  -3.517
  209    H    ALA  33           HN       ALA  33  38.917  17.677  -1.745
  210    HA   ALA  33           HA       ALA  33  37.859  19.216   0.438
  211    HB1  ALA  33           HB1      ALA  33  37.503  19.830  -1.940
  212    HB2  ALA  33           HB2      ALA  33  35.986  19.661  -1.056
  213    HB3  ALA  33           HB3      ALA  33  36.520  18.381  -2.145
  214    H    ILE  34           HN       ILE  34  36.451  16.469  -1.363
  215    HA   ILE  34           HA       ILE  34  34.385  15.874   0.375
  216    HB   ILE  34           HB       ILE  34  36.024  14.168  -1.480
  217   HG12  ILE  34          HG12      ILE  34  33.069  14.517  -1.641
  218   HG13  ILE  34          HG11      ILE  34  34.057  15.939  -1.980
  219   HG21  ILE  34          HG21      ILE  34  35.449  12.535   0.109
  220   HG22  ILE  34          HG22      ILE  34  34.101  12.465  -1.026
  221   HG23  ILE  34          HG23      ILE  34  33.921  13.324   0.504
  222   HD11  ILE  34          HD11      ILE  34  35.093  14.944  -3.824
  223   HD12  ILE  34          HD12      ILE  34  33.456  14.295  -3.938
  224   HD13  ILE  34          HD13      ILE  34  34.752  13.310  -3.258
  225    H    TYR  35           HN       TYR  35  37.789  15.063   0.626
  226    HA   TYR  35           HA       TYR  35  37.439  13.227   2.821
  227    HB2  TYR  35           HB2      TYR  35  39.357  12.923   1.399
  228    HB3  TYR  35           HB1      TYR  35  39.881  14.586   1.663
  229    HD1  TYR  35           HD2      TYR  35  40.649  15.308   3.940
  230    HD2  TYR  35           HD1      TYR  35  39.838  11.198   2.989
  231    HE1  TYR  35           HE2      TYR  35  41.915  14.594   5.949
  232    HE2  TYR  35           HE1      TYR  35  41.103  10.484   4.998
  233    HH   TYR  35           HH       TYR  35  43.207  12.373   6.613
  234    H    MET  36           HN       MET  36  37.883  16.653   2.440
  235    HA   MET  36           HA       MET  36  38.786  17.179   5.109
  236    HB2  MET  36           HB2      MET  36  39.229  18.769   3.311
  237    HB3  MET  36           HB1      MET  36  37.499  18.996   3.058
  238    HG2  MET  36           HG2      MET  36  37.324  20.420   4.807
  239    HG3  MET  36           HG1      MET  36  38.295  19.382   5.851
  240    HE1  MET  36           HE1      MET  36  40.503  18.808   5.296
  241    HE2  MET  36           HE2      MET  36  41.356  20.109   6.124
  242    HE3  MET  36           HE3      MET  36  41.719  19.761   4.435
  243    H    LEU  37           HN       LEU  37  35.655  16.994   3.514
  244    HA   LEU  37           HA       LEU  37  34.174  18.067   5.732
  245    HB2  LEU  37           HB2      LEU  37  33.145  16.356   3.460
  246    HB3  LEU  37           HB1      LEU  37  32.212  17.450   4.480
  247    HG   LEU  37           HG       LEU  37  34.440  18.271   2.593
  248   HD11  LEU  37          HD11      LEU  37  31.774  17.637   2.035
  249   HD12  LEU  37          HD12      LEU  37  32.858  18.579   1.011
  250   HD13  LEU  37          HD13      LEU  37  31.789  19.397   2.150
  251   HD21  LEU  37          HD21      LEU  37  34.496  19.886   4.280
  252   HD22  LEU  37          HD22      LEU  37  32.776  19.722   4.632
  253   HD23  LEU  37          HD23      LEU  37  33.301  20.575   3.181
  254    H    VAL  38           HN       VAL  38  36.024  15.728   6.154
  255    HA   VAL  38           HA       VAL  38  34.110  14.110   7.677
  256    HB   VAL  38           HB       VAL  38  36.200  12.914   5.840
  257   HG11  VAL  38          HG11      VAL  38  36.070  11.213   7.332
  258   HG12  VAL  38          HG12      VAL  38  34.474  10.919   6.643
  259   HG13  VAL  38          HG13      VAL  38  34.638  11.886   8.109
  260   HG21  VAL  38          HG21      VAL  38  33.182  13.108   5.687
  261   HG22  VAL  38          HG22      VAL  38  34.112  11.944   4.743
  262   HG23  VAL  38          HG23      VAL  38  34.360  13.673   4.501
  263    H    PHE  39           HN       PHE  39  36.337  16.139   8.095
  264    HA   PHE  39           HA       PHE  39  38.107  14.513   9.815
  265    HB2  PHE  39           HB2      PHE  39  39.382  15.779   8.223
  266    HB3  PHE  39           HB1      PHE  39  38.473  17.247   8.577
  267    HD1  PHE  39           HD2      PHE  39  40.755  14.719  10.108
  268    HD2  PHE  39           HD1      PHE  39  39.132  18.690  10.330
  269    HE1  PHE  39           HE2      PHE  39  42.349  15.269  11.927
  270    HE2  PHE  39           HE1      PHE  39  40.726  19.240  12.149
  271    HZ   PHE  39           HZ       PHE  39  42.334  17.530  12.947
  272    H    LEU  40           HN       LEU  40  36.097  17.420   9.690
  273    HA   LEU  40           HA       LEU  40  36.469  18.051  12.474
  274    HB2  LEU  40           HB2      LEU  40  34.683  19.717  12.080
  275    HB3  LEU  40           HB1      LEU  40  35.956  19.820  10.866
  276    HG   LEU  40           HG       LEU  40  34.228  17.975   9.753
  277   HD11  LEU  40          HD11      LEU  40  32.625  18.593  11.636
  278   HD12  LEU  40          HD12      LEU  40  31.987  18.786  10.003
  279   HD13  LEU  40          HD13      LEU  40  32.529  20.198  10.909
  280   HD21  LEU  40          HD21      LEU  40  34.364  20.989   9.435
  281   HD22  LEU  40          HD22      LEU  40  33.537  19.917   8.304
  282   HD23  LEU  40          HD23      LEU  40  35.281  19.785   8.529
  283    H    LEU  41           HN       LEU  41  34.864  15.608  10.959
  284    HA   LEU  41           HA       LEU  41  32.949  15.343  13.192
  285    HB2  LEU  41           HB2      LEU  41  31.238  14.578  11.754
  286    HB3  LEU  41           HB1      LEU  41  31.913  15.986  10.940
  287    HG   LEU  41           HG       LEU  41  33.500  14.023   9.917
  288   HD11  LEU  41          HD11      LEU  41  31.868  12.404  11.204
  289   HD12  LEU  41          HD12      LEU  41  32.331  12.026   9.546
  290   HD13  LEU  41          HD13      LEU  41  30.767  12.767   9.878
  291   HD21  LEU  41          HD21      LEU  41  32.490  15.613   8.488
  292   HD22  LEU  41          HD22      LEU  41  30.863  15.172   9.007
  293   HD23  LEU  41          HD23      LEU  41  31.787  14.077   7.979
  294    H    GLY  42           HN       GLY  42  35.297  13.905  11.101
  295    HA2  GLY  42           HA2      GLY  42  34.757  11.169  11.575
  296    HA3  GLY  42           HA1      GLY  42  36.305  11.838  11.070
  297    H    THR  43           HN       THR  43  36.318  13.630  13.480
  298    HA   THR  43           HA       THR  43  36.705  11.667  15.634
  299    HB   THR  43           HB       THR  43  38.880  13.107  16.106
  300    HG1  THR  43           HG1      THR  43  39.311  13.047  13.429
  301   HG21  THR  43          HG21      THR  43  38.701  10.917  14.018
  302   HG22  THR  43          HG22      THR  43  38.832  10.679  15.761
  303   HG23  THR  43          HG23      THR  43  40.172  11.396  14.865
  304    H    THR  44           HN       THR  44  37.256  15.133  14.960
  305    HA   THR  44           HA       THR  44  36.796  16.143  17.481
  306    HB   THR  44           HB       THR  44  36.291  17.259  14.736
  307    HG1  THR  44           HG1      THR  44  38.135  17.550  16.830
  308   HG21  THR  44          HG21      THR  44  34.597  18.398  15.899
  309   HG22  THR  44          HG22      THR  44  35.984  19.476  16.062
  310   HG23  THR  44          HG23      THR  44  35.522  18.427  17.402
  311    H    GLY  45           HN       GLY  45  34.495  14.889  15.187
  312    HA2  GLY  45           HA2      GLY  45  32.135  16.031  16.264
  313    HA3  GLY  45           HA1      GLY  45  32.217  14.571  15.282
  314    H    ASN  46           HN       ASN  46  34.091  13.275  17.170
  315    HA   ASN  46           HA       ASN  46  33.807  11.640  18.785
  316    HB2  ASN  46           HB2      ASN  46  34.299  13.893  19.973
  317    HB3  ASN  46           HB1      ASN  46  32.602  13.836  20.447
  318   HD21  ASN  46          HD21      ASN  46  35.698  12.842  21.390
  319   HD22  ASN  46          HD22      ASN  46  35.245  11.616  22.473
  320    H    GLY  47           HN       GLY  47  32.194  10.359  17.827
  321    HA2  GLY  47           HA2      GLY  47  30.130   9.361  19.014
  322    HA3  GLY  47           HA1      GLY  47  29.411  10.922  18.626
  323    H    LEU  48           HN       LEU  48  30.851  11.130  16.075
  324    HA   LEU  48           HA       LEU  48  28.929   9.924  14.387
  325    HB2  LEU  48           HB2      LEU  48  31.354  11.563  14.076
  326    HB3  LEU  48           HB1      LEU  48  31.031  10.487  12.719
  327    HG   LEU  48           HG       LEU  48  29.952  12.754  12.515
  328   HD11  LEU  48          HD11      LEU  48  28.509  11.663  11.182
  329   HD12  LEU  48          HD12      LEU  48  27.525  11.242  12.584
  330   HD13  LEU  48          HD13      LEU  48  28.823  10.169  12.064
  331   HD21  LEU  48          HD21      LEU  48  27.813  11.979  14.406
  332   HD22  LEU  48          HD22      LEU  48  28.513  13.565  14.086
  333   HD23  LEU  48          HD23      LEU  48  29.342  12.437  15.156
  334    H    VAL  49           HN       VAL  49  32.428   9.251  14.656
  335    HA   VAL  49           HA       VAL  49  32.396   6.910  13.096
  336    HB   VAL  49           HB       VAL  49  34.471   8.080  13.602
  337   HG11  VAL  49          HG11      VAL  49  34.983   8.763  15.687
  338   HG12  VAL  49          HG12      VAL  49  34.866   7.114  16.304
  339   HG13  VAL  49          HG13      VAL  49  33.425   8.127  16.216
  340   HG21  VAL  49          HG21      VAL  49  35.759   6.172  13.702
  341   HG22  VAL  49          HG22      VAL  49  34.189   5.407  13.457
  342   HG23  VAL  49          HG23      VAL  49  34.871   5.521  15.079
  343    H    LEU  50           HN       LEU  50  31.276   7.499  16.274
  344    HA   LEU  50           HA       LEU  50  31.387   4.658  17.010
  345    HB2  LEU  50           HB2      LEU  50  30.427   7.036  18.619
  346    HB3  LEU  50           HB1      LEU  50  30.673   5.397  19.221
  347    HG   LEU  50           HG       LEU  50  33.070   6.178  17.900
  348   HD11  LEU  50          HD11      LEU  50  33.700   8.177  19.158
  349   HD12  LEU  50          HD12      LEU  50  32.126   8.200  19.956
  350   HD13  LEU  50          HD13      LEU  50  32.242   8.510  18.223
  351   HD21  LEU  50          HD21      LEU  50  32.916   4.594  19.761
  352   HD22  LEU  50          HD22      LEU  50  32.347   5.872  20.833
  353   HD23  LEU  50          HD23      LEU  50  33.993   5.917  20.203
  354    H    TRP  51           HN       TRP  51  29.374   6.709  15.355
  355    HA   TRP  51           HA       TRP  51  26.872   5.557  16.345
  356    HB2  TRP  51           HB2      TRP  51  26.320   7.705  15.861
  357    HB3  TRP  51           HB1      TRP  51  27.640   7.891  14.707
  358    HD1  TRP  51           HD1      TRP  51  24.106   6.404  14.977
  359    HE1  TRP  51           HE1      TRP  51  23.103   6.252  12.606
  360    HE3  TRP  51           HE3      TRP  51  28.152   7.840  12.212
  361    HZ2  TRP  51           HZ2      TRP  51  23.910   6.682   9.896
  362    HZ3  TRP  51           HZ3      TRP  51  28.008   7.960   9.741
  363    HH2  TRP  51           HH2      TRP  51  25.893   7.384   8.581
  364    H    THR  52           HN       THR  52  28.523   5.915  13.197
  365    HA   THR  52           HA       THR  52  26.906   4.283  11.662
  366    HB   THR  52           HB       THR  52  28.497   5.301  10.361
  367    HG1  THR  52           HG1      THR  52  30.317   3.525  10.228
  368   HG21  THR  52          HG21      THR  52  30.290   4.803  12.714
  369   HG22  THR  52          HG22      THR  52  29.917   6.322  11.898
  370   HG23  THR  52          HG23      THR  52  31.005   5.158  11.143
  371    H    VAL  53           HN       VAL  53  29.728   3.330  13.615
  372    HA   VAL  53           HA       VAL  53  29.693   0.591  12.993
  373    HB   VAL  53           HB       VAL  53  30.638   2.075  15.450
  374   HG11  VAL  53          HG11      VAL  53  31.974  -0.158  15.716
  375   HG12  VAL  53          HG12      VAL  53  30.672  -0.853  14.749
  376   HG13  VAL  53          HG13      VAL  53  30.309  -0.088  16.297
  377   HG21  VAL  53          HG21      VAL  53  32.865   1.538  14.439
  378   HG22  VAL  53          HG22      VAL  53  31.876   2.567  13.403
  379   HG23  VAL  53          HG23      VAL  53  32.031   0.846  13.048
  380    H    PHE  54           HN       PHE  54  27.739   2.496  15.161
  381    HA   PHE  54           HA       PHE  54  26.769   0.549  16.902
  382    HB2  PHE  54           HB2      PHE  54  26.310   3.142  16.718
  383    HB3  PHE  54           HB1      PHE  54  24.896   2.608  15.808
  384    HD1  PHE  54           HD1      PHE  54  26.707   2.139  19.039
  385    HD2  PHE  54           HD2      PHE  54  22.997   1.735  16.913
  386    HE1  PHE  54           HE1      PHE  54  25.553   1.569  21.159
  387    HE2  PHE  54           HE2      PHE  54  21.843   1.165  19.033
  388    HZ   PHE  54           HZ       PHE  54  23.122   1.081  21.157
  389    H    ARG  55           HN       ARG  55  25.832   1.305  13.587
  390    HA   ARG  55           HA       ARG  55  23.737  -0.745  13.649
  391    HB2  ARG  55           HB2      ARG  55  24.566   1.133  11.422
  392    HB3  ARG  55           HB1      ARG  55  23.148   0.084  11.424
  393    HG2  ARG  55           HG2      ARG  55  22.082   1.909  12.266
  394    HG3  ARG  55           HG1      ARG  55  22.817   1.412  13.791
  395    HD2  ARG  55           HD2      ARG  55  24.829   2.825  13.144
  396    HD3  ARG  55           HD1      ARG  55  23.851   3.471  11.830
  397    HE   ARG  55           HE       ARG  55  23.645   4.169  14.605
  398   HH11  ARG  55          HH21      ARG  55  21.888   3.721  11.657
  399   HH12  ARG  55          HH22      ARG  55  20.628   4.831  12.078
  400   HH21  ARG  55          HH11      ARG  55  21.995   5.626  15.164
  401   HH22  ARG  55          HH12      ARG  55  20.688   5.909  14.063
  402    H    LYS  56           HN       LYS  56  26.858  -0.051  12.154
  403    HA   LYS  56           HA       LYS  56  26.962  -2.127  10.290
  404    HB2  LYS  56           HB2      LYS  56  28.651  -0.156  10.935
  405    HB3  LYS  56           HB1      LYS  56  29.442  -1.474  11.800
  406    HG2  LYS  56           HG2      LYS  56  30.429  -1.648   9.694
  407    HG3  LYS  56           HG1      LYS  56  29.088  -2.785   9.546
  408    HD2  LYS  56           HD2      LYS  56  28.699  -1.563   7.637
  409    HD3  LYS  56           HD1      LYS  56  27.815  -0.547   8.777
  410    HE2  LYS  56           HE2      LYS  56  29.207   0.963   7.590
  411    HE3  LYS  56           HE1      LYS  56  30.041   0.701   9.122
  412    HZ1  LYS  56           HZ1      LYS  56  31.510  -0.831   8.105
  413    HZ2  LYS  56           HZ2      LYS  56  31.470   0.540   7.103
  414    HZ3  LYS  56           HZ3      LYS  56  30.612  -0.860   6.667
  415    H    LYS  57           HN       LYS  57  26.574  -2.389  13.581
  416    HA   LYS  57           HA       LYS  57  28.188  -4.421  14.481
  417    HB2  LYS  57           HB2      LYS  57  25.579  -3.362  15.167
  418    HB3  LYS  57           HB1      LYS  57  25.640  -5.105  15.421
  419    HG2  LYS  57           HG2      LYS  57  27.768  -3.202  16.437
  420    HG3  LYS  57           HG1      LYS  57  26.393  -3.730  17.407
  421    HD2  LYS  57           HD2      LYS  57  27.377  -5.706  17.854
  422    HD3  LYS  57           HD1      LYS  57  27.687  -5.997  16.142
  423    HE2  LYS  57           HE2      LYS  57  29.765  -5.847  17.592
  424    HE3  LYS  57           HE1      LYS  57  29.737  -4.745  16.216
  425    HZ1  LYS  57           HZ1      LYS  57  28.514  -3.314  18.146
  426    HZ2  LYS  57           HZ2      LYS  57  30.158  -3.185  17.733
  427    HZ3  LYS  57           HZ3      LYS  57  29.680  -4.165  19.036
  428    H    GLY  58           HN       GLY  58  25.144  -4.784  12.663
  429    HA2  GLY  58           HA2      GLY  58  24.384  -6.483  11.307
  430    HA3  GLY  58           HA1      GLY  58  26.054  -7.034  11.197
  431    H    HIS  59           HN       HIS  59  24.992  -6.741  14.397
  432    HA   HIS  59           HA       HIS  59  24.744  -9.668  14.602
  433    HB2  HIS  59           HB2      HIS  59  25.719  -7.512  16.393
  434    HB3  HIS  59           HB1      HIS  59  24.874  -8.853  17.168
  435    HD2  HIS  59           HD2      HIS  59  28.109  -8.306  14.950
  436    HE1  HIS  59           HE1      HIS  59  28.308 -12.135  16.716
  437    HE2  HIS  59           HE2      HIS  59  29.574 -10.436  15.315
  438    H    HIS  60           HN       HIS  60  23.032  -6.671  15.138
  439    HA   HIS  60           HA       HIS  60  20.801  -6.263  15.531
  440    HB2  HIS  60           HB2      HIS  60  20.658  -8.434  14.041
  441    HB3  HIS  60           HB1      HIS  60  20.175  -9.188  15.561
  442    HD2  HIS  60           HD2      HIS  60  18.985  -5.902  13.617
  443    HE1  HIS  60           HE1      HIS  60  15.653  -7.749  15.436
  444    HE2  HIS  60           HE2      HIS  60  16.401  -5.805  13.983
  445    H    HIS  61           HN       HIS  61  22.825  -6.997  17.630
  446    HA   HIS  61           HA       HIS  61  22.919  -7.387  19.897
  447    HB2  HIS  61           HB2      HIS  61  21.588  -5.368  19.972
  448    HB3  HIS  61           HB1      HIS  61  20.114  -6.279  19.640
  449    HD2  HIS  61           HD2      HIS  61  22.535  -7.871  22.241
  450    HE1  HIS  61           HE1      HIS  61  19.316  -6.178  24.385
  451    HE2  HIS  61           HE2      HIS  61  21.372  -7.658  24.570
  452    H    HIS  62           HN       HIS  62  22.935  -9.739  19.192
  453    HA   HIS  62           HA       HIS  62  21.034 -11.179  20.830
  454    HB2  HIS  62           HB2      HIS  62  19.824 -10.939  18.664
  455    HB3  HIS  62           HB1      HIS  62  21.156 -11.775  17.865
  456    HD2  HIS  62           HD2      HIS  62  19.236 -12.815  21.209
  457    HE1  HIS  62           HE1      HIS  62  19.255 -16.079  18.532
  458    HE2  HIS  62           HE2      HIS  62  18.556 -15.310  20.849
  459    H    HIS  63           HN       HIS  63  21.773 -13.213  21.419
  460    HA   HIS  63           HA       HIS  63  23.906 -14.576  20.129
  461    HB2  HIS  63           HB2      HIS  63  25.044 -12.523  21.210
  462    HB3  HIS  63           HB1      HIS  63  24.746 -13.343  22.743
  463    HD2  HIS  63           HD2      HIS  63  26.810 -13.989  19.423
  464    HE1  HIS  63           HE1      HIS  63  28.227 -16.590  22.432
  465    HE2  HIS  63           HE2      HIS  63  28.609 -15.773  20.058
  466    H    HIS  64           HN       HIS  64  21.748 -15.786  20.702
  467    HA   HIS  64           HA       HIS  64  21.197 -16.673  23.293
  468    HB2  HIS  64           HB2      HIS  64  20.085 -17.107  20.854
  469    HB3  HIS  64           HB1      HIS  64  20.854 -18.669  21.141
  470    HD2  HIS  64           HD2      HIS  64  19.779 -20.144  23.332
  471    HE1  HIS  64           HE1      HIS  64  16.605 -17.476  24.126
  472    HE2  HIS  64           HE2      HIS  64  17.564 -19.764  24.663
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  82.226   4.602   8.585
    2    H2   MET   1           HT2      MET   1  82.805   5.688   7.414
    3    H3   MET   1           HT3      MET   1  83.187   4.036   7.307
    4    HA   MET   1           HA       MET   1  80.364   4.492   7.404
    5    HB2  MET   1           HB2      MET   1  81.761   5.421   4.898
    6    HB3  MET   1           HB1      MET   1  80.077   5.653   5.370
    7    HG2  MET   1           HG2      MET   1  81.209   6.923   7.424
    8    HG3  MET   1           HG1      MET   1  82.516   7.133   6.257
    9    HE1  MET   1           HE1      MET   1  82.158   7.882   3.860
   10    HE2  MET   1           HE2      MET   1  80.764   8.760   3.234
   11    HE3  MET   1           HE3      MET   1  80.644   7.028   3.532
   12    H    GLU   2           HN       GLU   2  81.690   2.224   7.796
   13    HA   GLU   2           HA       GLU   2  82.041   0.834   5.245
   14    HB2  GLU   2           HB2      GLU   2  82.323  -0.338   8.012
   15    HB3  GLU   2           HB1      GLU   2  83.018  -0.932   6.502
   16    HG2  GLU   2           HG2      GLU   2  84.189   1.400   6.410
   17    HG3  GLU   2           HG1      GLU   2  83.822   1.465   8.133
   18    H    GLU   3           HN       GLU   3  79.787   0.967   4.630
   19    HA   GLU   3           HA       GLU   3  77.578   0.112   6.016
   20    HB2  GLU   3           HB2      GLU   3  78.231  -0.382   3.101
   21    HB3  GLU   3           HB1      GLU   3  76.627  -0.548   3.815
   22    HG2  GLU   3           HG2      GLU   3  76.371   1.730   4.119
   23    HG3  GLU   3           HG1      GLU   3  78.106   2.013   4.260
   24    H    GLY   4           HN       GLY   4  76.532  -1.852   6.360
   25    HA2  GLY   4           HA2      GLY   4  76.771  -4.334   5.540
   26    HA3  GLY   4           HA1      GLY   4  78.311  -4.187   6.379
   27    H    GLY   5           HN       GLY   5  75.274  -2.677   7.352
   28    HA2  GLY   5           HA2      GLY   5  73.944  -4.192   9.009
   29    HA3  GLY   5           HA1      GLY   5  75.448  -4.099   9.921
   30    H    ASP   6           HN       ASP   6  75.330  -2.667  11.518
   31    HA   ASP   6           HA       ASP   6  74.669  -0.854  12.773
   32    HB2  ASP   6           HB2      ASP   6  76.201   0.041  10.835
   33    HB3  ASP   6           HB1      ASP   6  74.707   0.786  10.271
   34    H    PHE   7           HN       PHE   7  72.607  -2.337  10.911
   35    HA   PHE   7           HA       PHE   7  70.294  -1.143  11.925
   36    HB2  PHE   7           HB2      PHE   7  69.458  -0.250   9.620
   37    HB3  PHE   7           HB1      PHE   7  70.494   0.776  10.613
   38    HD1  PHE   7           HD2      PHE   7  70.660  -1.803   7.901
   39    HD2  PHE   7           HD1      PHE   7  72.492   1.626   9.727
   40    HE1  PHE   7           HE2      PHE   7  72.336  -1.728   6.076
   41    HE2  PHE   7           HE1      PHE   7  74.169   1.702   7.901
   42    HZ   PHE   7           HZ       PHE   7  74.090   0.025   6.076
   43    H    ASP   8           HN       ASP   8  71.762  -3.649  10.870
   44    HA   ASP   8           HA       ASP   8  70.212  -4.853   8.858
   45    HB2  ASP   8           HB2      ASP   8  71.019  -7.019   9.999
   46    HB3  ASP   8           HB1      ASP   8  72.244  -5.922   9.365
   47    H    ASN   9           HN       ASN   9  68.067  -4.045   9.562
   48    HA   ASN   9           HA       ASN   9  66.684  -6.124  11.054
   49    HB2  ASN   9           HB2      ASN   9  67.515  -4.049  12.555
   50    HB3  ASN   9           HB1      ASN   9  65.997  -3.382  11.957
   51   HD21  ASN   9          HD21      ASN   9  64.114  -5.188  12.068
   52   HD22  ASN   9          HD22      ASN   9  64.037  -6.022  13.544
   53    H    TYR  10           HN       TYR  10  66.701  -5.253   8.312
   54    HA   TYR  10           HA       TYR  10  65.191  -4.904   6.615
   55    HB2  TYR  10           HB2      TYR  10  62.961  -4.850   8.626
   56    HB3  TYR  10           HB1      TYR  10  62.953  -5.471   6.976
   57    HD1  TYR  10           HD1      TYR  10  64.519  -7.486   6.470
   58    HD2  TYR  10           HD2      TYR  10  63.325  -6.315  10.426
   59    HE1  TYR  10           HE1      TYR  10  65.094  -9.747   7.312
   60    HE2  TYR  10           HE2      TYR  10  63.899  -8.576  11.269
   61    HH   TYR  10           HH       TYR  10  65.712 -10.513  10.240
   62    H    TYR  11           HN       TYR  11  63.628  -3.218   9.343
   63    HA   TYR  11           HA       TYR  11  63.283  -0.964   9.715
   64    HB2  TYR  11           HB2      TYR  11  65.648  -0.886   8.480
   65    HB3  TYR  11           HB1      TYR  11  64.671  -0.143   7.212
   66    HD1  TYR  11           HD2      TYR  11  63.269   1.883   7.751
   67    HD2  TYR  11           HD1      TYR  11  66.175   0.292  10.485
   68    HE1  TYR  11           HE2      TYR  11  63.251   4.019   9.012
   69    HE2  TYR  11           HE1      TYR  11  66.158   2.428  11.746
   70    HH   TYR  11           HH       TYR  11  64.293   5.221  10.604
   71    H    GLY  12           HN       GLY  12  61.117  -0.876   9.383
   72    HA2  GLY  12           HA2      GLY  12  59.171  -0.181   8.351
   73    HA3  GLY  12           HA1      GLY  12  60.148   0.365   6.991
   74    H    ALA  13           HN       ALA  13  61.296  -1.786   5.965
   75    HA   ALA  13           HA       ALA  13  60.850  -3.455   4.437
   76    HB1  ALA  13           HB1      ALA  13  60.760  -4.513   6.858
   77    HB2  ALA  13           HB2      ALA  13  60.307  -5.463   5.442
   78    HB3  ALA  13           HB3      ALA  13  59.059  -4.740   6.455
   79    H    ASP  14           HN       ASP  14  59.169  -1.243   4.101
   80    HA   ASP  14           HA       ASP  14  57.132  -0.577   3.243
   81    HB2  ASP  14           HB2      ASP  14  58.237  -2.169   1.504
   82    HB3  ASP  14           HB1      ASP  14  56.975  -3.301   1.988
   83    H    ASN  15           HN       ASN  15  57.143  -2.196   5.802
   84    HA   ASN  15           HA       ASN  15  54.510  -3.483   5.672
   85    HB2  ASN  15           HB2      ASN  15  56.853  -4.046   7.091
   86    HB3  ASN  15           HB1      ASN  15  55.733  -3.418   8.300
   87   HD21  ASN  15          HD21      ASN  15  54.308  -4.943   9.140
   88   HD22  ASN  15          HD22      ASN  15  53.870  -6.390   8.369
   89    H    GLN  16           HN       GLN  16  56.111  -0.641   6.905
   90    HA   GLN  16           HA       GLN  16  53.503   0.379   7.816
   91    HB2  GLN  16           HB2      GLN  16  56.051   0.823   9.376
   92    HB3  GLN  16           HB1      GLN  16  54.403   1.226   9.856
   93    HG2  GLN  16           HG2      GLN  16  53.978  -1.347   9.539
   94    HG3  GLN  16           HG1      GLN  16  55.727  -1.466   9.720
   95   HE21  GLN  16          HE21      GLN  16  56.666  -0.786  11.799
   96   HE22  GLN  16          HE22      GLN  16  55.693  -0.642  13.181
   97    H    SER  17           HN       SER  17  54.720   0.917   5.362
   98    HA   SER  17           HA       SER  17  55.222   3.795   5.659
   99    HB2  SER  17           HB2      SER  17  57.395   2.353   5.428
  100    HB3  SER  17           HB1      SER  17  56.913   2.226   3.739
  101    HG   SER  17           HG       SER  17  58.012   4.303   5.069
  102    H    GLU  18           HN       GLU  18  55.738   4.384   3.017
  103    HA   GLU  18           HA       GLU  18  53.215   4.548   1.874
  104    HB2  GLU  18           HB2      GLU  18  55.978   4.693   0.677
  105    HB3  GLU  18           HB1      GLU  18  54.528   4.921  -0.302
  106    HG2  GLU  18           HG2      GLU  18  53.818   6.785   1.067
  107    HG3  GLU  18           HG1      GLU  18  55.119   6.491   2.219
  108    H    CYS  19           HN       CYS  19  52.198   2.511   1.991
  109    HA   CYS  19           HA       CYS  19  53.327   0.300   0.450
  110    HB2  CYS  19           HB2      CYS  19  52.292  -0.222   2.598
  111    HB3  CYS  19           HB1      CYS  19  50.780   0.517   2.072
  112    HG   CYS  19           HG       CYS  19  50.230  -1.518   0.752
  113    H    GLU  20           HN       GLU  20  50.197   2.025   0.548
  114    HA   GLU  20           HA       GLU  20  50.062   1.797  -2.387
  115    HB2  GLU  20           HB2      GLU  20  47.771   1.165  -0.510
  116    HB3  GLU  20           HB1      GLU  20  47.717   1.132  -2.272
  117    HG2  GLU  20           HG2      GLU  20  49.822  -0.496  -1.893
  118    HG3  GLU  20           HG1      GLU  20  48.971  -0.794  -0.380
  119    H    TYR  21           HN       TYR  21  50.164   3.784   0.173
  120    HA   TYR  21           HA       TYR  21  48.060   5.636  -0.609
  121    HB2  TYR  21           HB2      TYR  21  50.262   6.240   1.348
  122    HB3  TYR  21           HB1      TYR  21  48.609   6.854   1.318
  123    HD1  TYR  21           HD2      TYR  21  46.697   5.147   1.664
  124    HD2  TYR  21           HD1      TYR  21  50.804   4.346   2.637
  125    HE1  TYR  21           HE2      TYR  21  45.983   3.303   3.160
  126    HE2  TYR  21           HE1      TYR  21  50.090   2.501   4.132
  127    HH   TYR  21           HH       TYR  21  46.859   1.301   4.155
  128    H    THR  22           HN       THR  22  49.443   5.384  -2.821
  129    HA   THR  22           HA       THR  22  50.823   7.951  -3.070
  130    HB   THR  22           HB       THR  22  52.738   6.999  -4.217
  131    HG1  THR  22           HG1      THR  22  52.806   4.955  -4.780
  132   HG21  THR  22          HG21      THR  22  52.703   7.146  -1.689
  133   HG22  THR  22          HG22      THR  22  53.837   5.966  -2.347
  134   HG23  THR  22          HG23      THR  22  52.301   5.429  -1.668
  135    H    ASP  23           HN       ASP  23  49.450   5.081  -4.593
  136    HA   ASP  23           HA       ASP  23  49.395   6.156  -7.240
  137    HB2  ASP  23           HB2      ASP  23  49.321   3.743  -6.838
  138    HB3  ASP  23           HB1      ASP  23  47.783   3.918  -5.994
  139    H    TRP  24           HN       TRP  24  46.661   5.395  -5.068
  140    HA   TRP  24           HA       TRP  24  44.867   7.095  -6.514
  141    HB2  TRP  24           HB2      TRP  24  43.234   6.472  -4.882
  142    HB3  TRP  24           HB1      TRP  24  44.221   5.042  -5.182
  143    HD1  TRP  24           HD1      TRP  24  46.380   4.784  -3.383
  144    HE1  TRP  24           HE1      TRP  24  46.334   5.136  -0.829
  145    HE3  TRP  24           HE3      TRP  24  42.162   7.630  -2.960
  146    HZ2  TRP  24           HZ2      TRP  24  44.722   6.452   1.133
  147    HZ3  TRP  24           HZ3      TRP  24  41.394   8.418  -0.739
  148    HH2  TRP  24           HH2      TRP  24  42.668   7.833   1.306
  149    H    LYS  25           HN       LYS  25  46.969   8.705  -5.963
  150    HA   LYS  25           HA       LYS  25  46.858  10.152  -3.546
  151    HB2  LYS  25           HB2      LYS  25  48.411  10.218  -5.855
  152    HB3  LYS  25           HB1      LYS  25  47.601  11.784  -5.840
  153    HG2  LYS  25           HG2      LYS  25  49.622  12.052  -4.572
  154    HG3  LYS  25           HG1      LYS  25  48.298  12.001  -3.407
  155    HD2  LYS  25           HD2      LYS  25  49.034   9.316  -3.789
  156    HD3  LYS  25           HD1      LYS  25  50.556  10.201  -3.683
  157    HE2  LYS  25           HE2      LYS  25  48.276  10.364  -1.689
  158    HE3  LYS  25           HE1      LYS  25  49.799   9.509  -1.444
  159    HZ1  LYS  25           HZ1      LYS  25  49.955  12.314  -2.229
  160    HZ2  LYS  25           HZ2      LYS  25  50.945  11.423  -1.173
  161    HZ3  LYS  25           HZ3      LYS  25  49.431  11.988  -0.649
  162    H    SER  26           HN       SER  26  44.468   9.808  -5.756
  163    HA   SER  26           HA       SER  26  42.921  11.962  -4.697
  164    HB2  SER  26           HB2      SER  26  44.120  12.252  -7.439
  165    HB3  SER  26           HB1      SER  26  42.569  12.990  -7.051
  166    HG   SER  26           HG       SER  26  44.576  14.256  -6.662
  167    H    SER  27           HN       SER  27  41.047  10.928  -4.467
  168    HA   SER  27           HA       SER  27  40.243   8.662  -5.929
  169    HB2  SER  27           HB2      SER  27  38.012  10.208  -4.877
  170    HB3  SER  27           HB1      SER  27  38.581   8.606  -4.418
  171    HG   SER  27           HG       SER  27  39.603  11.121  -3.581
  172    H    GLY  28           HN       GLY  28  40.522  11.780  -6.983
  173    HA2  GLY  28           HA2      GLY  28  39.948  11.888  -9.462
  174    HA3  GLY  28           HA1      GLY  28  38.308  11.533  -8.927
  175    H    ALA  29           HN       ALA  29  40.562  13.583  -7.171
  176    HA   ALA  29           HA       ALA  29  40.637  15.880  -6.877
  177    HB1  ALA  29           HB1      ALA  29  39.803  17.287  -8.482
  178    HB2  ALA  29           HB2      ALA  29  38.291  16.393  -8.634
  179    HB3  ALA  29           HB3      ALA  29  39.757  15.784  -9.403
  180    H    LEU  30           HN       LEU  30  38.855  13.868  -5.545
  181    HA   LEU  30           HA       LEU  30  36.681  15.623  -4.609
  182    HB2  LEU  30           HB2      LEU  30  37.120  12.662  -4.643
  183    HB3  LEU  30           HB1      LEU  30  36.084  13.343  -3.393
  184    HG   LEU  30           HG       LEU  30  34.858  12.636  -5.483
  185   HD11  LEU  30          HD11      LEU  30  34.540  14.968  -3.935
  186   HD12  LEU  30          HD12      LEU  30  33.323  14.193  -4.946
  187   HD13  LEU  30          HD13      LEU  30  34.325  15.483  -5.607
  188   HD21  LEU  30          HD21      LEU  30  36.853  13.530  -6.917
  189   HD22  LEU  30          HD22      LEU  30  36.025  15.082  -6.790
  190   HD23  LEU  30          HD23      LEU  30  35.211  13.708  -7.536
  191    H    ILE  31           HN       ILE  31  39.686  15.550  -3.889
  192    HA   ILE  31           HA       ILE  31  39.714  14.827  -1.105
  193    HB   ILE  31           HB       ILE  31  41.775  16.537  -2.487
  194   HG12  ILE  31          HG12      ILE  31  42.691  13.935  -2.615
  195   HG13  ILE  31          HG11      ILE  31  40.984  13.753  -3.021
  196   HG21  ILE  31          HG21      ILE  31  41.931  16.204  -0.035
  197   HG22  ILE  31          HG22      ILE  31  43.266  15.428  -0.887
  198   HG23  ILE  31          HG23      ILE  31  41.920  14.458  -0.285
  199   HD11  ILE  31          HD11      ILE  31  43.061  15.453  -4.407
  200   HD12  ILE  31          HD12      ILE  31  41.334  15.717  -4.643
  201   HD13  ILE  31          HD13      ILE  31  42.058  14.176  -5.096
  202    HA   PRO  32           HA       PRO  32  39.676  19.731  -0.795
  203    HB2  PRO  32           HB2      PRO  32  37.500  20.241  -2.742
  204    HB3  PRO  32           HB1      PRO  32  38.993  21.153  -2.454
  205    HG2  PRO  32           HG2      PRO  32  38.653  19.643  -4.632
  206    HG3  PRO  32           HG1      PRO  32  40.232  19.826  -3.847
  207    HD2  PRO  32           HD2      PRO  32  38.340  17.507  -3.757
  208    HD3  PRO  32           HD1      PRO  32  40.116  17.515  -3.769
  209    H    ALA  33           HN       ALA  33  37.546  17.224  -0.700
  210    HA   ALA  33           HA       ALA  33  35.774  18.657   1.171
  211    HB1  ALA  33           HB1      ALA  33  33.946  17.047   0.247
  212    HB2  ALA  33           HB2      ALA  33  34.985  16.957  -1.175
  213    HB3  ALA  33           HB3      ALA  33  34.331  18.511  -0.657
  214    H    ILE  34           HN       ILE  34  36.764  15.464  -0.063
  215    HA   ILE  34           HA       ILE  34  35.859  13.901   2.061
  216    HB   ILE  34           HB       ILE  34  38.214  13.580   0.201
  217   HG12  ILE  34          HG12      ILE  34  35.626  12.021   0.399
  218   HG13  ILE  34          HG11      ILE  34  35.797  13.454  -0.614
  219   HG21  ILE  34          HG21      ILE  34  37.346  11.954   2.553
  220   HG22  ILE  34          HG22      ILE  34  38.965  12.212   1.904
  221   HG23  ILE  34          HG23      ILE  34  37.863  11.091   1.104
  222   HD11  ILE  34          HD11      ILE  34  37.728  12.362  -1.761
  223   HD12  ILE  34          HD12      ILE  34  36.220  11.471  -1.967
  224   HD13  ILE  34          HD13      ILE  34  37.428  10.905  -0.812
  225    H    TYR  35           HN       TYR  35  39.296  14.725   1.595
  226    HA   TYR  35           HA       TYR  35  40.197  14.110   4.122
  227    HB2  TYR  35           HB2      TYR  35  41.818  14.637   2.476
  228    HB3  TYR  35           HB1      TYR  35  41.107  16.222   2.169
  229    HD1  TYR  35           HD2      TYR  35  42.915  14.187   4.709
  230    HD2  TYR  35           HD1      TYR  35  41.695  18.119   3.483
  231    HE1  TYR  35           HE2      TYR  35  44.380  15.183   6.446
  232    HE2  TYR  35           HE1      TYR  35  43.159  19.114   5.220
  233    HH   TYR  35           HH       TYR  35  45.538  17.932   6.515
  234    H    MET  36           HN       MET  36  38.461  16.963   3.061
  235    HA   MET  36           HA       MET  36  38.952  18.535   5.395
  236    HB2  MET  36           HB2      MET  36  38.206  19.444   3.176
  237    HB3  MET  36           HB1      MET  36  36.617  18.743   3.483
  238    HG2  MET  36           HG2      MET  36  36.086  20.598   4.639
  239    HG3  MET  36           HG1      MET  36  37.300  20.142   5.835
  240    HE1  MET  36           HE1      MET  36  40.051  20.326   4.337
  241    HE2  MET  36           HE2      MET  36  39.593  20.836   5.960
  242    HE3  MET  36           HE3      MET  36  40.457  21.951   4.905
  243    H    LEU  37           HN       LEU  37  35.858  17.132   4.301
  244    HA   LEU  37           HA       LEU  37  34.743  17.215   6.938
  245    HB2  LEU  37           HB2      LEU  37  33.709  15.631   4.583
  246    HB3  LEU  37           HB1      LEU  37  32.792  16.245   5.959
  247    HG   LEU  37           HG       LEU  37  34.187  17.932   3.859
  248   HD11  LEU  37          HD11      LEU  37  31.834  18.616   3.326
  249   HD12  LEU  37          HD12      LEU  37  31.264  17.371   4.437
  250   HD13  LEU  37          HD13      LEU  37  32.157  16.916   2.987
  251   HD21  LEU  37          HD21      LEU  37  32.714  19.711   5.124
  252   HD22  LEU  37          HD22      LEU  37  34.281  19.248   5.789
  253   HD23  LEU  37          HD23      LEU  37  32.801  18.555   6.454
  254    H    VAL  38           HN       VAL  38  37.099  15.851   7.185
  255    HA   VAL  38           HA       VAL  38  36.143  13.214   8.028
  256    HB   VAL  38           HB       VAL  38  38.340  13.709   6.041
  257   HG11  VAL  38          HG11      VAL  38  39.575  12.488   7.627
  258   HG12  VAL  38          HG12      VAL  38  38.923  11.226   6.582
  259   HG13  VAL  38          HG13      VAL  38  38.168  11.555   8.142
  260   HG21  VAL  38          HG21      VAL  38  36.068  13.015   5.296
  261   HG22  VAL  38          HG22      VAL  38  36.193  11.578   6.312
  262   HG23  VAL  38          HG23      VAL  38  37.282  11.786   4.940
  263    H    PHE  39           HN       PHE  39  38.504  15.791   8.136
  264    HA   PHE  39           HA       PHE  39  39.949  14.607  10.367
  265    HB2  PHE  39           HB2      PHE  39  41.408  15.819   9.027
  266    HB3  PHE  39           HB1      PHE  39  40.229  17.094   8.718
  267    HD1  PHE  39           HD1      PHE  39  41.522  15.504  11.863
  268    HD2  PHE  39           HD2      PHE  39  40.988  19.119   9.604
  269    HE1  PHE  39           HE1      PHE  39  42.454  16.818  13.747
  270    HE2  PHE  39           HE2      PHE  39  41.920  20.433  11.489
  271    HZ   PHE  39           HZ       PHE  39  42.653  19.283  13.560
  272    H    LEU  40           HN       LEU  40  37.536  17.090   9.780
  273    HA   LEU  40           HA       LEU  40  37.317  17.515  12.703
  274    HB2  LEU  40           HB2      LEU  40  36.488  19.767  12.208
  275    HB3  LEU  40           HB1      LEU  40  38.093  19.534  11.516
  276    HG   LEU  40           HG       LEU  40  36.328  18.641   9.531
  277   HD11  LEU  40          HD11      LEU  40  34.492  19.754  10.781
  278   HD12  LEU  40          HD12      LEU  40  34.792  20.533   9.226
  279   HD13  LEU  40          HD13      LEU  40  35.386  21.274  10.712
  280   HD21  LEU  40          HD21      LEU  40  37.800  21.268   9.906
  281   HD22  LEU  40          HD22      LEU  40  37.094  20.744   8.378
  282   HD23  LEU  40          HD23      LEU  40  38.409  19.820   9.103
  283    H    LEU  41           HN       LEU  41  35.948  15.822  10.371
  284    HA   LEU  41           HA       LEU  41  33.278  16.046  11.563
  285    HB2  LEU  41           HB2      LEU  41  33.551  17.417   9.351
  286    HB3  LEU  41           HB1      LEU  41  33.488  15.833   8.578
  287    HG   LEU  41           HG       LEU  41  31.396  15.533  10.209
  288   HD11  LEU  41          HD11      LEU  41  31.310  18.494   9.594
  289   HD12  LEU  41          HD12      LEU  41  31.850  17.865  11.150
  290   HD13  LEU  41          HD13      LEU  41  30.201  17.567  10.603
  291   HD21  LEU  41          HD21      LEU  41  29.964  16.295   8.329
  292   HD22  LEU  41          HD22      LEU  41  31.341  15.353   7.755
  293   HD23  LEU  41          HD23      LEU  41  31.356  17.111   7.616
  294    H    GLY  42           HN       GLY  42  35.785  14.163  11.049
  295    HA2  GLY  42           HA2      GLY  42  34.287  11.802  10.116
  296    HA3  GLY  42           HA1      GLY  42  36.041  11.933  10.209
  297    H    THR  43           HN       THR  43  35.978  13.146  12.883
  298    HA   THR  43           HA       THR  43  34.917  10.955  14.534
  299    HB   THR  43           HB       THR  43  37.257  10.377  14.057
  300    HG1  THR  43           HG1      THR  43  37.631  11.237  16.596
  301   HG21  THR  43          HG21      THR  43  37.856  12.878  13.730
  302   HG22  THR  43          HG22      THR  43  39.060  11.831  14.482
  303   HG23  THR  43          HG23      THR  43  38.076  12.902  15.480
  304    H    THR  44           HN       THR  44  36.574  14.104  14.513
  305    HA   THR  44           HA       THR  44  36.023  14.874  17.142
  306    HB   THR  44           HB       THR  44  36.476  16.414  14.600
  307    HG1  THR  44           HG1      THR  44  38.099  16.995  16.599
  308   HG21  THR  44          HG21      THR  44  36.663  18.410  16.268
  309   HG22  THR  44          HG22      THR  44  35.609  17.435  17.294
  310   HG23  THR  44          HG23      THR  44  35.065  17.936  15.692
  311    H    GLY  45           HN       GLY  45  34.045  15.074  14.229
  312    HA2  GLY  45           HA2      GLY  45  32.016  16.761  14.945
  313    HA3  GLY  45           HA1      GLY  45  31.752  15.290  14.012
  314    H    ASN  46           HN       ASN  46  32.464  13.403  15.990
  315    HA   ASN  46           HA       ASN  46  30.868  13.887  18.357
  316    HB2  ASN  46           HB2      ASN  46  29.525  12.942  16.114
  317    HB3  ASN  46           HB1      ASN  46  29.854  11.488  17.056
  318   HD21  ASN  46          HD21      ASN  46  28.852  14.887  17.799
  319   HD22  ASN  46          HD22      ASN  46  27.627  14.432  18.881
  320    H    GLY  47           HN       GLY  47  32.422  13.203  19.728
  321    HA2  GLY  47           HA2      GLY  47  32.847  10.614  20.426
  322    HA3  GLY  47           HA1      GLY  47  34.056  10.885  19.174
  323    H    LEU  48           HN       LEU  48  32.838  13.140  21.628
  324    HA   LEU  48           HA       LEU  48  35.591  13.353  22.701
  325    HB2  LEU  48           HB2      LEU  48  33.468  15.505  22.708
  326    HB3  LEU  48           HB1      LEU  48  35.164  15.676  23.163
  327    HG   LEU  48           HG       LEU  48  34.144  14.955  20.398
  328   HD11  LEU  48          HD11      LEU  48  35.533  17.472  21.361
  329   HD12  LEU  48          HD12      LEU  48  33.789  17.337  21.134
  330   HD13  LEU  48          HD13      LEU  48  34.872  17.173  19.752
  331   HD21  LEU  48          HD21      LEU  48  36.243  13.933  20.520
  332   HD22  LEU  48          HD22      LEU  48  36.872  15.132  21.649
  333   HD23  LEU  48          HD23      LEU  48  36.673  15.543  19.946
  334    H    VAL  49           HN       VAL  49  32.205  12.964  23.395
  335    HA   VAL  49           HA       VAL  49  32.446  13.379  26.236
  336    HB   VAL  49           HB       VAL  49  30.320  13.772  25.064
  337   HG11  VAL  49          HG11      VAL  49  29.131  12.079  23.950
  338   HG12  VAL  49          HG12      VAL  49  30.038  10.791  24.743
  339   HG13  VAL  49          HG13      VAL  49  30.800  11.759  23.481
  340   HG21  VAL  49          HG21      VAL  49  29.083  13.086  26.860
  341   HG22  VAL  49          HG22      VAL  49  30.649  12.595  27.504
  342   HG23  VAL  49          HG23      VAL  49  29.612  11.411  26.709
  343    H    LEU  50           HN       LEU  50  33.956  11.198  24.567
  344    HA   LEU  50           HA       LEU  50  33.670   9.131  26.632
  345    HB2  LEU  50           HB2      LEU  50  33.951   7.455  24.623
  346    HB3  LEU  50           HB1      LEU  50  32.352   8.059  25.056
  347    HG   LEU  50           HG       LEU  50  32.505   9.784  23.319
  348   HD11  LEU  50          HD11      LEU  50  34.494   9.527  21.690
  349   HD12  LEU  50          HD12      LEU  50  35.281   8.640  22.995
  350   HD13  LEU  50          HD13      LEU  50  34.812  10.323  23.231
  351   HD21  LEU  50          HD21      LEU  50  32.332   8.345  21.393
  352   HD22  LEU  50          HD22      LEU  50  31.721   7.437  22.777
  353   HD23  LEU  50          HD23      LEU  50  33.340   7.115  22.155
  354    H    TRP  51           HN       TRP  51  35.626  11.233  25.189
  355    HA   TRP  51           HA       TRP  51  37.953   9.429  25.027
  356    HB2  TRP  51           HB2      TRP  51  38.269  10.645  23.148
  357    HB3  TRP  51           HB1      TRP  51  37.175  11.921  23.680
  358    HD1  TRP  51           HD1      TRP  51  40.696  10.633  24.664
  359    HE1  TRP  51           HE1      TRP  51  42.172  12.680  25.195
  360    HE3  TRP  51           HE3      TRP  51  37.294  14.378  23.974
  361    HZ2  TRP  51           HZ2      TRP  51  41.940  15.528  25.312
  362    HZ3  TRP  51           HZ3      TRP  51  37.948  16.746  24.301
  363    HH2  TRP  51           HH2      TRP  51  40.264  17.325  24.969
  364    H    THR  52           HN       THR  52  37.222  12.730  26.186
  365    HA   THR  52           HA       THR  52  39.454  12.842  27.938
  366    HB   THR  52           HB       THR  52  38.289  14.853  27.081
  367    HG1  THR  52           HG1      THR  52  39.448  15.202  28.902
  368   HG21  THR  52          HG21      THR  52  36.113  15.450  27.773
  369   HG22  THR  52          HG22      THR  52  36.112  14.267  29.081
  370   HG23  THR  52          HG23      THR  52  35.985  13.730  27.407
  371    H    VAL  53           HN       VAL  53  36.009  12.144  28.462
  372    HA   VAL  53           HA       VAL  53  35.896  11.920  31.198
  373    HB   VAL  53           HB       VAL  53  34.558  10.322  29.020
  374   HG11  VAL  53          HG11      VAL  53  33.000   9.643  30.985
  375   HG12  VAL  53          HG12      VAL  53  34.380  10.020  32.015
  376   HG13  VAL  53          HG13      VAL  53  34.514   8.760  30.787
  377   HG21  VAL  53          HG21      VAL  53  32.606  11.637  29.745
  378   HG22  VAL  53          HG22      VAL  53  33.945  12.707  29.330
  379   HG23  VAL  53          HG23      VAL  53  33.569  12.380  31.022
  380    H    PHE  54           HN       PHE  54  37.689   9.969  28.999
  381    HA   PHE  54           HA       PHE  54  37.896   7.622  30.625
  382    HB2  PHE  54           HB2      PHE  54  38.529   8.214  28.034
  383    HB3  PHE  54           HB1      PHE  54  40.123   8.197  28.787
  384    HD1  PHE  54           HD2      PHE  54  39.887   6.200  30.888
  385    HD2  PHE  54           HD1      PHE  54  38.263   6.171  26.911
  386    HE1  PHE  54           HE2      PHE  54  39.848   3.721  30.923
  387    HE2  PHE  54           HE1      PHE  54  38.224   3.691  26.946
  388    HZ   PHE  54           HZ       PHE  54  39.016   2.467  28.952
  389    H    ARG  55           HN       ARG  55  40.435   9.986  29.762
  390    HA   ARG  55           HA       ARG  55  42.329   9.272  31.627
  391    HB2  ARG  55           HB2      ARG  55  41.656  12.074  30.696
  392    HB3  ARG  55           HB1      ARG  55  43.167  11.588  31.463
  393    HG2  ARG  55           HG2      ARG  55  43.946  11.081  29.410
  394    HG3  ARG  55           HG1      ARG  55  42.795   9.745  29.381
  395    HD2  ARG  55           HD2      ARG  55  41.083  11.219  28.414
  396    HD3  ARG  55           HD1      ARG  55  42.203  12.577  28.474
  397    HE   ARG  55           HE       ARG  55  43.148  11.775  26.522
  398   HH11  ARG  55          HH21      ARG  55  41.467   9.248  28.185
  399   HH12  ARG  55          HH22      ARG  55  41.720   8.071  26.940
  400   HH21  ARG  55          HH11      ARG  55  43.486  10.237  24.885
  401   HH22  ARG  55          HH12      ARG  55  42.864   8.631  25.072
  402    H    LYS  56           HN       LYS  56  39.247  10.518  32.231
  403    HA   LYS  56           HA       LYS  56  39.954  11.014  35.056
  404    HB2  LYS  56           HB2      LYS  56  38.118  12.761  35.046
  405    HB3  LYS  56           HB1      LYS  56  39.578  13.200  34.162
  406    HG2  LYS  56           HG2      LYS  56  37.872  11.816  32.356
  407    HG3  LYS  56           HG1      LYS  56  36.893  13.021  33.185
  408    HD2  LYS  56           HD2      LYS  56  39.550  13.580  31.836
  409    HD3  LYS  56           HD1      LYS  56  37.969  13.942  31.143
  410    HE2  LYS  56           HE2      LYS  56  37.953  15.899  32.248
  411    HE3  LYS  56           HE1      LYS  56  37.990  15.016  33.775
  412    HZ1  LYS  56           HZ1      LYS  56  40.107  16.401  32.401
  413    HZ2  LYS  56           HZ2      LYS  56  40.544  14.846  32.927
  414    HZ3  LYS  56           HZ3      LYS  56  39.964  15.992  34.041
  415    H    LYS  57           HN       LYS  57  39.090   8.558  34.080
  416    HA   LYS  57           HA       LYS  57  36.405   7.991  33.973
  417    HB2  LYS  57           HB2      LYS  57  38.105   6.269  33.695
  418    HB3  LYS  57           HB1      LYS  57  38.563   6.412  35.392
  419    HG2  LYS  57           HG2      LYS  57  36.464   5.552  36.134
  420    HG3  LYS  57           HG1      LYS  57  35.747   5.725  34.531
  421    HD2  LYS  57           HD2      LYS  57  36.336   3.369  34.992
  422    HD3  LYS  57           HD1      LYS  57  37.282   4.011  33.649
  423    HE2  LYS  57           HE2      LYS  57  38.387   4.229  36.428
  424    HE3  LYS  57           HE1      LYS  57  38.475   2.676  35.594
  425    HZ1  LYS  57           HZ1      LYS  57  39.234   4.858  33.912
  426    HZ2  LYS  57           HZ2      LYS  57  40.072   3.422  34.265
  427    HZ3  LYS  57           HZ3      LYS  57  40.207   4.764  35.299
  428    H    GLY  58           HN       GLY  58  38.350   7.939  36.971
  429    HA2  GLY  58           HA2      GLY  58  37.681   8.959  39.018
  430    HA3  GLY  58           HA1      GLY  58  36.014   8.945  38.448
  431    H    HIS  59           HN       HIS  59  35.052   6.725  38.131
  432    HA   HIS  59           HA       HIS  59  35.028   5.289  40.512
  433    HB2  HIS  59           HB2      HIS  59  34.261   4.474  37.705
  434    HB3  HIS  59           HB1      HIS  59  33.971   3.454  39.114
  435    HD2  HIS  59           HD2      HIS  59  33.448   7.272  39.664
  436    HE1  HIS  59           HE1      HIS  59  29.625   5.509  39.351
  437    HE2  HIS  59           HE2      HIS  59  30.876   7.641  39.928
  438    H    HIS  60           HN       HIS  60  35.326   2.632  40.031
  439    HA   HIS  60           HA       HIS  60  38.106   2.246  39.146
  440    HB2  HIS  60           HB2      HIS  60  37.056   1.968  41.892
  441    HB3  HIS  60           HB1      HIS  60  38.034   0.617  41.320
  442    HD2  HIS  60           HD2      HIS  60  40.777   1.180  41.040
  443    HE1  HIS  60           HE1      HIS  60  40.564   5.250  42.141
  444    HE2  HIS  60           HE2      HIS  60  42.142   3.331  41.617
  445    H    HIS  61           HN       HIS  61  37.631   0.971  37.420
  446    HA   HIS  61           HA       HIS  61  35.616  -1.070  37.485
  447    HB2  HIS  61           HB2      HIS  61  37.163   0.220  35.509
  448    HB3  HIS  61           HB1      HIS  61  37.571  -1.493  35.412
  449    HD2  HIS  61           HD2      HIS  61  34.801  -2.999  35.750
  450    HE1  HIS  61           HE1      HIS  61  33.126  -0.221  33.048
  451    HE2  HIS  61           HE2      HIS  61  32.796  -2.480  34.161
  452    H    HIS  62           HN       HIS  62  36.290  -3.366  36.762
  453    HA   HIS  62           HA       HIS  62  38.224  -4.334  38.734
  454    HB2  HIS  62           HB2      HIS  62  35.917  -5.331  38.531
  455    HB3  HIS  62           HB1      HIS  62  36.396  -5.954  36.952
  456    HD2  HIS  62           HD2      HIS  62  35.994  -7.738  39.965
  457    HE1  HIS  62           HE1      HIS  62  39.986  -8.763  39.051
  458    HE2  HIS  62           HE2      HIS  62  37.960  -9.385  40.451
  459    H    HIS  63           HN       HIS  63  39.778  -3.162  37.058
  460    HA   HIS  63           HA       HIS  63  41.291  -5.236  35.820
  461    HB2  HIS  63           HB2      HIS  63  39.426  -4.863  34.140
  462    HB3  HIS  63           HB1      HIS  63  40.084  -3.245  33.894
  463    HD2  HIS  63           HD2      HIS  63  40.325  -6.040  31.759
  464    HE1  HIS  63           HE1      HIS  63  44.425  -5.169  32.266
  465    HE2  HIS  63           HE2      HIS  63  42.739  -6.422  30.839
  466    H    HIS  64           HN       HIS  64  42.139  -3.589  37.703
  467    HA   HIS  64           HA       HIS  64  43.196  -1.099  36.852
  468    HB2  HIS  64           HB2      HIS  64  42.874  -2.031  39.254
  469    HB3  HIS  64           HB1      HIS  64  44.454  -2.777  39.007
  470    HD2  HIS  64           HD2      HIS  64  46.370  -1.073  40.005
  471    HE1  HIS  64           HE1      HIS  64  44.554   2.588  38.944
  472    HE2  HIS  64           HE2      HIS  64  46.590   1.529  40.032
  Start of MODEL   21
    1    H1   MET   1           HT1      MET   1  27.493 -12.921  23.891
    2    H2   MET   1           HT2      MET   1  28.559 -14.167  24.338
    3    H3   MET   1           HT3      MET   1  29.082 -12.931  23.296
    4    HA   MET   1           HA       MET   1  28.539 -11.348  25.208
    5    HB2  MET   1           HB2      MET   1  28.760 -14.014  26.640
    6    HB3  MET   1           HB1      MET   1  28.743 -12.437  27.428
    7    HG2  MET   1           HG2      MET   1  26.522 -12.685  25.578
    8    HG3  MET   1           HG1      MET   1  26.507 -13.996  26.758
    9    HE1  MET   1           HE1      MET   1  24.125 -12.561  26.945
   10    HE2  MET   1           HE2      MET   1  24.699 -11.099  26.146
   11    HE3  MET   1           HE3      MET   1  24.010 -10.998  27.765
   12    H    GLU   2           HN       GLU   2  30.515 -12.007  23.343
   13    HA   GLU   2           HA       GLU   2  32.939 -12.502  24.941
   14    HB2  GLU   2           HB2      GLU   2  33.062 -12.134  21.988
   15    HB3  GLU   2           HB1      GLU   2  33.955 -13.249  23.024
   16    HG2  GLU   2           HG2      GLU   2  31.694 -14.422  23.408
   17    HG3  GLU   2           HG1      GLU   2  31.118 -13.495  22.023
   18    H    GLU   3           HN       GLU   3  31.663 -10.054  25.383
   19    HA   GLU   3           HA       GLU   3  32.448  -7.884  23.845
   20    HB2  GLU   3           HB2      GLU   3  32.300  -8.001  26.867
   21    HB3  GLU   3           HB1      GLU   3  32.221  -6.545  25.877
   22    HG2  GLU   3           HG2      GLU   3  30.202  -7.537  24.731
   23    HG3  GLU   3           HG1      GLU   3  30.233  -8.828  25.931
   24    H    GLY   4           HN       GLY   4  34.065  -6.165  24.873
   25    HA2  GLY   4           HA2      GLY   4  36.257  -5.558  25.222
   26    HA3  GLY   4           HA1      GLY   4  36.455  -7.084  26.077
   27    H    GLY   5           HN       GLY   5  35.703  -6.292  22.681
   28    HA2  GLY   5           HA2      GLY   5  37.008  -8.381  21.459
   29    HA3  GLY   5           HA1      GLY   5  36.823  -6.792  20.724
   30    H    ASP   6           HN       ASP   6  39.066  -8.999  21.227
   31    HA   ASP   6           HA       ASP   6  41.203  -7.771  22.556
   32    HB2  ASP   6           HB2      ASP   6  40.804 -10.063  20.850
   33    HB3  ASP   6           HB1      ASP   6  42.303  -9.241  20.423
   34    H    PHE   7           HN       PHE   7  39.599  -6.664  19.879
   35    HA   PHE   7           HA       PHE   7  41.636  -5.754  18.169
   36    HB2  PHE   7           HB2      PHE   7  39.410  -5.652  17.357
   37    HB3  PHE   7           HB1      PHE   7  38.860  -4.729  18.756
   38    HD1  PHE   7           HD2      PHE   7  40.782  -4.591  15.605
   39    HD2  PHE   7           HD1      PHE   7  39.278  -2.345  18.943
   40    HE1  PHE   7           HE2      PHE   7  41.299  -2.477  14.416
   41    HE2  PHE   7           HE1      PHE   7  39.796  -0.231  17.754
   42    HZ   PHE   7           HZ       PHE   7  40.807  -0.297  15.491
   43    H    ASP   8           HN       ASP   8  40.212  -4.336  21.078
   44    HA   ASP   8           HA       ASP   8  41.644  -1.863  20.863
   45    HB2  ASP   8           HB2      ASP   8  39.463  -2.604  22.257
   46    HB3  ASP   8           HB1      ASP   8  40.685  -2.774  23.515
   47    H    ASN   9           HN       ASN   9  43.178  -4.441  20.808
   48    HA   ASN   9           HA       ASN   9  44.619  -4.816  23.192
   49    HB2  ASN   9           HB2      ASN   9  46.399  -5.752  21.641
   50    HB3  ASN   9           HB1      ASN   9  44.800  -6.480  21.495
   51   HD21  ASN   9          HD21      ASN   9  46.261  -6.847  19.265
   52   HD22  ASN   9          HD22      ASN   9  45.829  -5.767  18.030
   53    H    TYR  10           HN       TYR  10  44.788  -2.344  20.774
   54    HA   TYR  10           HA       TYR  10  46.943  -1.044  22.293
   55    HB2  TYR  10           HB2      TYR  10  46.955  -1.595  19.324
   56    HB3  TYR  10           HB1      TYR  10  47.947  -0.336  20.061
   57    HD1  TYR  10           HD1      TYR  10  49.462  -1.034  22.048
   58    HD2  TYR  10           HD2      TYR  10  47.706  -3.822  19.292
   59    HE1  TYR  10           HE1      TYR  10  51.142  -2.738  22.702
   60    HE2  TYR  10           HE2      TYR  10  49.386  -5.526  19.945
   61    HH   TYR  10           HH       TYR  10  51.098  -6.004  21.267
   62    H    TYR  11           HN       TYR  11  44.920  -0.567  19.384
   63    HA   TYR  11           HA       TYR  11  43.554   1.169  18.754
   64    HB2  TYR  11           HB2      TYR  11  42.652   0.658  21.120
   65    HB3  TYR  11           HB1      TYR  11  43.537   2.102  21.616
   66    HD1  TYR  11           HD1      TYR  11  42.935   4.320  20.736
   67    HD2  TYR  11           HD2      TYR  11  40.708   0.806  19.670
   68    HE1  TYR  11           HE1      TYR  11  41.100   5.746  19.867
   69    HE2  TYR  11           HE2      TYR  11  38.874   2.231  18.802
   70    HH   TYR  11           HH       TYR  11  39.222   5.723  18.551
   71    H    GLY  12           HN       GLY  12  43.899   3.160  17.901
   72    HA2  GLY  12           HA2      GLY  12  45.051   5.064  17.316
   73    HA3  GLY  12           HA1      GLY  12  45.292   5.289  19.046
   74    H    ALA  13           HN       ALA  13  46.467   2.486  17.302
   75    HA   ALA  13           HA       ALA  13  49.180   3.065  18.157
   76    HB1  ALA  13           HB1      ALA  13  49.600   0.850  17.802
   77    HB2  ALA  13           HB2      ALA  13  48.636   0.795  16.325
   78    HB3  ALA  13           HB3      ALA  13  47.842   0.743  17.899
   79    H    ASP  14           HN       ASP  14  47.382   2.821  15.115
   80    HA   ASP  14           HA       ASP  14  49.519   3.101  13.329
   81    HB2  ASP  14           HB2      ASP  14  46.718   4.197  12.991
   82    HB3  ASP  14           HB1      ASP  14  47.864   3.820  11.705
   83    H    ASN  15           HN       ASN  15  48.551   5.230  15.691
   84    HA   ASN  15           HA       ASN  15  48.683   7.758  14.515
   85    HB2  ASN  15           HB2      ASN  15  49.253   6.684  17.246
   86    HB3  ASN  15           HB1      ASN  15  49.725   8.342  16.873
   87   HD21  ASN  15          HD21      ASN  15  48.113   9.679  17.710
   88   HD22  ASN  15          HD22      ASN  15  46.447   9.424  17.512
   89    H    GLN  16           HN       GLN  16  51.272   5.616  15.623
   90    HA   GLN  16           HA       GLN  16  53.284   7.550  14.697
   91    HB2  GLN  16           HB2      GLN  16  53.982   4.932  15.970
   92    HB3  GLN  16           HB1      GLN  16  54.815   6.483  16.069
   93    HG2  GLN  16           HG2      GLN  16  52.604   7.270  17.258
   94    HG3  GLN  16           HG1      GLN  16  52.381   5.547  17.553
   95   HE21  GLN  16          HE21      GLN  16  55.186   7.831  17.694
   96   HE22  GLN  16          HE22      GLN  16  55.723   7.291  19.213
   97    H    SER  17           HN       SER  17  51.746   6.359  12.688
   98    HA   SER  17           HA       SER  17  53.841   5.060  11.156
   99    HB2  SER  17           HB2      SER  17  52.015   3.436  12.516
  100    HB3  SER  17           HB1      SER  17  51.422   3.488  10.858
  101    HG   SER  17           HG       SER  17  53.477   2.129  11.831
  102    H    GLU  18           HN       GLU  18  52.338   4.142   9.041
  103    HA   GLU  18           HA       GLU  18  51.885   6.406   7.508
  104    HB2  GLU  18           HB2      GLU  18  50.419   4.810   6.102
  105    HB3  GLU  18           HB1      GLU  18  52.116   4.383   6.328
  106    HG2  GLU  18           HG2      GLU  18  51.628   2.587   7.650
  107    HG3  GLU  18           HG1      GLU  18  50.259   3.392   8.414
  108    H    CYS  19           HN       CYS  19  50.670   7.913   8.712
  109    HA   CYS  19           HA       CYS  19  47.860   7.215   9.245
  110    HB2  CYS  19           HB2      CYS  19  49.071   8.212  11.117
  111    HB3  CYS  19           HB1      CYS  19  49.510   9.598  10.120
  112    HG   CYS  19           HG       CYS  19  46.672   9.719   9.914
  113    H    GLU  20           HN       GLU  20  49.839   9.742   7.702
  114    HA   GLU  20           HA       GLU  20  47.676  10.174   5.763
  115    HB2  GLU  20           HB2      GLU  20  48.987  12.408   7.332
  116    HB3  GLU  20           HB1      GLU  20  47.831  12.613   6.016
  117    HG2  GLU  20           HG2      GLU  20  46.295  11.063   7.445
  118    HG3  GLU  20           HG1      GLU  20  47.368  11.500   8.773
  119    H    TYR  21           HN       TYR  21  49.801   8.772   5.056
  120    HA   TYR  21           HA       TYR  21  51.280  10.620   3.320
  121    HB2  TYR  21           HB2      TYR  21  52.706   8.426   4.822
  122    HB3  TYR  21           HB1      TYR  21  53.414   9.735   3.876
  123    HD1  TYR  21           HD2      TYR  21  53.078  12.137   4.675
  124    HD2  TYR  21           HD1      TYR  21  52.217   8.713   7.122
  125    HE1  TYR  21           HE2      TYR  21  53.143  13.568   6.699
  126    HE2  TYR  21           HE1      TYR  21  52.282  10.144   9.146
  127    HH   TYR  21           HH       TYR  21  52.368  13.595   8.955
  128    H    THR  22           HN       THR  22  49.142   8.419   3.204
  129    HA   THR  22           HA       THR  22  49.892   7.350   0.690
  130    HB   THR  22           HB       THR  22  51.384   5.915   1.955
  131    HG1  THR  22           HG1      THR  22  50.264   3.872   1.514
  132   HG21  THR  22          HG21      THR  22  48.947   5.055   3.534
  133   HG22  THR  22          HG22      THR  22  50.158   6.190   4.130
  134   HG23  THR  22          HG23      THR  22  50.611   4.522   3.778
  135    H    ASP  23           HN       ASP  23  47.918   7.056   3.593
  136    HA   ASP  23           HA       ASP  23  45.741   5.736   2.224
  137    HB2  ASP  23           HB2      ASP  23  45.392   5.170   4.371
  138    HB3  ASP  23           HB1      ASP  23  46.414   6.479   4.962
  139    H    TRP  24           HN       TRP  24  46.829   8.949   2.581
  140    HA   TRP  24           HA       TRP  24  44.167  10.066   2.014
  141    HB2  TRP  24           HB2      TRP  24  44.962  12.121   2.766
  142    HB3  TRP  24           HB1      TRP  24  45.844  10.993   3.795
  143    HD1  TRP  24           HD1      TRP  24  48.394  10.390   3.009
  144    HE1  TRP  24           HE1      TRP  24  50.133  11.866   1.804
  145    HE3  TRP  24           HE3      TRP  24  45.324  14.003   1.111
  146    HZ2  TRP  24           HZ2      TRP  24  50.211  14.261   0.243
  147    HZ3  TRP  24           HZ3      TRP  24  46.256  15.868  -0.229
  148    HH2  TRP  24           HH2      TRP  24  48.692  16.001  -0.665
  149    H    LYS  25           HN       LYS  25  45.845   8.520   0.082
  150    HA   LYS  25           HA       LYS  25  47.187   9.945  -1.813
  151    HB2  LYS  25           HB2      LYS  25  45.940   7.441  -1.708
  152    HB3  LYS  25           HB1      LYS  25  45.242   8.235  -3.119
  153    HG2  LYS  25           HG2      LYS  25  47.231   7.105  -3.866
  154    HG3  LYS  25           HG1      LYS  25  47.603   8.828  -3.830
  155    HD2  LYS  25           HD2      LYS  25  48.193   7.904  -1.244
  156    HD3  LYS  25           HD1      LYS  25  48.823   6.664  -2.329
  157    HE2  LYS  25           HE2      LYS  25  49.397   9.634  -2.546
  158    HE3  LYS  25           HE1      LYS  25  50.508   8.426  -1.904
  159    HZ1  LYS  25           HZ1      LYS  25  49.717   8.945  -4.656
  160    HZ2  LYS  25           HZ2      LYS  25  49.918   7.315  -4.226
  161    HZ3  LYS  25           HZ3      LYS  25  51.202   8.410  -4.036
  162    H    SER  26           HN       SER  26  46.685  11.199  -3.609
  163    HA   SER  26           HA       SER  26  44.059  12.524  -3.473
  164    HB2  SER  26           HB2      SER  26  45.172  14.269  -4.884
  165    HB3  SER  26           HB1      SER  26  45.928  14.044  -3.310
  166    HG   SER  26           HG       SER  26  46.877  13.519  -5.843
  167    H    SER  27           HN       SER  27  42.820  11.003  -4.605
  168    HA   SER  27           HA       SER  27  43.459   9.757  -7.011
  169    HB2  SER  27           HB2      SER  27  41.057   9.466  -7.320
  170    HB3  SER  27           HB1      SER  27  41.476   9.212  -5.629
  171    HG   SER  27           HG       SER  27  39.740  10.918  -6.624
  172    H    GLY  28           HN       GLY  28  43.003  13.054  -6.399
  173    HA2  GLY  28           HA2      GLY  28  43.769  14.187  -8.670
  174    HA3  GLY  28           HA1      GLY  28  42.135  13.706  -9.114
  175    H    ALA  29           HN       ALA  29  43.775  15.278  -6.354
  176    HA   ALA  29           HA       ALA  29  43.059  16.984  -4.970
  177    HB1  ALA  29           HB1      ALA  29  43.666  17.985  -7.358
  178    HB2  ALA  29           HB2      ALA  29  43.002  19.000  -6.077
  179    HB3  ALA  29           HB3      ALA  29  41.949  18.390  -7.355
  180    H    LEU  30           HN       LEU  30  41.169  14.896  -5.170
  181    HA   LEU  30           HA       LEU  30  38.642  16.414  -4.900
  182    HB2  LEU  30           HB2      LEU  30  38.570  15.031  -6.927
  183    HB3  LEU  30           HB1      LEU  30  38.990  13.606  -5.978
  184    HG   LEU  30           HG       LEU  30  36.709  15.086  -4.878
  185   HD11  LEU  30          HD11      LEU  30  36.246  15.530  -7.235
  186   HD12  LEU  30          HD12      LEU  30  35.132  14.297  -6.644
  187   HD13  LEU  30          HD13      LEU  30  36.516  13.834  -7.633
  188   HD21  LEU  30          HD21      LEU  30  37.545  12.767  -4.267
  189   HD22  LEU  30          HD22      LEU  30  36.947  12.219  -5.833
  190   HD23  LEU  30          HD23      LEU  30  35.823  12.858  -4.633
  191    H    ILE  31           HN       ILE  31  40.827  14.030  -3.646
  192    HA   ILE  31           HA       ILE  31  39.089  12.866  -1.726
  193    HB   ILE  31           HB       ILE  31  41.930  12.742  -2.409
  194   HG12  ILE  31          HG12      ILE  31  41.567  10.393  -1.805
  195   HG13  ILE  31          HG11      ILE  31  40.013  10.807  -1.080
  196   HG21  ILE  31          HG21      ILE  31  42.320  13.588  -0.161
  197   HG22  ILE  31          HG22      ILE  31  42.599  11.849  -0.158
  198   HG23  ILE  31          HG23      ILE  31  41.101  12.495   0.504
  199   HD11  ILE  31          HD11      ILE  31  40.294  11.799  -3.825
  200   HD12  ILE  31          HD12      ILE  31  38.976  10.884  -3.091
  201   HD13  ILE  31          HD13      ILE  31  40.395  10.041  -3.712
  202    HA   PRO  32           HA       PRO  32  41.183  16.212   1.199
  203    HB2  PRO  32           HB2      PRO  32  41.132  18.494  -0.703
  204    HB3  PRO  32           HB1      PRO  32  42.365  18.045   0.490
  205    HG2  PRO  32           HG2      PRO  32  42.749  17.693  -2.126
  206    HG3  PRO  32           HG1      PRO  32  43.388  16.561  -0.923
  207    HD2  PRO  32           HD2      PRO  32  41.029  16.251  -2.737
  208    HD3  PRO  32           HD1      PRO  32  42.189  15.028  -2.175
  209    H    ALA  33           HN       ALA  33  38.918  17.115  -1.377
  210    HA   ALA  33           HA       ALA  33  37.323  18.912   0.078
  211    HB1  ALA  33           HB1      ALA  33  36.168  17.058  -1.985
  212    HB2  ALA  33           HB2      ALA  33  37.309  18.317  -2.455
  213    HB3  ALA  33           HB3      ALA  33  35.786  18.752  -1.678
  214    H    ILE  34           HN       ILE  34  36.516  15.522  -0.715
  215    HA   ILE  34           HA       ILE  34  34.355  15.270   1.026
  216    HB   ILE  34           HB       ILE  34  36.321  13.214   0.006
  217   HG12  ILE  34          HG12      ILE  34  33.426  13.458  -0.750
  218   HG13  ILE  34          HG11      ILE  34  34.588  14.584  -1.451
  219   HG21  ILE  34          HG21      ILE  34  35.460  12.141   1.904
  220   HG22  ILE  34          HG22      ILE  34  34.316  11.661   0.650
  221   HG23  ILE  34          HG23      ILE  34  33.901  12.954   1.775
  222   HD11  ILE  34          HD11      ILE  34  35.935  12.717  -2.289
  223   HD12  ILE  34          HD12      ILE  34  34.276  12.565  -2.869
  224   HD13  ILE  34          HD13      ILE  34  34.838  11.563  -1.531
  225    H    TYR  35           HN       TYR  35  37.809  14.805   1.607
  226    HA   TYR  35           HA       TYR  35  37.516  13.770   4.254
  227    HB2  TYR  35           HB2      TYR  35  39.591  13.244   3.394
  228    HB3  TYR  35           HB1      TYR  35  39.773  14.804   2.590
  229    HD1  TYR  35           HD2      TYR  35  39.602  13.245   5.990
  230    HD2  TYR  35           HD1      TYR  35  41.029  16.515   3.598
  231    HE1  TYR  35           HE2      TYR  35  40.901  14.093   7.924
  232    HE2  TYR  35           HE1      TYR  35  42.327  17.364   5.532
  233    HH   TYR  35           HH       TYR  35  41.971  15.982   8.732
  234    H    MET  36           HN       MET  36  37.848  16.987   2.873
  235    HA   MET  36           HA       MET  36  38.386  18.381   5.281
  236    HB2  MET  36           HB2      MET  36  37.493  19.091   2.539
  237    HB3  MET  36           HB1      MET  36  37.144  20.259   3.813
  238    HG2  MET  36           HG2      MET  36  39.883  19.038   3.409
  239    HG3  MET  36           HG1      MET  36  39.391  20.558   2.664
  240    HE1  MET  36           HE1      MET  36  38.246  22.335   3.841
  241    HE2  MET  36           HE2      MET  36  39.915  22.888   3.955
  242    HE3  MET  36           HE3      MET  36  38.852  23.024   5.353
  243    H    LEU  37           HN       LEU  37  35.337  17.955   3.471
  244    HA   LEU  37           HA       LEU  37  33.707  19.172   5.456
  245    HB2  LEU  37           HB2      LEU  37  32.825  17.133   3.407
  246    HB3  LEU  37           HB1      LEU  37  31.846  18.385   4.172
  247    HG   LEU  37           HG       LEU  37  34.201  18.871   2.323
  248   HD11  LEU  37          HD11      LEU  37  32.248  19.942   0.968
  249   HD12  LEU  37          HD12      LEU  37  31.209  18.928   1.969
  250   HD13  LEU  37          HD13      LEU  37  32.430  18.188   0.933
  251   HD21  LEU  37          HD21      LEU  37  34.182  20.728   3.746
  252   HD22  LEU  37          HD22      LEU  37  32.436  20.653   3.984
  253   HD23  LEU  37          HD23      LEU  37  33.095  21.252   2.461
  254    H    VAL  38           HN       VAL  38  35.155  16.074   5.201
  255    HA   VAL  38           HA       VAL  38  33.311  14.925   7.190
  256    HB   VAL  38           HB       VAL  38  35.435  13.647   5.455
  257   HG11  VAL  38          HG11      VAL  38  33.845  12.668   7.788
  258   HG12  VAL  38          HG12      VAL  38  35.477  12.232   7.281
  259   HG13  VAL  38          HG13      VAL  38  34.081  11.563   6.434
  260   HG21  VAL  38          HG21      VAL  38  33.038  14.444   4.623
  261   HG22  VAL  38          HG22      VAL  38  32.518  12.964   5.429
  262   HG23  VAL  38          HG23      VAL  38  33.696  12.888   4.119
  263    H    PHE  39           HN       PHE  39  36.281  16.494   6.960
  264    HA   PHE  39           HA       PHE  39  37.765  15.114   8.961
  265    HB2  PHE  39           HB2      PHE  39  39.070  16.492   7.593
  266    HB3  PHE  39           HB1      PHE  39  37.939  17.840   7.708
  267    HD1  PHE  39           HD2      PHE  39  39.695  15.638  10.194
  268    HD2  PHE  39           HD1      PHE  39  38.826  19.641   8.898
  269    HE1  PHE  39           HE2      PHE  39  40.974  16.539  12.118
  270    HE2  PHE  39           HE1      PHE  39  40.104  20.541  10.822
  271    HZ   PHE  39           HZ       PHE  39  41.177  18.991  12.433
  272    H    LEU  40           HN       LEU  40  35.383  17.695   9.023
  273    HA   LEU  40           HA       LEU  40  35.713  17.962  11.938
  274    HB2  LEU  40           HB2      LEU  40  34.166  19.932  11.632
  275    HB3  LEU  40           HB1      LEU  40  35.719  20.079  10.807
  276    HG   LEU  40           HG       LEU  40  33.686  18.749   9.169
  277   HD11  LEU  40          HD11      LEU  40  32.456  20.893   8.703
  278   HD12  LEU  40          HD12      LEU  40  33.244  21.595  10.117
  279   HD13  LEU  40          HD13      LEU  40  32.141  20.231  10.308
  280   HD21  LEU  40          HD21      LEU  40  35.230  21.306   8.670
  281   HD22  LEU  40          HD22      LEU  40  34.602  20.172   7.474
  282   HD23  LEU  40          HD23      LEU  40  35.960  19.709   8.499
  283    H    LEU  41           HN       LEU  41  33.944  16.211   9.748
  284    HA   LEU  41           HA       LEU  41  31.802  15.768  11.726
  285    HB2  LEU  41           HB2      LEU  41  31.487  16.342   8.785
  286    HB3  LEU  41           HB1      LEU  41  30.260  15.454   9.690
  287    HG   LEU  41           HG       LEU  41  31.243  17.958  10.945
  288   HD11  LEU  41          HD11      LEU  41  29.457  17.953   8.492
  289   HD12  LEU  41          HD12      LEU  41  31.075  18.647   8.591
  290   HD13  LEU  41          HD13      LEU  41  29.757  19.347   9.530
  291   HD21  LEU  41          HD21      LEU  41  29.406  16.383  11.781
  292   HD22  LEU  41          HD22      LEU  41  28.425  16.975  10.440
  293   HD23  LEU  41          HD23      LEU  41  28.974  18.091  11.691
  294    H    GLY  42           HN       GLY  42  33.763  14.085  11.875
  295    HA2  GLY  42           HA2      GLY  42  32.689  11.574  11.140
  296    HA3  GLY  42           HA1      GLY  42  33.999  11.989  10.039
  297    H    THR  43           HN       THR  43  35.441  13.515  12.098
  298    HA   THR  43           HA       THR  43  36.325  11.319  13.868
  299    HB   THR  43           HB       THR  43  37.931  13.078  12.044
  300    HG1  THR  43           HG1      THR  43  38.785  11.159  11.495
  301   HG21  THR  43          HG21      THR  43  39.929  12.228  13.464
  302   HG22  THR  43          HG22      THR  43  38.737  12.017  14.745
  303   HG23  THR  43          HG23      THR  43  39.020  13.617  14.059
  304    H    THR  44           HN       THR  44  36.414  14.825  13.271
  305    HA   THR  44           HA       THR  44  37.401  15.820  15.597
  306    HB   THR  44           HB       THR  44  35.133  16.745  13.862
  307    HG1  THR  44           HG1      THR  44  37.766  17.569  14.473
  308   HG21  THR  44          HG21      THR  44  34.371  17.615  15.906
  309   HG22  THR  44          HG22      THR  44  35.373  18.920  15.268
  310   HG23  THR  44          HG23      THR  44  36.007  17.852  16.520
  311    H    GLY  45           HN       GLY  45  34.342  14.188  15.157
  312    HA2  GLY  45           HA2      GLY  45  32.987  14.945  17.479
  313    HA3  GLY  45           HA1      GLY  45  32.802  13.392  16.670
  314    H    ASN  46           HN       ASN  46  34.522  11.753  17.141
  315    HA   ASN  46           HA       ASN  46  35.334  10.344  18.792
  316    HB2  ASN  46           HB2      ASN  46  37.363  11.433  18.247
  317    HB3  ASN  46           HB1      ASN  46  36.892  12.907  19.090
  318   HD21  ASN  46          HD21      ASN  46  37.506  13.082  21.271
  319   HD22  ASN  46          HD22      ASN  46  38.154  11.807  22.184
  320    H    GLY  47           HN       GLY  47  33.534  10.015  20.117
  321    HA2  GLY  47           HA2      GLY  47  33.576  10.184  22.741
  322    HA3  GLY  47           HA1      GLY  47  33.120  11.845  22.373
  323    H    LEU  48           HN       LEU  48  31.632  10.881  19.945
  324    HA   LEU  48           HA       LEU  48  29.204   9.968  21.362
  325    HB2  LEU  48           HB2      LEU  48  29.335  11.351  18.673
  326    HB3  LEU  48           HB1      LEU  48  27.907  11.048  19.654
  327    HG   LEU  48           HG       LEU  48  28.501  13.361  19.962
  328   HD11  LEU  48          HD11      LEU  48  27.941  11.843  21.989
  329   HD12  LEU  48          HD12      LEU  48  28.605  13.445  22.309
  330   HD13  LEU  48          HD13      LEU  48  29.646  12.025  22.406
  331   HD21  LEU  48          HD21      LEU  48  31.146  12.882  21.188
  332   HD22  LEU  48          HD22      LEU  48  30.626  14.168  20.103
  333   HD23  LEU  48          HD23      LEU  48  31.093  12.601  19.448
  334    H    VAL  49           HN       VAL  49  31.639   8.777  19.537
  335    HA   VAL  49           HA       VAL  49  29.926   6.980  17.951
  336    HB   VAL  49           HB       VAL  49  31.840   6.491  16.635
  337   HG11  VAL  49          HG11      VAL  49  32.571   8.696  15.897
  338   HG12  VAL  49          HG12      VAL  49  32.074   9.408  17.432
  339   HG13  VAL  49          HG13      VAL  49  30.860   8.771  16.322
  340   HG21  VAL  49          HG21      VAL  49  33.655   6.093  18.000
  341   HG22  VAL  49          HG22      VAL  49  33.280   7.447  19.065
  342   HG23  VAL  49          HG23      VAL  49  34.056   7.739  17.509
  343    H    LEU  50           HN       LEU  50  30.241   6.790  20.874
  344    HA   LEU  50           HA       LEU  50  30.788   3.962  21.007
  345    HB2  LEU  50           HB2      LEU  50  32.564   4.111  22.698
  346    HB3  LEU  50           HB1      LEU  50  33.074   4.850  21.180
  347    HG   LEU  50           HG       LEU  50  31.874   6.959  22.503
  348   HD11  LEU  50          HD11      LEU  50  33.464   5.318  24.502
  349   HD12  LEU  50          HD12      LEU  50  31.724   5.603  24.566
  350   HD13  LEU  50          HD13      LEU  50  32.846   6.948  24.769
  351   HD21  LEU  50          HD21      LEU  50  34.750   6.036  22.322
  352   HD22  LEU  50          HD22      LEU  50  34.307   7.608  22.987
  353   HD23  LEU  50          HD23      LEU  50  33.926   7.221  21.309
  354    H    TRP  51           HN       TRP  51  30.016   6.993  22.619
  355    HA   TRP  51           HA       TRP  51  28.916   5.635  24.945
  356    HB2  TRP  51           HB2      TRP  51  29.786   7.634  25.660
  357    HB3  TRP  51           HB1      TRP  51  29.419   8.460  24.145
  358    HD1  TRP  51           HD1      TRP  51  27.110   6.624  26.659
  359    HE1  TRP  51           HE1      TRP  51  25.176   8.216  27.270
  360    HE3  TRP  51           HE3      TRP  51  28.487  10.753  23.991
  361    HZ2  TRP  51           HZ2      TRP  51  24.324  10.886  26.701
  362    HZ3  TRP  51           HZ3      TRP  51  27.099  12.806  24.043
  363    HH2  TRP  51           HH2      TRP  51  25.020  12.876  25.393
  364    H    THR  52           HN       THR  52  27.435   8.219  23.002
  365    HA   THR  52           HA       THR  52  24.798   7.513  23.519
  366    HB   THR  52           HB       THR  52  25.852   9.603  22.313
  367    HG1  THR  52           HG1      THR  52  23.589   9.088  22.882
  368   HG21  THR  52          HG21      THR  52  25.806   9.580  19.962
  369   HG22  THR  52          HG22      THR  52  24.827   8.115  19.904
  370   HG23  THR  52          HG23      THR  52  26.526   8.023  20.368
  371    H    VAL  53           HN       VAL  53  27.076   5.833  21.678
  372    HA   VAL  53           HA       VAL  53  25.108   4.571  19.923
  373    HB   VAL  53           HB       VAL  53  28.100   4.239  20.222
  374   HG11  VAL  53          HG11      VAL  53  26.063   2.747  18.572
  375   HG12  VAL  53          HG12      VAL  53  27.381   2.097  19.547
  376   HG13  VAL  53          HG13      VAL  53  27.730   2.909  18.021
  377   HG21  VAL  53          HG21      VAL  53  26.296   5.468  18.116
  378   HG22  VAL  53          HG22      VAL  53  28.014   5.161  17.867
  379   HG23  VAL  53          HG23      VAL  53  27.492   6.298  19.110
  380    H    PHE  54           HN       PHE  54  26.655   4.042  22.954
  381    HA   PHE  54           HA       PHE  54  26.626   1.239  23.111
  382    HB2  PHE  54           HB2      PHE  54  27.774   2.532  24.792
  383    HB3  PHE  54           HB1      PHE  54  26.275   3.337  25.263
  384    HD1  PHE  54           HD2      PHE  54  27.929  -0.006  25.075
  385    HD2  PHE  54           HD1      PHE  54  24.826   2.368  26.861
  386    HE1  PHE  54           HE2      PHE  54  27.441  -1.842  26.670
  387    HE2  PHE  54           HE1      PHE  54  24.338   0.532  28.455
  388    HZ   PHE  54           HZ       PHE  54  25.647  -1.573  28.360
  389    H    ARG  55           HN       ARG  55  24.057   3.567  23.254
  390    HA   ARG  55           HA       ARG  55  22.164   1.508  24.185
  391    HB2  ARG  55           HB2      ARG  55  20.630   3.686  24.107
  392    HB3  ARG  55           HB1      ARG  55  21.672   3.337  25.485
  393    HG2  ARG  55           HG2      ARG  55  22.821   4.876  23.187
  394    HG3  ARG  55           HG1      ARG  55  21.737   5.711  24.298
  395    HD2  ARG  55           HD2      ARG  55  23.907   4.029  25.477
  396    HD3  ARG  55           HD1      ARG  55  24.360   5.572  24.762
  397    HE   ARG  55           HE       ARG  55  22.963   5.191  27.232
  398   HH11  ARG  55          HH21      ARG  55  23.274   7.228  24.452
  399   HH12  ARG  55          HH22      ARG  55  22.763   8.664  25.276
  400   HH21  ARG  55          HH11      ARG  55  22.295   7.070  28.319
  401   HH22  ARG  55          HH12      ARG  55  22.208   8.575  27.464
  402    H    LYS  56           HN       LYS  56  23.197   3.229  21.404
  403    HA   LYS  56           HA       LYS  56  20.752   2.468  19.929
  404    HB2  LYS  56           HB2      LYS  56  22.944   4.355  19.045
  405    HB3  LYS  56           HB1      LYS  56  21.370   4.116  18.285
  406    HG2  LYS  56           HG2      LYS  56  21.827   5.195  21.083
  407    HG3  LYS  56           HG1      LYS  56  21.378   6.157  19.675
  408    HD2  LYS  56           HD2      LYS  56  19.389   4.442  19.496
  409    HD3  LYS  56           HD1      LYS  56  19.738   4.159  21.203
  410    HE2  LYS  56           HE2      LYS  56  18.177   5.899  21.306
  411    HE3  LYS  56           HE1      LYS  56  19.708   6.772  21.373
  412    HZ1  LYS  56           HZ1      LYS  56  18.143   6.269  18.900
  413    HZ2  LYS  56           HZ2      LYS  56  19.575   7.177  19.018
  414    HZ3  LYS  56           HZ3      LYS  56  18.151   7.728  19.763
  415    H    LYS  57           HN       LYS  57  23.320   0.902  20.716
  416    HA   LYS  57           HA       LYS  57  24.674   0.286  18.301
  417    HB2  LYS  57           HB2      LYS  57  25.515  -0.166  20.637
  418    HB3  LYS  57           HB1      LYS  57  24.375  -1.511  20.710
  419    HG2  LYS  57           HG2      LYS  57  25.987  -2.764  19.745
  420    HG3  LYS  57           HG1      LYS  57  25.660  -1.864  18.264
  421    HD2  LYS  57           HD2      LYS  57  27.334  -0.168  18.931
  422    HD3  LYS  57           HD1      LYS  57  27.679  -1.096  20.392
  423    HE2  LYS  57           HE2      LYS  57  27.821  -2.866  18.143
  424    HE3  LYS  57           HE1      LYS  57  28.803  -1.442  17.796
  425    HZ1  LYS  57           HZ1      LYS  57  28.963  -3.066  20.278
  426    HZ2  LYS  57           HZ2      LYS  57  29.937  -1.729  19.891
  427    HZ3  LYS  57           HZ3      LYS  57  30.050  -3.159  18.980
  428    H    GLY  58           HN       GLY  58  22.479   0.199  17.114
  429    HA2  GLY  58           HA2      GLY  58  20.584  -1.746  17.263
  430    HA3  GLY  58           HA1      GLY  58  21.216  -1.161  15.727
  431    H    HIS  59           HN       HIS  59  23.613  -2.123  15.398
  432    HA   HIS  59           HA       HIS  59  24.140  -4.746  16.318
  433    HB2  HIS  59           HB2      HIS  59  22.087  -4.649  14.402
  434    HB3  HIS  59           HB1      HIS  59  23.523  -5.184  13.528
  435    HD2  HIS  59           HD2      HIS  59  22.401  -6.210  17.218
  436    HE1  HIS  59           HE1      HIS  59  23.031  -9.700  14.926
  437    HE2  HIS  59           HE2      HIS  59  22.438  -8.822  17.234
  438    H    HIS  60           HN       HIS  60  26.269  -4.937  16.101
  439    HA   HIS  60           HA       HIS  60  28.389  -4.829  15.209
  440    HB2  HIS  60           HB2      HIS  60  26.902  -5.345  13.042
  441    HB3  HIS  60           HB1      HIS  60  27.449  -3.724  12.611
  442    HD2  HIS  60           HD2      HIS  60  29.339  -6.977  13.975
  443    HE1  HIS  60           HE1      HIS  60  31.762  -5.029  11.119
  444    HE2  HIS  60           HE2      HIS  60  31.605  -7.027  12.679
  445    H    HIS  61           HN       HIS  61  29.410  -2.946  13.338
  446    HA   HIS  61           HA       HIS  61  28.763  -0.327  14.500
  447    HB2  HIS  61           HB2      HIS  61  30.783  -1.630  15.627
  448    HB3  HIS  61           HB1      HIS  61  31.652  -1.022  14.217
  449    HD2  HIS  61           HD2      HIS  61  29.775   1.902  14.282
  450    HE1  HIS  61           HE1      HIS  61  31.953   2.461  17.855
  451    HE2  HIS  61           HE2      HIS  61  30.542   3.621  16.091
  452    H    HIS  62           HN       HIS  62  31.159   0.845  13.317
  453    HA   HIS  62           HA       HIS  62  31.636   1.980  11.368
  454    HB2  HIS  62           HB2      HIS  62  32.721  -0.218  10.964
  455    HB3  HIS  62           HB1      HIS  62  31.242  -0.777  10.180
  456    HD2  HIS  62           HD2      HIS  62  30.927   0.082   7.535
  457    HE1  HIS  62           HE1      HIS  62  34.289   2.632   7.406
  458    HE2  HIS  62           HE2      HIS  62  32.438   1.580   6.021
  459    H    HIS  63           HN       HIS  63  29.479   3.045  11.651
  460    HA   HIS  63           HA       HIS  63  28.092   3.098   9.167
  461    HB2  HIS  63           HB2      HIS  63  27.140   1.004  10.207
  462    HB3  HIS  63           HB1      HIS  63  26.477   2.022  11.484
  463    HD2  HIS  63           HD2      HIS  63  24.889   0.495   8.658
  464    HE1  HIS  63           HE1      HIS  63  23.549   4.480   8.279
  465    HE2  HIS  63           HE2      HIS  63  23.149   2.085   7.536
  466    H    HIS  64           HN       HIS  64  29.135   5.220  10.022
  467    HA   HIS  64           HA       HIS  64  27.942   6.712  12.080
  468    HB2  HIS  64           HB2      HIS  64  29.876   7.147  10.022
  469    HB3  HIS  64           HB1      HIS  64  28.726   8.485   9.997
  470    HD2  HIS  64           HD2      HIS  64  28.188   8.905  13.179
  471    HE1  HIS  64           HE1      HIS  64  32.388   9.063  13.576
  472    HE2  HIS  64           HE2      HIS  64  30.183   9.611  14.710
  Start of MODEL   22
    1    H1   MET   1           HT1      MET   1  46.144 -31.019  -3.017
    2    H2   MET   1           HT2      MET   1  44.590 -30.355  -2.837
    3    H3   MET   1           HT3      MET   1  45.939 -29.335  -3.001
    4    HA   MET   1           HA       MET   1  45.903 -31.065  -5.199
    5    HB2  MET   1           HB2      MET   1  43.400 -31.073  -4.385
    6    HB3  MET   1           HB1      MET   1  43.370 -29.455  -5.088
    7    HG2  MET   1           HG2      MET   1  44.311 -30.458  -7.209
    8    HG3  MET   1           HG1      MET   1  44.060 -32.050  -6.491
    9    HE1  MET   1           HE1      MET   1  41.993 -33.371  -6.856
   10    HE2  MET   1           HE2      MET   1  40.431 -32.701  -6.394
   11    HE3  MET   1           HE3      MET   1  41.785 -32.615  -5.271
   12    H    GLU   2           HN       GLU   2  47.282 -29.897  -6.374
   13    HA   GLU   2           HA       GLU   2  47.355 -26.994  -6.116
   14    HB2  GLU   2           HB2      GLU   2  49.129 -29.055  -7.397
   15    HB3  GLU   2           HB1      GLU   2  49.311 -27.344  -7.790
   16    HG2  GLU   2           HG2      GLU   2  49.261 -28.362  -4.943
   17    HG3  GLU   2           HG1      GLU   2  50.754 -28.195  -5.865
   18    H    GLU   3           HN       GLU   3  45.073 -27.091  -7.135
   19    HA   GLU   3           HA       GLU   3  44.669 -27.681  -9.842
   20    HB2  GLU   3           HB2      GLU   3  43.353 -25.623  -8.058
   21    HB3  GLU   3           HB1      GLU   3  42.781 -26.028  -9.677
   22    HG2  GLU   3           HG2      GLU   3  42.361 -28.309  -9.044
   23    HG3  GLU   3           HG1      GLU   3  43.172 -28.089  -7.495
   24    H    GLY   4           HN       GLY   4  44.697 -26.402 -11.710
   25    HA2  GLY   4           HA2      GLY   4  45.045 -23.940 -12.414
   26    HA3  GLY   4           HA1      GLY   4  46.588 -24.144 -11.589
   27    H    GLY   5           HN       GLY   5  44.837 -26.475 -13.611
   28    HA2  GLY   5           HA2      GLY   5  47.139 -27.295 -15.028
   29    HA3  GLY   5           HA1      GLY   5  45.476 -27.637 -15.492
   30    H    ASP   6           HN       ASP   6  47.395 -27.142 -17.416
   31    HA   ASP   6           HA       ASP   6  47.690 -24.491 -18.263
   32    HB2  ASP   6           HB2      ASP   6  47.842 -27.163 -19.550
   33    HB3  ASP   6           HB1      ASP   6  47.649 -25.777 -20.622
   34    H    PHE   7           HN       PHE   7  44.862 -26.199 -17.876
   35    HA   PHE   7           HA       PHE   7  43.295 -25.581 -20.093
   36    HB2  PHE   7           HB2      PHE   7  42.841 -26.350 -17.317
   37    HB3  PHE   7           HB1      PHE   7  41.574 -25.290 -17.937
   38    HD1  PHE   7           HD1      PHE   7  43.508 -28.386 -18.738
   39    HD2  PHE   7           HD2      PHE   7  39.925 -26.113 -19.409
   40    HE1  PHE   7           HE1      PHE   7  42.547 -30.279 -20.021
   41    HE2  PHE   7           HE2      PHE   7  38.964 -28.006 -20.691
   42    HZ   PHE   7           HZ       PHE   7  40.275 -30.089 -20.997
   43    H    ASP   8           HN       ASP   8  42.879 -23.829 -17.032
   44    HA   ASP   8           HA       ASP   8  41.652 -21.582 -18.032
   45    HB2  ASP   8           HB2      ASP   8  42.798 -22.360 -15.567
   46    HB3  ASP   8           HB1      ASP   8  43.462 -20.773 -15.953
   47    H    ASN   9           HN       ASN   9  42.240 -19.840 -19.182
   48    HA   ASN   9           HA       ASN   9  45.059 -19.630 -19.997
   49    HB2  ASN   9           HB2      ASN   9  43.500 -19.768 -21.837
   50    HB3  ASN   9           HB1      ASN   9  42.527 -18.460 -21.167
   51   HD21  ASN   9          HD21      ASN   9  43.995 -16.358 -20.728
   52   HD22  ASN   9          HD22      ASN   9  45.037 -15.950 -22.004
   53    H    TYR  10           HN       TYR  10  42.430 -17.807 -18.514
   54    HA   TYR  10           HA       TYR  10  44.109 -15.434 -18.226
   55    HB2  TYR  10           HB2      TYR  10  41.249 -16.021 -17.430
   56    HB3  TYR  10           HB1      TYR  10  42.061 -14.484 -17.131
   57    HD1  TYR  10           HD2      TYR  10  43.106 -13.271 -19.158
   58    HD2  TYR  10           HD1      TYR  10  40.240 -16.450 -19.515
   59    HE1  TYR  10           HE2      TYR  10  42.591 -12.546 -21.472
   60    HE2  TYR  10           HE1      TYR  10  39.724 -15.725 -21.829
   61    HH   TYR  10           HH       TYR  10  41.024 -14.420 -23.678
   62    H    TYR  11           HN       TYR  11  41.920 -16.860 -15.832
   63    HA   TYR  11           HA       TYR  11  42.236 -17.466 -13.636
   64    HB2  TYR  11           HB2      TYR  11  44.264 -18.677 -14.815
   65    HB3  TYR  11           HB1      TYR  11  45.210 -17.455 -13.965
   66    HD1  TYR  11           HD2      TYR  11  42.881 -20.300 -13.560
   67    HD2  TYR  11           HD1      TYR  11  45.392 -17.450 -11.552
   68    HE1  TYR  11           HE2      TYR  11  42.671 -21.596 -11.456
   69    HE2  TYR  11           HE1      TYR  11  45.181 -18.747  -9.448
   70    HH   TYR  11           HH       TYR  11  43.284 -21.767  -9.335
   71    H    GLY  12           HN       GLY  12  42.704 -16.481 -11.640
   72    HA2  GLY  12           HA2      GLY  12  42.805 -14.564 -10.339
   73    HA3  GLY  12           HA1      GLY  12  44.452 -14.519 -10.961
   74    H    ALA  13           HN       ALA  13  41.589 -14.154 -12.963
   75    HA   ALA  13           HA       ALA  13  42.553 -11.736 -14.127
   76    HB1  ALA  13           HB1      ALA  13  40.736 -11.886 -15.556
   77    HB2  ALA  13           HB2      ALA  13  39.675 -12.542 -14.310
   78    HB3  ALA  13           HB3      ALA  13  40.900 -13.569 -15.056
   79    H    ASP  14           HN       ASP  14  40.242 -12.489 -11.582
   80    HA   ASP  14           HA       ASP  14  38.967 -10.013 -11.339
   81    HB2  ASP  14           HB2      ASP  14  38.229 -12.014 -10.131
   82    HB3  ASP  14           HB1      ASP  14  39.698 -11.982  -9.159
   83    H    ASN  15           HN       ASN  15  42.224 -10.747 -10.932
   84    HA   ASN  15           HA       ASN  15  42.979  -9.096  -8.780
   85    HB2  ASN  15           HB2      ASN  15  44.429 -10.032 -11.251
   86    HB3  ASN  15           HB1      ASN  15  45.205  -9.002 -10.050
   87   HD21  ASN  15          HD21      ASN  15  44.267 -10.024  -7.642
   88   HD22  ASN  15          HD22      ASN  15  44.725 -11.650  -7.479
   89    H    GLN  16           HN       GLN  16  42.302  -8.399 -12.159
   90    HA   GLN  16           HA       GLN  16  42.999  -5.568 -11.734
   91    HB2  GLN  16           HB2      GLN  16  42.356  -7.038 -14.302
   92    HB3  GLN  16           HB1      GLN  16  42.904  -5.367 -14.170
   93    HG2  GLN  16           HG2      GLN  16  44.672  -7.131 -12.703
   94    HG3  GLN  16           HG1      GLN  16  44.518  -7.664 -14.377
   95   HE21  GLN  16          HE21      GLN  16  45.461  -6.346 -16.025
   96   HE22  GLN  16          HE22      GLN  16  46.338  -4.934 -15.684
   97    H    SER  17           HN       SER  17  40.696  -6.515 -10.446
   98    HA   SER  17           HA       SER  17  38.468  -5.525 -12.098
   99    HB2  SER  17           HB2      SER  17  38.570  -7.154  -9.561
  100    HB3  SER  17           HB1      SER  17  37.079  -6.440 -10.168
  101    HG   SER  17           HG       SER  17  37.813  -8.702 -10.845
  102    H    GLU  18           HN       GLU  18  36.720  -4.635 -10.239
  103    HA   GLU  18           HA       GLU  18  37.532  -2.003  -9.746
  104    HB2  GLU  18           HB2      GLU  18  35.302  -3.697  -8.635
  105    HB3  GLU  18           HB1      GLU  18  35.538  -2.028  -8.116
  106    HG2  GLU  18           HG2      GLU  18  34.925  -1.159 -10.151
  107    HG3  GLU  18           HG1      GLU  18  35.573  -2.531 -11.049
  108    H    CYS  19           HN       CYS  19  39.639  -2.298  -8.753
  109    HA   CYS  19           HA       CYS  19  39.426  -2.368  -5.838
  110    HB2  CYS  19           HB2      CYS  19  40.765  -4.430  -7.470
  111    HB3  CYS  19           HB1      CYS  19  41.732  -3.784  -6.142
  112    HG   CYS  19           HG       CYS  19  39.312  -4.315  -4.753
  113    H    GLU  20           HN       GLU  20  41.368  -1.803  -8.729
  114    HA   GLU  20           HA       GLU  20  42.668   0.444  -7.337
  115    HB2  GLU  20           HB2      GLU  20  44.332  -1.146  -9.227
  116    HB3  GLU  20           HB1      GLU  20  44.812  -0.233  -7.796
  117    HG2  GLU  20           HG2      GLU  20  43.670  -1.979  -6.389
  118    HG3  GLU  20           HG1      GLU  20  43.417  -2.922  -7.856
  119    H    TYR  21           HN       TYR  21  40.503   0.079  -9.392
  120    HA   TYR  21           HA       TYR  21  41.618   1.962 -11.356
  121    HB2  TYR  21           HB2      TYR  21  39.970  -0.469 -12.097
  122    HB3  TYR  21           HB1      TYR  21  40.551   0.773 -13.208
  123    HD1  TYR  21           HD1      TYR  21  41.510  -2.079 -11.084
  124    HD2  TYR  21           HD2      TYR  21  42.916   0.938 -13.799
  125    HE1  TYR  21           HE1      TYR  21  43.666  -3.284 -11.305
  126    HE2  TYR  21           HE2      TYR  21  45.073  -0.268 -14.021
  127    HH   TYR  21           HH       TYR  21  45.853  -3.024 -11.995
  128    H    THR  22           HN       THR  22  39.824   2.169  -9.009
  129    HA   THR  22           HA       THR  22  37.810   3.817 -10.222
  130    HB   THR  22           HB       THR  22  36.689   1.684 -10.537
  131    HG1  THR  22           HG1      THR  22  34.955   2.092  -8.864
  132   HG21  THR  22          HG21      THR  22  37.029   1.289  -7.552
  133   HG22  THR  22          HG22      THR  22  37.984   0.462  -8.784
  134   HG23  THR  22          HG23      THR  22  36.246   0.179  -8.678
  135    H    ASP  23           HN       ASP  23  39.068   2.186  -7.366
  136    HA   ASP  23           HA       ASP  23  37.785   3.892  -5.463
  137    HB2  ASP  23           HB2      ASP  23  38.474   1.805  -4.620
  138    HB3  ASP  23           HB1      ASP  23  40.081   1.950  -5.330
  139    H    TRP  24           HN       TRP  24  41.297   3.563  -5.893
  140    HA   TRP  24           HA       TRP  24  42.127   5.904  -4.791
  141    HB2  TRP  24           HB2      TRP  24  44.124   5.742  -6.100
  142    HB3  TRP  24           HB1      TRP  24  43.573   4.092  -5.814
  143    HD1  TRP  24           HD1      TRP  24  41.783   3.217  -7.885
  144    HE1  TRP  24           HE1      TRP  24  42.195   3.406 -10.423
  145    HE3  TRP  24           HE3      TRP  24  45.297   6.922  -7.934
  146    HZ2  TRP  24           HZ2      TRP  24  43.803   4.926 -12.234
  147    HZ3  TRP  24           HZ3      TRP  24  46.252   7.720 -10.078
  148    HH2  TRP  24           HH2      TRP  24  45.510   6.728 -12.226
  149    H    LYS  25           HN       LYS  25  41.147   5.487  -8.191
  150    HA   LYS  25           HA       LYS  25  40.779   7.049  -9.841
  151    HB2  LYS  25           HB2      LYS  25  38.631   6.897  -8.673
  152    HB3  LYS  25           HB1      LYS  25  39.137   8.162  -7.554
  153    HG2  LYS  25           HG2      LYS  25  38.777   9.815  -9.066
  154    HG3  LYS  25           HG1      LYS  25  39.445   8.868 -10.394
  155    HD2  LYS  25           HD2      LYS  25  36.757   8.200  -9.196
  156    HD3  LYS  25           HD1      LYS  25  36.916   9.405 -10.474
  157    HE2  LYS  25           HE2      LYS  25  38.357   6.884 -10.998
  158    HE3  LYS  25           HE1      LYS  25  36.604   6.717 -10.915
  159    HZ1  LYS  25           HZ1      LYS  25  38.141   7.764 -13.000
  160    HZ2  LYS  25           HZ2      LYS  25  37.207   9.034 -12.365
  161    HZ3  LYS  25           HZ3      LYS  25  36.454   7.613 -12.916
  162    H    SER  26           HN       SER  26  40.343   9.473  -7.346
  163    HA   SER  26           HA       SER  26  42.510  11.038  -8.560
  164    HB2  SER  26           HB2      SER  26  40.005  11.673  -7.109
  165    HB3  SER  26           HB1      SER  26  41.367  12.749  -6.817
  166    HG   SER  26           HG       SER  26  40.023  12.146  -9.217
  167    H    SER  27           HN       SER  27  41.244  10.808  -5.232
  168    HA   SER  27           HA       SER  27  42.322  10.442  -3.227
  169    HB2  SER  27           HB2      SER  27  43.626   8.751  -4.809
  170    HB3  SER  27           HB1      SER  27  44.936   9.902  -4.562
  171    HG   SER  27           HG       SER  27  43.845   9.552  -2.218
  172    H    GLY  28           HN       GLY  28  43.445  12.564  -5.654
  173    HA2  GLY  28           HA2      GLY  28  44.591  14.326  -3.583
  174    HA3  GLY  28           HA1      GLY  28  45.490  14.026  -5.067
  175    H    ALA  29           HN       ALA  29  42.255  13.927  -5.789
  176    HA   ALA  29           HA       ALA  29  42.155  16.805  -6.454
  177    HB1  ALA  29           HB1      ALA  29  42.058  14.499  -8.215
  178    HB2  ALA  29           HB2      ALA  29  42.215  16.209  -8.616
  179    HB3  ALA  29           HB3      ALA  29  40.618  15.502  -8.375
  180    H    LEU  30           HN       LEU  30  40.538  13.984  -5.283
  181    HA   LEU  30           HA       LEU  30  38.036  15.531  -4.961
  182    HB2  LEU  30           HB2      LEU  30  38.593  12.654  -5.521
  183    HB3  LEU  30           HB1      LEU  30  37.186  13.041  -4.536
  184    HG   LEU  30           HG       LEU  30  36.703  12.887  -7.005
  185   HD11  LEU  30          HD11      LEU  30  36.101  15.696  -6.632
  186   HD12  LEU  30          HD12      LEU  30  35.821  14.806  -5.137
  187   HD13  LEU  30          HD13      LEU  30  35.006  14.314  -6.621
  188   HD21  LEU  30          HD21      LEU  30  38.071  15.544  -7.304
  189   HD22  LEU  30          HD22      LEU  30  37.651  14.361  -8.541
  190   HD23  LEU  30          HD23      LEU  30  39.013  14.061  -7.461
  191    H    ILE  31           HN       ILE  31  40.548  13.711  -3.406
  192    HA   ILE  31           HA       ILE  31  39.202  13.415  -0.891
  193    HB   ILE  31           HB       ILE  31  41.954  12.883  -1.920
  194   HG12  ILE  31          HG12      ILE  31  41.454  10.665  -1.057
  195   HG13  ILE  31          HG11      ILE  31  40.005  11.268  -0.252
  196   HG21  ILE  31          HG21      ILE  31  42.588  13.918   0.121
  197   HG22  ILE  31          HG22      ILE  31  42.508  12.199   0.501
  198   HG23  ILE  31          HG23      ILE  31  41.190  13.267   0.978
  199   HD11  ILE  31          HD11      ILE  31  39.794  10.096  -2.597
  200   HD12  ILE  31          HD12      ILE  31  40.319  11.664  -3.211
  201   HD13  ILE  31          HD13      ILE  31  38.842  11.541  -2.256
  202    HA   PRO  32           HA       PRO  32  42.122  17.225   0.133
  203    HB2  PRO  32           HB2      PRO  32  41.590  18.836  -2.296
  204    HB3  PRO  32           HB1      PRO  32  43.110  18.586  -1.417
  205    HG2  PRO  32           HG2      PRO  32  42.641  17.469  -3.804
  206    HG3  PRO  32           HG1      PRO  32  43.609  16.669  -2.555
  207    HD2  PRO  32           HD2      PRO  32  40.795  16.109  -3.406
  208    HD3  PRO  32           HD1      PRO  32  42.057  14.984  -2.860
  209    H    ALA  33           HN       ALA  33  39.030  16.663  -0.817
  210    HA   ALA  33           HA       ALA  33  38.045  19.085   0.547
  211    HB1  ALA  33           HB1      ALA  33  36.636  17.894  -1.838
  212    HB2  ALA  33           HB2      ALA  33  37.813  19.197  -1.998
  213    HB3  ALA  33           HB3      ALA  33  36.341  19.449  -1.059
  214    H    ILE  34           HN       ILE  34  36.570  16.212  -0.964
  215    HA   ILE  34           HA       ILE  34  34.496  15.767   0.728
  216    HB   ILE  34           HB       ILE  34  36.331  13.801  -0.629
  217   HG12  ILE  34          HG12      ILE  34  33.409  14.449  -1.100
  218   HG13  ILE  34          HG11      ILE  34  34.719  15.321  -1.898
  219   HG21  ILE  34          HG21      ILE  34  33.981  13.303   1.193
  220   HG22  ILE  34          HG22      ILE  34  35.544  12.487   1.162
  221   HG23  ILE  34          HG23      ILE  34  34.365  12.181  -0.112
  222   HD11  ILE  34          HD11      ILE  34  34.864  12.354  -1.998
  223   HD12  ILE  34          HD12      ILE  34  35.273  13.543  -3.235
  224   HD13  ILE  34          HD13      ILE  34  33.587  13.108  -2.953
  225    H    TYR  35           HN       TYR  35  37.846  15.498   1.496
  226    HA   TYR  35           HA       TYR  35  37.435  13.882   3.873
  227    HB2  TYR  35           HB2      TYR  35  39.525  13.718   2.561
  228    HB3  TYR  35           HB1      TYR  35  39.884  15.401   2.947
  229    HD1  TYR  35           HD1      TYR  35  39.137  12.102   4.548
  230    HD2  TYR  35           HD2      TYR  35  41.010  15.949   4.936
  231    HE1  TYR  35           HE1      TYR  35  40.145  11.395   6.701
  232    HE2  TYR  35           HE2      TYR  35  42.018  15.240   7.089
  233    HH   TYR  35           HH       TYR  35  41.005  12.539   8.791
  234    H    MET  36           HN       MET  36  38.018  17.273   3.061
  235    HA   MET  36           HA       MET  36  38.375  18.232   5.695
  236    HB2  MET  36           HB2      MET  36  38.891  19.484   3.568
  237    HB3  MET  36           HB1      MET  36  37.157  19.752   3.381
  238    HG2  MET  36           HG2      MET  36  37.389  21.565   4.701
  239    HG3  MET  36           HG1      MET  36  37.703  20.458   6.038
  240    HE1  MET  36           HE1      MET  36  39.276  23.370   3.920
  241    HE2  MET  36           HE2      MET  36  39.080  21.937   2.915
  242    HE3  MET  36           HE3      MET  36  40.697  22.527   3.286
  243    H    LEU  37           HN       LEU  37  35.478  17.938   3.655
  244    HA   LEU  37           HA       LEU  37  33.655  19.119   5.449
  245    HB2  LEU  37           HB2      LEU  37  33.035  16.889   3.505
  246    HB3  LEU  37           HB1      LEU  37  31.933  18.125   4.111
  247    HG   LEU  37           HG       LEU  37  34.374  18.628   2.385
  248   HD11  LEU  37          HD11      LEU  37  32.646  17.674   1.029
  249   HD12  LEU  37          HD12      LEU  37  32.567  19.417   0.769
  250   HD13  LEU  37          HD13      LEU  37  31.399  18.629   1.831
  251   HD21  LEU  37          HD21      LEU  37  33.126  20.943   2.287
  252   HD22  LEU  37          HD22      LEU  37  34.162  20.576   3.666
  253   HD23  LEU  37          HD23      LEU  37  32.412  20.408   3.808
  254    H    VAL  38           HN       VAL  38  35.080  15.938   5.318
  255    HA   VAL  38           HA       VAL  38  33.275  14.977   7.435
  256    HB   VAL  38           HB       VAL  38  35.311  13.512   5.741
  257   HG11  VAL  38          HG11      VAL  38  33.825  11.563   6.810
  258   HG12  VAL  38          HG12      VAL  38  33.660  12.744   8.109
  259   HG13  VAL  38          HG13      VAL  38  35.260  12.180   7.627
  260   HG21  VAL  38          HG21      VAL  38  32.442  12.813   5.657
  261   HG22  VAL  38          HG22      VAL  38  33.598  12.981   4.335
  262   HG23  VAL  38          HG23      VAL  38  32.824  14.411   5.017
  263    H    PHE  39           HN       PHE  39  36.219  16.502   7.094
  264    HA   PHE  39           HA       PHE  39  37.795  15.155   9.042
  265    HB2  PHE  39           HB2      PHE  39  38.845  16.645   7.445
  266    HB3  PHE  39           HB1      PHE  39  37.887  18.006   8.029
  267    HD1  PHE  39           HD1      PHE  39  40.482  15.526   9.026
  268    HD2  PHE  39           HD2      PHE  39  38.549  19.250   9.943
  269    HE1  PHE  39           HE1      PHE  39  42.187  15.982  10.769
  270    HE2  PHE  39           HE2      PHE  39  40.253  19.706  11.685
  271    HZ   PHE  39           HZ       PHE  39  42.072  18.072  12.098
  272    H    LEU  40           HN       LEU  40  35.386  17.712   9.193
  273    HA   LEU  40           HA       LEU  40  35.798  17.952  12.101
  274    HB2  LEU  40           HB2      LEU  40  34.280  19.938  11.875
  275    HB3  LEU  40           HB1      LEU  40  35.780  20.077  10.958
  276    HG   LEU  40           HG       LEU  40  33.720  18.760   9.391
  277   HD11  LEU  40          HD11      LEU  40  32.137  20.069  10.680
  278   HD12  LEU  40          HD12      LEU  40  32.320  20.828   9.098
  279   HD13  LEU  40          HD13      LEU  40  33.130  21.517  10.506
  280   HD21  LEU  40          HD21      LEU  40  35.106  21.426   8.984
  281   HD22  LEU  40          HD22      LEU  40  34.416  20.381   7.742
  282   HD23  LEU  40          HD23      LEU  40  35.860  19.874   8.620
  283    H    LEU  41           HN       LEU  41  33.953  16.256   9.919
  284    HA   LEU  41           HA       LEU  41  31.866  15.783  11.948
  285    HB2  LEU  41           HB2      LEU  41  31.473  16.355   9.012
  286    HB3  LEU  41           HB1      LEU  41  30.259  15.515   9.976
  287    HG   LEU  41           HG       LEU  41  31.298  17.952  11.252
  288   HD11  LEU  41          HD11      LEU  41  29.692  18.139   8.684
  289   HD12  LEU  41          HD12      LEU  41  31.349  18.698   8.905
  290   HD13  LEU  41          HD13      LEU  41  30.031  19.482   9.776
  291   HD21  LEU  41          HD21      LEU  41  29.295  16.483  11.896
  292   HD22  LEU  41          HD22      LEU  41  28.461  17.200  10.518
  293   HD23  LEU  41          HD23      LEU  41  29.003  18.222  11.849
  294    H    GLY  42           HN       GLY  42  33.568  14.014  12.244
  295    HA2  GLY  42           HA2      GLY  42  32.550  11.555  11.417
  296    HA3  GLY  42           HA1      GLY  42  33.860  11.956  10.312
  297    H    THR  43           HN       THR  43  35.267  13.471  12.471
  298    HA   THR  43           HA       THR  43  36.076  11.269  14.252
  299    HB   THR  43           HB       THR  43  37.639  11.241  12.360
  300    HG1  THR  43           HG1      THR  43  38.441  10.860  14.459
  301   HG21  THR  43          HG21      THR  43  38.863  13.137  11.666
  302   HG22  THR  43          HG22      THR  43  38.459  14.039  13.127
  303   HG23  THR  43          HG23      THR  43  37.226  13.750  11.900
  304    H    THR  44           HN       THR  44  35.614  14.624  13.616
  305    HA   THR  44           HA       THR  44  36.995  15.611  15.937
  306    HB   THR  44           HB       THR  44  35.018  16.831  14.011
  307    HG1  THR  44           HG1      THR  44  37.407  18.026  14.355
  308   HG21  THR  44          HG21      THR  44  35.731  18.997  15.232
  309   HG22  THR  44          HG22      THR  44  36.186  17.932  16.561
  310   HG23  THR  44          HG23      THR  44  34.514  17.984  16.006
  311    H    GLY  45           HN       GLY  45  34.079  13.982  15.461
  312    HA2  GLY  45           HA2      GLY  45  32.690  15.219  17.714
  313    HA3  GLY  45           HA1      GLY  45  32.066  13.940  16.677
  314    H    ASN  46           HN       ASN  46  34.881  12.667  17.144
  315    HA   ASN  46           HA       ASN  46  34.465  11.689  19.886
  316    HB2  ASN  46           HB2      ASN  46  34.092   9.528  19.307
  317    HB3  ASN  46           HB1      ASN  46  33.529  10.233  17.793
  318   HD21  ASN  46          HD21      ASN  46  35.810  10.887  16.428
  319   HD22  ASN  46          HD22      ASN  46  36.799   9.525  16.203
  320    H    GLY  47           HN       GLY  47  36.476  13.143  17.853
  321    HA2  GLY  47           HA2      GLY  47  38.890  11.598  18.439
  322    HA3  GLY  47           HA1      GLY  47  38.788  13.024  17.410
  323    H    LEU  48           HN       LEU  48  37.083  13.555  20.236
  324    HA   LEU  48           HA       LEU  48  39.295  15.163  21.324
  325    HB2  LEU  48           HB2      LEU  48  36.342  15.268  21.985
  326    HB3  LEU  48           HB1      LEU  48  37.575  16.414  22.507
  327    HG   LEU  48           HG       LEU  48  36.809  15.862  19.623
  328   HD11  LEU  48          HD11      LEU  48  35.131  17.317  19.986
  329   HD12  LEU  48          HD12      LEU  48  36.339  18.550  20.345
  330   HD13  LEU  48          HD13      LEU  48  35.661  17.576  21.649
  331   HD21  LEU  48          HD21      LEU  48  38.900  17.554  20.961
  332   HD22  LEU  48          HD22      LEU  48  38.161  18.134  19.469
  333   HD23  LEU  48          HD23      LEU  48  39.017  16.593  19.487
  334    H    VAL  49           HN       VAL  49  36.965  12.658  22.180
  335    HA   VAL  49           HA       VAL  49  37.359  12.510  24.926
  336    HB   VAL  49           HB       VAL  49  36.975   9.942  24.455
  337   HG11  VAL  49          HG11      VAL  49  35.084  12.247  24.002
  338   HG12  VAL  49          HG12      VAL  49  35.212  11.187  25.405
  339   HG13  VAL  49          HG13      VAL  49  34.520  10.579  23.902
  340   HG21  VAL  49          HG21      VAL  49  37.555  10.606  21.928
  341   HG22  VAL  49          HG22      VAL  49  35.831  10.974  21.894
  342   HG23  VAL  49          HG23      VAL  49  36.378   9.348  22.303
  343    H    LEU  50           HN       LEU  50  39.661  12.146  22.527
  344    HA   LEU  50           HA       LEU  50  41.352  10.367  24.158
  345    HB2  LEU  50           HB2      LEU  50  42.006  11.367  21.393
  346    HB3  LEU  50           HB1      LEU  50  42.616   9.931  22.216
  347    HG   LEU  50           HG       LEU  50  39.781  10.376  21.240
  348   HD11  LEU  50          HD11      LEU  50  41.698   9.765  19.608
  349   HD12  LEU  50          HD12      LEU  50  40.253   8.755  19.587
  350   HD13  LEU  50          HD13      LEU  50  41.703   8.200  20.422
  351   HD21  LEU  50          HD21      LEU  50  41.045   8.329  23.033
  352   HD22  LEU  50          HD22      LEU  50  39.769   7.814  21.929
  353   HD23  LEU  50          HD23      LEU  50  39.444   9.062  23.131
  354    H    TRP  51           HN       TRP  51  41.541  13.426  22.332
  355    HA   TRP  51           HA       TRP  51  44.007  14.179  23.643
  356    HB2  TRP  51           HB2      TRP  51  43.980  15.061  21.516
  357    HB3  TRP  51           HB1      TRP  51  42.241  15.349  21.540
  358    HD1  TRP  51           HD1      TRP  51  45.005  16.591  23.950
  359    HE1  TRP  51           HE1      TRP  51  44.819  19.157  24.121
  360    HE3  TRP  51           HE3      TRP  51  41.217  17.427  20.629
  361    HZ2  TRP  51           HZ2      TRP  51  43.271  21.283  22.998
  362    HZ3  TRP  51           HZ3      TRP  51  40.407  19.729  20.198
  363    HH2  TRP  51           HH2      TRP  51  41.429  21.656  21.378
  364    H    THR  52           HN       THR  52  40.796  15.744  23.454
  365    HA   THR  52           HA       THR  52  41.153  17.613  25.464
  366    HB   THR  52           HB       THR  52  38.664  16.126  24.611
  367    HG1  THR  52           HG1      THR  52  39.580  17.500  23.076
  368   HG21  THR  52          HG21      THR  52  39.071  18.339  26.615
  369   HG22  THR  52          HG22      THR  52  38.110  16.869  26.778
  370   HG23  THR  52          HG23      THR  52  37.551  18.177  25.735
  371    H    VAL  53           HN       VAL  53  41.198  14.265  25.769
  372    HA   VAL  53           HA       VAL  53  40.348  14.318  28.585
  373    HB   VAL  53           HB       VAL  53  40.727  12.140  26.554
  374   HG11  VAL  53          HG11      VAL  53  40.239  10.604  28.600
  375   HG12  VAL  53          HG12      VAL  53  40.887  11.937  29.557
  376   HG13  VAL  53          HG13      VAL  53  41.895  11.151  28.341
  377   HG21  VAL  53          HG21      VAL  53  38.540  12.815  28.549
  378   HG22  VAL  53          HG22      VAL  53  38.467  11.540  27.333
  379   HG23  VAL  53          HG23      VAL  53  38.519  13.231  26.835
  380    H    PHE  54           HN       PHE  54  43.132  13.897  26.519
  381    HA   PHE  54           HA       PHE  54  44.935  12.669  28.245
  382    HB2  PHE  54           HB2      PHE  54  45.218  13.418  25.774
  383    HB3  PHE  54           HB1      PHE  54  45.772  14.944  26.465
  384    HD1  PHE  54           HD2      PHE  54  46.434  11.304  26.259
  385    HD2  PHE  54           HD1      PHE  54  47.889  15.115  27.605
  386    HE1  PHE  54           HE2      PHE  54  48.662  10.302  26.689
  387    HE2  PHE  54           HE1      PHE  54  50.116  14.113  28.036
  388    HZ   PHE  54           HZ       PHE  54  50.502  11.707  27.577
  389    H    ARG  55           HN       ARG  55  43.360  15.631  28.631
  390    HA   ARG  55           HA       ARG  55  45.448  16.696  30.416
  391    HB2  ARG  55           HB2      ARG  55  42.898  18.053  29.521
  392    HB3  ARG  55           HB1      ARG  55  44.299  18.800  30.291
  393    HG2  ARG  55           HG2      ARG  55  45.029  19.239  28.196
  394    HG3  ARG  55           HG1      ARG  55  45.400  17.517  28.094
  395    HD2  ARG  55           HD2      ARG  55  44.040  18.019  26.191
  396    HD3  ARG  55           HD1      ARG  55  43.003  17.164  27.329
  397    HE   ARG  55           HE       ARG  55  41.719  19.082  27.479
  398   HH11  ARG  55          HH21      ARG  55  44.893  19.828  26.317
  399   HH12  ARG  55          HH22      ARG  55  44.542  21.499  26.023
  400   HH21  ARG  55          HH11      ARG  55  41.252  21.272  27.095
  401   HH22  ARG  55          HH12      ARG  55  42.482  22.316  26.463
  402    H    LYS  56           HN       LYS  56  42.413  15.099  30.408
  403    HA   LYS  56           HA       LYS  56  41.752  15.924  33.136
  404    HB2  LYS  56           HB2      LYS  56  40.349  14.408  30.970
  405    HB3  LYS  56           HB1      LYS  56  39.844  14.173  32.644
  406    HG2  LYS  56           HG2      LYS  56  38.560  15.989  31.536
  407    HG3  LYS  56           HG1      LYS  56  39.497  16.585  32.905
  408    HD2  LYS  56           HD2      LYS  56  41.196  17.481  31.463
  409    HD3  LYS  56           HD1      LYS  56  40.510  16.669  30.055
  410    HE2  LYS  56           HE2      LYS  56  38.624  18.097  30.003
  411    HE3  LYS  56           HE1      LYS  56  38.905  18.665  31.650
  412    HZ1  LYS  56           HZ1      LYS  56  40.295  19.396  29.169
  413    HZ2  LYS  56           HZ2      LYS  56  41.146  19.462  30.638
  414    HZ3  LYS  56           HZ3      LYS  56  39.740  20.391  30.426
  415    H    LYS  57           HN       LYS  57  43.779  13.730  31.749
  416    HA   LYS  57           HA       LYS  57  43.363  11.280  32.925
  417    HB2  LYS  57           HB2      LYS  57  45.856  11.043  32.949
  418    HB3  LYS  57           HB1      LYS  57  45.210  11.607  31.410
  419    HG2  LYS  57           HG2      LYS  57  46.607  13.367  31.550
  420    HG3  LYS  57           HG1      LYS  57  45.666  13.937  32.926
  421    HD2  LYS  57           HD2      LYS  57  47.961  13.763  33.646
  422    HD3  LYS  57           HD1      LYS  57  47.066  12.442  34.399
  423    HE2  LYS  57           HE2      LYS  57  47.917  11.452  31.902
  424    HE3  LYS  57           HE1      LYS  57  49.306  12.307  32.572
  425    HZ1  LYS  57           HZ1      LYS  57  49.371  10.093  33.375
  426    HZ2  LYS  57           HZ2      LYS  57  47.739  10.136  33.847
  427    HZ3  LYS  57           HZ3      LYS  57  48.892  11.070  34.676
  428    H    GLY  58           HN       GLY  58  44.690  14.198  34.412
  429    HA2  GLY  58           HA2      GLY  58  45.375  14.618  36.590
  430    HA3  GLY  58           HA1      GLY  58  43.805  13.907  36.947
  431    H    HIS  59           HN       HIS  59  47.239  13.422  36.934
  432    HA   HIS  59           HA       HIS  59  46.980  11.211  38.780
  433    HB2  HIS  59           HB2      HIS  59  47.605  10.764  35.941
  434    HB3  HIS  59           HB1      HIS  59  48.758  10.038  37.059
  435    HD2  HIS  59           HD2      HIS  59  45.241   9.334  35.695
  436    HE1  HIS  59           HE1      HIS  59  45.716   6.850  39.075
  437    HE2  HIS  59           HE2      HIS  59  44.259   7.331  37.052
  438    H    HIS  60           HN       HIS  60  49.215  12.957  36.626
  439    HA   HIS  60           HA       HIS  60  51.322  12.775  38.657
  440    HB2  HIS  60           HB2      HIS  60  51.227  13.123  35.755
  441    HB3  HIS  60           HB1      HIS  60  52.333  14.247  36.545
  442    HD2  HIS  60           HD2      HIS  60  51.806  10.530  37.809
  443    HE1  HIS  60           HE1      HIS  60  55.793  10.961  36.488
  444    HE2  HIS  60           HE2      HIS  60  54.148   9.390  37.615
  445    H    HIS  61           HN       HIS  61  49.844  15.310  36.618
  446    HA   HIS  61           HA       HIS  61  49.473  17.543  37.000
  447    HB2  HIS  61           HB2      HIS  61  48.742  16.193  39.362
  448    HB3  HIS  61           HB1      HIS  61  49.672  17.601  39.875
  449    HD2  HIS  61           HD2      HIS  61  48.648  19.815  37.702
  450    HE1  HIS  61           HE1      HIS  61  44.746  18.736  38.903
  451    HE2  HIS  61           HE2      HIS  61  46.130  20.507  37.721
  452    H    HIS  62           HN       HIS  62  50.693  19.376  37.119
  453    HA   HIS  62           HA       HIS  62  53.501  19.013  37.867
  454    HB2  HIS  62           HB2      HIS  62  53.954  20.947  36.564
  455    HB3  HIS  62           HB1      HIS  62  52.753  20.034  35.651
  456    HD2  HIS  62           HD2      HIS  62  52.760  23.291  35.216
  457    HE1  HIS  62           HE1      HIS  62  49.360  23.295  37.718
  458    HE2  HIS  62           HE2      HIS  62  50.675  24.644  36.016
  459    H    HIS  63           HN       HIS  63  54.004  21.810  38.295
  460    HA   HIS  63           HA       HIS  63  52.437  22.625  40.595
  461    HB2  HIS  63           HB2      HIS  63  55.329  21.784  40.911
  462    HB3  HIS  63           HB1      HIS  63  54.386  22.637  42.133
  463    HD2  HIS  63           HD2      HIS  63  52.178  21.071  43.212
  464    HE1  HIS  63           HE1      HIS  63  53.671  17.394  41.772
  465    HE2  HIS  63           HE2      HIS  63  51.973  18.470  43.323
  466    H    HIS  64           HN       HIS  64  52.575  24.032  38.360
  467    HA   HIS  64           HA       HIS  64  54.630  25.711  37.734
  468    HB2  HIS  64           HB2      HIS  64  52.513  25.797  36.548
  469    HB3  HIS  64           HB1      HIS  64  51.700  26.427  37.981
  470    HD2  HIS  64           HD2      HIS  64  51.182  28.984  36.880
  471    HE1  HIS  64           HE1      HIS  64  55.219  30.049  36.258
  472    HE2  HIS  64           HE2      HIS  64  52.829  30.905  36.237
  Start of MODEL   23
    1    H1   MET   1           HT1      MET   1  55.239  48.501  -2.657
    2    H2   MET   1           HT2      MET   1  54.634  47.488  -1.434
    3    H3   MET   1           HT3      MET   1  54.946  49.126  -1.107
    4    HA   MET   1           HA       MET   1  52.913  48.148  -3.036
    5    HB2  MET   1           HB2      MET   1  51.302  48.972  -1.287
    6    HB3  MET   1           HB1      MET   1  52.228  47.556  -0.788
    7    HG2  MET   1           HG2      MET   1  53.817  49.020   0.412
    8    HG3  MET   1           HG1      MET   1  52.876  50.431  -0.074
    9    HE1  MET   1           HE1      MET   1  53.727  49.280   2.906
   10    HE2  MET   1           HE2      MET   1  53.457  47.641   2.318
   11    HE3  MET   1           HE3      MET   1  52.510  48.250   3.672
   12    H    GLU   2           HN       GLU   2  54.840  49.984  -3.783
   13    HA   GLU   2           HA       GLU   2  53.810  52.664  -3.294
   14    HB2  GLU   2           HB2      GLU   2  56.208  51.507  -4.653
   15    HB3  GLU   2           HB1      GLU   2  55.689  53.135  -5.090
   16    HG2  GLU   2           HG2      GLU   2  55.876  52.432  -2.187
   17    HG3  GLU   2           HG1      GLU   2  57.368  52.744  -3.072
   18    H    GLU   3           HN       GLU   3  51.846  52.877  -4.289
   19    HA   GLU   3           HA       GLU   3  51.016  51.810  -6.711
   20    HB2  GLU   3           HB2      GLU   3  50.266  54.328  -5.242
   21    HB3  GLU   3           HB1      GLU   3  49.523  53.920  -6.789
   22    HG2  GLU   3           HG2      GLU   3  48.501  51.997  -5.945
   23    HG3  GLU   3           HG1      GLU   3  49.644  51.856  -4.611
   24    H    GLY   4           HN       GLY   4  51.817  52.021  -8.691
   25    HA2  GLY   4           HA2      GLY   4  53.419  54.399  -9.353
   26    HA3  GLY   4           HA1      GLY   4  53.438  52.868 -10.224
   27    H    GLY   5           HN       GLY   5  50.665  52.484 -10.511
   28    HA2  GLY   5           HA2      GLY   5  49.149  54.600 -11.461
   29    HA3  GLY   5           HA1      GLY   5  50.148  54.083 -12.816
   30    H    ASP   6           HN       ASP   6  47.268  53.923 -12.615
   31    HA   ASP   6           HA       ASP   6  46.301  51.383 -11.943
   32    HB2  ASP   6           HB2      ASP   6  44.345  52.026 -12.965
   33    HB3  ASP   6           HB1      ASP   6  45.103  53.605 -12.771
   34    H    PHE   7           HN       PHE   7  48.625  52.123 -14.185
   35    HA   PHE   7           HA       PHE   7  48.035  50.575 -16.431
   36    HB2  PHE   7           HB2      PHE   7  50.417  51.744 -15.217
   37    HB3  PHE   7           HB1      PHE   7  50.761  50.228 -16.051
   38    HD1  PHE   7           HD2      PHE   7  49.123  53.555 -16.463
   39    HD2  PHE   7           HD1      PHE   7  50.800  50.118 -18.417
   40    HE1  PHE   7           HE2      PHE   7  48.966  54.720 -18.646
   41    HE2  PHE   7           HE1      PHE   7  50.643  51.283 -20.600
   42    HZ   PHE   7           HZ       PHE   7  49.726  53.583 -20.716
   43    H    ASP   8           HN       ASP   8  50.376  49.513 -13.970
   44    HA   ASP   8           HA       ASP   8  50.492  46.857 -14.550
   45    HB2  ASP   8           HB2      ASP   8  51.755  48.080 -12.733
   46    HB3  ASP   8           HB1      ASP   8  50.333  47.879 -11.712
   47    H    ASN   9           HN       ASN   9  49.108  45.209 -14.609
   48    HA   ASN   9           HA       ASN   9  46.877  45.057 -12.748
   49    HB2  ASN   9           HB2      ASN   9  46.297  46.378 -14.994
   50    HB3  ASN   9           HB1      ASN   9  46.109  44.736 -15.607
   51   HD21  ASN   9          HD21      ASN   9  44.116  43.760 -15.193
   52   HD22  ASN   9          HD22      ASN   9  43.002  44.295 -14.029
   53    H    TYR  10           HN       TYR  10  48.605  43.695 -15.514
   54    HA   TYR  10           HA       TYR  10  47.626  41.010 -14.914
   55    HB2  TYR  10           HB2      TYR  10  49.760  41.522 -16.937
   56    HB3  TYR  10           HB1      TYR  10  48.404  40.397 -16.994
   57    HD1  TYR  10           HD2      TYR  10  46.078  41.267 -17.387
   58    HD2  TYR  10           HD1      TYR  10  49.559  43.754 -17.769
   59    HE1  TYR  10           HE2      TYR  10  44.752  42.926 -18.669
   60    HE2  TYR  10           HE1      TYR  10  48.234  45.413 -19.050
   61    HH   TYR  10           HH       TYR  10  44.995  45.554 -19.071
   62    H    TYR  11           HN       TYR  11  50.878  42.375 -15.488
   63    HA   TYR  11           HA       TYR  11  52.930  41.788 -14.627
   64    HB2  TYR  11           HB2      TYR  11  52.135  42.938 -12.671
   65    HB3  TYR  11           HB1      TYR  11  51.177  41.543 -12.175
   66    HD1  TYR  11           HD2      TYR  11  54.696  42.588 -12.906
   67    HD2  TYR  11           HD1      TYR  11  52.108  39.909 -10.767
   68    HE1  TYR  11           HE2      TYR  11  56.650  41.681 -11.677
   69    HE2  TYR  11           HE1      TYR  11  54.062  39.002  -9.538
   70    HH   TYR  11           HH       TYR  11  56.262  39.061  -9.287
   71    H    GLY  12           HN       GLY  12  51.266  39.676 -12.377
   72    HA2  GLY  12           HA2      GLY  12  52.898  37.444 -12.962
   73    HA3  GLY  12           HA1      GLY  12  51.409  37.405 -12.024
   74    H    ALA  13           HN       ALA  13  49.435  37.983 -13.672
   75    HA   ALA  13           HA       ALA  13  48.034  36.994 -15.206
   76    HB1  ALA  13           HB1      ALA  13  50.359  36.698 -17.068
   77    HB2  ALA  13           HB2      ALA  13  49.843  38.316 -16.589
   78    HB3  ALA  13           HB3      ALA  13  48.714  37.237 -17.408
   79    H    ASP  14           HN       ASP  14  48.196  35.076 -17.051
   80    HA   ASP  14           HA       ASP  14  48.135  32.683 -15.667
   81    HB2  ASP  14           HB2      ASP  14  48.799  33.086 -18.594
   82    HB3  ASP  14           HB1      ASP  14  48.254  31.578 -17.861
   83    H    ASN  15           HN       ASN  15  50.866  34.332 -17.108
   84    HA   ASN  15           HA       ASN  15  52.740  32.283 -17.245
   85    HB2  ASN  15           HB2      ASN  15  53.411  35.061 -16.284
   86    HB3  ASN  15           HB1      ASN  15  54.406  33.966 -17.244
   87   HD21  ASN  15          HD21      ASN  15  52.808  33.182 -19.316
   88   HD22  ASN  15          HD22      ASN  15  52.240  34.518 -20.194
   89    H    GLN  16           HN       GLN  16  51.614  34.133 -14.466
   90    HA   GLN  16           HA       GLN  16  52.987  32.208 -12.709
   91    HB2  GLN  16           HB2      GLN  16  52.943  35.184 -12.175
   92    HB3  GLN  16           HB1      GLN  16  53.789  33.941 -11.252
   93    HG2  GLN  16           HG2      GLN  16  55.160  33.422 -13.264
   94    HG3  GLN  16           HG1      GLN  16  54.358  34.737 -14.122
   95   HE21  GLN  16          HE21      GLN  16  57.191  34.106 -12.582
   96   HE22  GLN  16          HE22      GLN  16  57.545  35.647 -11.967
   97    H    SER  17           HN       SER  17  50.418  31.828 -13.261
   98    HA   SER  17           HA       SER  17  49.119  32.379 -10.724
   99    HB2  SER  17           HB2      SER  17  48.581  34.366 -12.170
  100    HB3  SER  17           HB1      SER  17  47.778  33.266 -13.287
  101    HG   SER  17           HG       SER  17  46.303  34.132 -11.794
  102    H    GLU  18           HN       GLU  18  48.424  30.441 -10.149
  103    HA   GLU  18           HA       GLU  18  47.873  28.190 -10.378
  104    HB2  GLU  18           HB2      GLU  18  45.516  27.991 -11.164
  105    HB3  GLU  18           HB1      GLU  18  45.758  29.273  -9.978
  106    HG2  GLU  18           HG2      GLU  18  45.722  30.969 -11.679
  107    HG3  GLU  18           HG1      GLU  18  45.786  29.766 -12.965
  108    H    CYS  19           HN       CYS  19  49.754  28.581 -12.272
  109    HA   CYS  19           HA       CYS  19  48.860  27.953 -14.920
  110    HB2  CYS  19           HB2      CYS  19  50.940  29.023 -14.867
  111    HB3  CYS  19           HB1      CYS  19  51.533  28.015 -13.546
  112    HG   CYS  19           HG       CYS  19  52.440  26.475 -15.251
  113    H    GLU  20           HN       GLU  20  51.136  25.998 -13.025
  114    HA   GLU  20           HA       GLU  20  49.447  23.629 -13.414
  115    HB2  GLU  20           HB2      GLU  20  52.249  23.979 -14.471
  116    HB3  GLU  20           HB1      GLU  20  51.561  22.385 -14.154
  117    HG2  GLU  20           HG2      GLU  20  49.664  22.913 -15.650
  118    HG3  GLU  20           HG1      GLU  20  50.374  24.491 -15.985
  119    H    TYR  21           HN       TYR  21  50.529  25.402 -11.183
  120    HA   TYR  21           HA       TYR  21  51.961  23.339  -9.627
  121    HB2  TYR  21           HB2      TYR  21  51.727  26.320  -9.150
  122    HB3  TYR  21           HB1      TYR  21  52.636  25.188  -8.149
  123    HD1  TYR  21           HD2      TYR  21  54.442  23.748  -9.345
  124    HD2  TYR  21           HD1      TYR  21  52.752  27.331 -11.004
  125    HE1  TYR  21           HE2      TYR  21  56.389  23.961 -10.867
  126    HE2  TYR  21           HE1      TYR  21  54.698  27.545 -12.527
  127    HH   TYR  21           HH       TYR  21  56.969  25.010 -12.970
  128    H    THR  22           HN       THR  22  48.983  24.964  -9.983
  129    HA   THR  22           HA       THR  22  48.028  23.790  -7.448
  130    HB   THR  22           HB       THR  22  46.829  25.733  -6.859
  131    HG1  THR  22           HG1      THR  22  46.072  27.009  -8.330
  132   HG21  THR  22          HG21      THR  22  49.322  26.905  -8.092
  133   HG22  THR  22          HG22      THR  22  49.391  25.841  -6.687
  134   HG23  THR  22          HG23      THR  22  48.522  27.374  -6.593
  135    H    ASP  23           HN       ASP  23  47.361  24.838 -10.729
  136    HA   ASP  23           HA       ASP  23  44.696  24.463 -11.071
  137    HB2  ASP  23           HB2      ASP  23  45.866  25.029 -13.009
  138    HB3  ASP  23           HB1      ASP  23  47.028  23.718 -12.809
  139    H    TRP  24           HN       TRP  24  46.969  22.065 -10.100
  140    HA   TRP  24           HA       TRP  24  45.032  19.903 -10.613
  141    HB2  TRP  24           HB2      TRP  24  47.063  18.467  -9.878
  142    HB3  TRP  24           HB1      TRP  24  47.104  19.223 -11.469
  143    HD1  TRP  24           HD1      TRP  24  48.318  21.792 -11.425
  144    HE1  TRP  24           HE1      TRP  24  50.514  22.439 -10.241
  145    HE3  TRP  24           HE3      TRP  24  48.642  17.993  -8.025
  146    HZ2  TRP  24           HZ2      TRP  24  52.190  21.474  -8.133
  147    HZ3  TRP  24           HZ3      TRP  24  50.547  17.882  -6.444
  148    HH2  TRP  24           HH2      TRP  24  52.319  19.616  -6.493
  149    H    LYS  25           HN       LYS  25  47.465  19.609  -8.168
  150    HA   LYS  25           HA       LYS  25  47.334  19.191  -5.917
  151    HB2  LYS  25           HB2      LYS  25  45.366  21.422  -6.316
  152    HB3  LYS  25           HB1      LYS  25  45.547  20.675  -4.728
  153    HG2  LYS  25           HG2      LYS  25  47.886  21.225  -4.645
  154    HG3  LYS  25           HG1      LYS  25  47.887  21.726  -6.337
  155    HD2  LYS  25           HD2      LYS  25  46.361  23.580  -5.804
  156    HD3  LYS  25           HD1      LYS  25  46.321  23.074  -4.116
  157    HE2  LYS  25           HE2      LYS  25  49.005  23.527  -5.331
  158    HE3  LYS  25           HE1      LYS  25  48.023  24.954  -4.993
  159    HZ1  LYS  25           HZ1      LYS  25  47.690  23.589  -2.742
  160    HZ2  LYS  25           HZ2      LYS  25  48.933  24.724  -2.964
  161    HZ3  LYS  25           HZ3      LYS  25  49.248  23.065  -3.156
  162    H    SER  26           HN       SER  26  45.475  17.805  -7.932
  163    HA   SER  26           HA       SER  26  44.398  15.842  -6.393
  164    HB2  SER  26           HB2      SER  26  42.718  18.288  -6.310
  165    HB3  SER  26           HB1      SER  26  41.884  16.752  -6.526
  166    HG   SER  26           HG       SER  26  43.829  16.561  -4.661
  167    H    SER  27           HN       SER  27  43.572  14.287  -7.677
  168    HA   SER  27           HA       SER  27  43.444  14.797 -10.516
  169    HB2  SER  27           HB2      SER  27  42.988  12.366 -10.665
  170    HB3  SER  27           HB1      SER  27  44.422  12.719  -9.705
  171    HG   SER  27           HG       SER  27  42.084  11.535  -8.987
  172    H    GLY  28           HN       GLY  28  41.560  16.396  -9.639
  173    HA2  GLY  28           HA2      GLY  28  39.320  16.193 -10.961
  174    HA3  GLY  28           HA1      GLY  28  38.982  14.987  -9.723
  175    H    ALA  29           HN       ALA  29  40.715  16.796  -7.885
  176    HA   ALA  29           HA       ALA  29  40.386  18.538  -6.406
  177    HB1  ALA  29           HB1      ALA  29  38.028  19.620  -7.844
  178    HB2  ALA  29           HB2      ALA  29  39.552  19.612  -8.730
  179    HB3  ALA  29           HB3      ALA  29  39.434  20.458  -7.187
  180    H    LEU  30           HN       LEU  30  38.847  15.937  -6.458
  181    HA   LEU  30           HA       LEU  30  36.483  16.752  -4.886
  182    HB2  LEU  30           HB2      LEU  30  35.567  14.572  -5.346
  183    HB3  LEU  30           HB1      LEU  30  36.120  15.262  -6.871
  184    HG   LEU  30           HG       LEU  30  38.382  13.971  -5.957
  185   HD11  LEU  30          HD11      LEU  30  36.819  12.980  -4.166
  186   HD12  LEU  30          HD12      LEU  30  37.781  11.836  -5.104
  187   HD13  LEU  30          HD13      LEU  30  36.076  12.076  -5.485
  188   HD21  LEU  30          HD21      LEU  30  36.174  12.884  -7.734
  189   HD22  LEU  30          HD22      LEU  30  37.840  12.305  -7.707
  190   HD23  LEU  30          HD23      LEU  30  37.485  13.943  -8.252
  191    H    ILE  31           HN       ILE  31  39.622  15.578  -4.585
  192    HA   ILE  31           HA       ILE  31  39.227  13.863  -2.316
  193    HB   ILE  31           HB       ILE  31  41.880  15.116  -2.702
  194   HG12  ILE  31          HG12      ILE  31  40.426  13.565  -4.847
  195   HG13  ILE  31          HG11      ILE  31  41.389  15.033  -5.014
  196   HG21  ILE  31          HG21      ILE  31  41.131  12.198  -2.760
  197   HG22  ILE  31          HG22      ILE  31  41.162  13.092  -1.240
  198   HG23  ILE  31          HG23      ILE  31  42.631  12.941  -2.204
  199   HD11  ILE  31          HD11      ILE  31  42.823  13.360  -5.833
  200   HD12  ILE  31          HD12      ILE  31  42.330  12.205  -4.596
  201   HD13  ILE  31          HD13      ILE  31  43.361  13.569  -4.166
  202    HA   PRO  32           HA       PRO  32  40.830  17.901  -0.057
  203    HB2  PRO  32           HB2      PRO  32  39.367  19.938  -1.632
  204    HB3  PRO  32           HB1      PRO  32  41.029  19.970  -1.015
  205    HG2  PRO  32           HG2      PRO  32  40.482  19.654  -3.616
  206    HG3  PRO  32           HG1      PRO  32  41.870  18.873  -2.838
  207    HD2  PRO  32           HD2      PRO  32  39.246  17.678  -3.654
  208    HD3  PRO  32           HD1      PRO  32  40.871  16.961  -3.693
  209    H    ALA  33           HN       ALA  33  37.800  17.009  -1.336
  210    HA   ALA  33           HA       ALA  33  36.218  18.465   0.631
  211    HB1  ALA  33           HB1      ALA  33  34.327  17.135  -0.429
  212    HB2  ALA  33           HB2      ALA  33  35.523  16.513  -1.566
  213    HB3  ALA  33           HB3      ALA  33  35.181  18.243  -1.503
  214    H    ILE  34           HN       ILE  34  36.861  15.051  -0.191
  215    HA   ILE  34           HA       ILE  34  35.538  13.953   2.050
  216    HB   ILE  34           HB       ILE  34  37.816  12.837   0.399
  217   HG12  ILE  34          HG12      ILE  34  35.118  11.732   0.091
  218   HG13  ILE  34          HG11      ILE  34  35.211  13.438  -0.347
  219   HG21  ILE  34          HG21      ILE  34  36.694  10.646   1.269
  220   HG22  ILE  34          HG22      ILE  34  36.053  11.679   2.546
  221   HG23  ILE  34          HG23      ILE  34  37.796  11.513   2.339
  222   HD11  ILE  34          HD11      ILE  34  37.027  11.251  -1.403
  223   HD12  ILE  34          HD12      ILE  34  37.117  12.957  -1.839
  224   HD13  ILE  34          HD13      ILE  34  35.705  12.004  -2.294
  225    H    TYR  35           HN       TYR  35  39.005  14.563   1.471
  226    HA   TYR  35           HA       TYR  35  40.004  13.716   3.920
  227    HB2  TYR  35           HB2      TYR  35  41.304  14.508   1.874
  228    HB3  TYR  35           HB1      TYR  35  41.031  16.150   2.458
  229    HD1  TYR  35           HD1      TYR  35  41.865  16.814   4.738
  230    HD2  TYR  35           HD2      TYR  35  42.923  13.081   2.896
  231    HE1  TYR  35           HE1      TYR  35  43.757  16.567   6.324
  232    HE2  TYR  35           HE2      TYR  35  44.814  12.833   4.482
  233    HH   TYR  35           HH       TYR  35  45.817  13.662   6.287
  234    H    MET  36           HN       MET  36  38.242  16.616   3.112
  235    HA   MET  36           HA       MET  36  38.910  18.070   5.492
  236    HB2  MET  36           HB2      MET  36  38.087  19.102   3.347
  237    HB3  MET  36           HB1      MET  36  36.492  18.443   3.715
  238    HG2  MET  36           HG2      MET  36  36.102  20.276   4.963
  239    HG3  MET  36           HG1      MET  36  37.338  19.704   6.083
  240    HE1  MET  36           HE1      MET  36  39.673  20.210   6.084
  241    HE2  MET  36           HE2      MET  36  40.542  21.392   5.107
  242    HE3  MET  36           HE3      MET  36  40.048  19.859   4.390
  243    H    LEU  37           HN       LEU  37  35.786  16.689   4.445
  244    HA   LEU  37           HA       LEU  37  34.718  16.728   7.102
  245    HB2  LEU  37           HB2      LEU  37  33.622  15.047   4.860
  246    HB3  LEU  37           HB1      LEU  37  32.751  15.867   6.157
  247    HG   LEU  37           HG       LEU  37  34.157  17.163   3.805
  248   HD11  LEU  37          HD11      LEU  37  32.097  17.381   2.883
  249   HD12  LEU  37          HD12      LEU  37  31.363  17.826   4.424
  250   HD13  LEU  37          HD13      LEU  37  31.604  16.127   4.020
  251   HD21  LEU  37          HD21      LEU  37  32.994  18.303   6.350
  252   HD22  LEU  37          HD22      LEU  37  33.107  19.269   4.879
  253   HD23  LEU  37          HD23      LEU  37  34.569  18.626   5.627
  254    H    VAL  38           HN       VAL  38  37.145  15.387   7.191
  255    HA   VAL  38           HA       VAL  38  36.252  12.695   7.985
  256    HB   VAL  38           HB       VAL  38  38.567  13.390   6.190
  257   HG11  VAL  38          HG11      VAL  38  39.675  12.070   7.802
  258   HG12  VAL  38          HG12      VAL  38  39.167  10.893   6.588
  259   HG13  VAL  38          HG13      VAL  38  38.252  11.065   8.086
  260   HG21  VAL  38          HG21      VAL  38  36.733  11.014   5.999
  261   HG22  VAL  38          HG22      VAL  38  37.572  11.876   4.709
  262   HG23  VAL  38          HG23      VAL  38  36.159  12.599   5.481
  263    H    PHE  39           HN       PHE  39  38.208  15.493   8.478
  264    HA   PHE  39           HA       PHE  39  39.575  14.246  10.769
  265    HB2  PHE  39           HB2      PHE  39  40.457  16.036   8.813
  266    HB3  PHE  39           HB1      PHE  39  40.267  17.019  10.263
  267    HD1  PHE  39           HD1      PHE  39  40.938  15.398  12.484
  268    HD2  PHE  39           HD2      PHE  39  42.672  15.337   8.554
  269    HE1  PHE  39           HE1      PHE  39  43.026  14.439  13.419
  270    HE2  PHE  39           HE2      PHE  39  44.758  14.379   9.488
  271    HZ   PHE  39           HZ       PHE  39  44.936  13.930  11.920
  272    H    LEU  40           HN       LEU  40  37.420  16.906   9.889
  273    HA   LEU  40           HA       LEU  40  37.025  17.515  12.749
  274    HB2  LEU  40           HB2      LEU  40  35.751  19.525  11.699
  275    HB3  LEU  40           HB1      LEU  40  37.515  19.528  11.665
  276    HG   LEU  40           HG       LEU  40  36.200  18.182   9.377
  277   HD11  LEU  40          HD11      LEU  40  35.891  20.482   8.286
  278   HD12  LEU  40          HD12      LEU  40  35.952  21.146   9.919
  279   HD13  LEU  40          HD13      LEU  40  34.676  20.012   9.475
  280   HD21  LEU  40          HD21      LEU  40  38.290  20.357   9.345
  281   HD22  LEU  40          HD22      LEU  40  38.067  19.028   8.207
  282   HD23  LEU  40          HD23      LEU  40  38.708  18.711   9.819
  283    H    LEU  41           HN       LEU  41  35.753  15.539  10.506
  284    HA   LEU  41           HA       LEU  41  33.066  15.708  11.707
  285    HB2  LEU  41           HB2      LEU  41  32.893  16.752   9.512
  286    HB3  LEU  41           HB1      LEU  41  33.669  15.356   8.763
  287    HG   LEU  41           HG       LEU  41  31.370  14.636  10.437
  288   HD11  LEU  41          HD11      LEU  41  29.688  15.465   8.811
  289   HD12  LEU  41          HD12      LEU  41  30.959  16.344   7.962
  290   HD13  LEU  41          HD13      LEU  41  30.528  16.792   9.612
  291   HD21  LEU  41          HD21      LEU  41  31.856  14.153   7.489
  292   HD22  LEU  41          HD22      LEU  41  30.923  13.162   8.610
  293   HD23  LEU  41          HD23      LEU  41  32.680  13.227   8.742
  294    H    GLY  42           HN       GLY  42  35.540  13.808  10.088
  295    HA2  GLY  42           HA2      GLY  42  34.402  11.320   9.885
  296    HA3  GLY  42           HA1      GLY  42  36.089  11.576  10.318
  297    H    THR  43           HN       THR  43  35.779  12.814  12.803
  298    HA   THR  43           HA       THR  43  34.153  11.028  14.449
  299    HB   THR  43           HB       THR  43  36.262   9.801  14.207
  300    HG1  THR  43           HG1      THR  43  35.159  10.618  16.455
  301   HG21  THR  43          HG21      THR  43  37.553  12.016  13.797
  302   HG22  THR  43          HG22      THR  43  38.368  10.731  14.688
  303   HG23  THR  43          HG23      THR  43  37.668  12.098  15.556
  304    H    THR  44           HN       THR  44  36.628  13.589  14.456
  305    HA   THR  44           HA       THR  44  36.089  14.649  16.987
  306    HB   THR  44           HB       THR  44  37.135  15.904  14.451
  307    HG1  THR  44           HG1      THR  44  38.617  15.777  16.758
  308   HG21  THR  44          HG21      THR  44  36.190  17.768  15.548
  309   HG22  THR  44          HG22      THR  44  37.866  17.758  16.097
  310   HG23  THR  44          HG23      THR  44  36.590  17.139  17.146
  311    H    GLY  45           HN       GLY  45  34.091  14.526  14.279
  312    HA2  GLY  45           HA2      GLY  45  32.699  16.962  14.374
  313    HA3  GLY  45           HA1      GLY  45  32.036  15.436  13.796
  314    H    ASN  46           HN       ASN  46  32.572  14.147  16.426
  315    HA   ASN  46           HA       ASN  46  30.893  15.557  18.322
  316    HB2  ASN  46           HB2      ASN  46  29.938  13.107  16.847
  317    HB3  ASN  46           HB1      ASN  46  29.302  13.553  18.430
  318   HD21  ASN  46          HD21      ASN  46  29.637  14.731  15.066
  319   HD22  ASN  46          HD22      ASN  46  28.352  15.835  15.161
  320    H    GLY  47           HN       GLY  47  31.786  12.174  17.614
  321    HA2  GLY  47           HA2      GLY  47  33.773  11.317  18.902
  322    HA3  GLY  47           HA1      GLY  47  32.993  12.024  20.315
  323    H    LEU  48           HN       LEU  48  30.709  10.817  18.159
  324    HA   LEU  48           HA       LEU  48  29.164   9.127  18.429
  325    HB2  LEU  48           HB2      LEU  48  31.851   7.786  18.467
  326    HB3  LEU  48           HB1      LEU  48  30.371   6.838  18.580
  327    HG   LEU  48           HG       LEU  48  31.257   7.154  16.226
  328   HD11  LEU  48          HD11      LEU  48  28.610   7.237  17.172
  329   HD12  LEU  48          HD12      LEU  48  29.133   6.852  15.536
  330   HD13  LEU  48          HD13      LEU  48  28.706   8.509  15.956
  331   HD21  LEU  48          HD21      LEU  48  31.116   9.282  15.167
  332   HD22  LEU  48          HD22      LEU  48  31.939   9.569  16.699
  333   HD23  LEU  48          HD23      LEU  48  30.231   9.979  16.523
  334    H    VAL  49           HN       VAL  49  30.457  10.417  20.935
  335    HA   VAL  49           HA       VAL  49  29.671   8.330  22.878
  336    HB   VAL  49           HB       VAL  49  31.926   8.914  23.306
  337   HG11  VAL  49          HG11      VAL  49  32.073  11.655  23.715
  338   HG12  VAL  49          HG12      VAL  49  31.039  11.520  22.293
  339   HG13  VAL  49          HG13      VAL  49  32.649  10.801  22.284
  340   HG21  VAL  49          HG21      VAL  49  30.523  10.871  25.110
  341   HG22  VAL  49          HG22      VAL  49  31.796   9.716  25.505
  342   HG23  VAL  49          HG23      VAL  49  30.148   9.151  25.223
  343    H    LEU  50           HN       LEU  50  29.149  11.564  21.725
  344    HA   LEU  50           HA       LEU  50  27.188  12.069  23.867
  345    HB2  LEU  50           HB2      LEU  50  27.324  14.411  23.218
  346    HB3  LEU  50           HB1      LEU  50  28.948  13.783  23.502
  347    HG   LEU  50           HG       LEU  50  28.481  13.232  20.810
  348   HD11  LEU  50          HD11      LEU  50  27.782  15.412  19.879
  349   HD12  LEU  50          HD12      LEU  50  27.493  16.015  21.511
  350   HD13  LEU  50          HD13      LEU  50  26.502  14.706  20.866
  351   HD21  LEU  50          HD21      LEU  50  30.101  15.165  20.493
  352   HD22  LEU  50          HD22      LEU  50  30.613  13.949  21.663
  353   HD23  LEU  50          HD23      LEU  50  29.941  15.482  22.221
  354    H    TRP  51           HN       TRP  51  27.305  10.786  20.845
  355    HA   TRP  51           HA       TRP  51  24.987  12.090  19.698
  356    HB2  TRP  51           HB2      TRP  51  26.518  11.280  18.094
  357    HB3  TRP  51           HB1      TRP  51  26.677   9.723  18.908
  358    HD1  TRP  51           HD1      TRP  51  23.612  11.719  17.619
  359    HE1  TRP  51           HE1      TRP  51  22.135  10.110  16.246
  360    HE3  TRP  51           HE3      TRP  51  26.408   7.457  17.945
  361    HZ2  TRP  51           HZ2      TRP  51  22.141   7.379  15.399
  362    HZ3  TRP  51           HZ3      TRP  51  25.650   5.369  16.847
  363    HH2  TRP  51           HH2      TRP  51  23.521   5.325  15.575
  364    H    THR  52           HN       THR  52  25.340   8.597  19.890
  365    HA   THR  52           HA       THR  52  22.732   7.890  20.138
  366    HB   THR  52           HB       THR  52  24.045   6.020  20.004
  367    HG1  THR  52           HG1      THR  52  22.679   5.975  21.976
  368   HG21  THR  52          HG21      THR  52  25.883   7.504  21.876
  369   HG22  THR  52          HG22      THR  52  26.198   6.958  20.229
  370   HG23  THR  52          HG23      THR  52  26.113   5.787  21.544
  371    H    VAL  53           HN       VAL  53  24.896   8.697  22.849
  372    HA   VAL  53           HA       VAL  53  23.243   8.257  24.997
  373    HB   VAL  53           HB       VAL  53  25.173  10.543  24.544
  374   HG11  VAL  53          HG11      VAL  53  23.391   9.855  26.803
  375   HG12  VAL  53          HG12      VAL  53  24.154  11.393  26.399
  376   HG13  VAL  53          HG13      VAL  53  25.074  10.147  27.243
  377   HG21  VAL  53          HG21      VAL  53  26.239   8.364  24.447
  378   HG22  VAL  53          HG22      VAL  53  25.385   7.835  25.896
  379   HG23  VAL  53          HG23      VAL  53  26.619   9.090  26.009
  380    H    PHE  54           HN       PHE  54  23.452  11.288  23.121
  381    HA   PHE  54           HA       PHE  54  21.462  12.720  24.431
  382    HB2  PHE  54           HB2      PHE  54  22.981  12.987  22.040
  383    HB3  PHE  54           HB1      PHE  54  21.289  13.277  21.634
  384    HD1  PHE  54           HD2      PHE  54  23.939  14.207  24.103
  385    HD2  PHE  54           HD1      PHE  54  20.260  15.321  22.187
  386    HE1  PHE  54           HE2      PHE  54  24.068  16.449  25.158
  387    HE2  PHE  54           HE1      PHE  54  20.389  17.563  23.242
  388    HZ   PHE  54           HZ       PHE  54  22.293  18.125  24.727
  389    H    ARG  55           HN       ARG  55  21.195  10.201  22.000
  390    HA   ARG  55           HA       ARG  55  18.347  10.597  21.632
  391    HB2  ARG  55           HB2      ARG  55  20.320   8.545  20.634
  392    HB3  ARG  55           HB1      ARG  55  18.588   8.413  20.328
  393    HG2  ARG  55           HG2      ARG  55  18.564  10.202  18.889
  394    HG3  ARG  55           HG1      ARG  55  19.854  11.044  19.748
  395    HD2  ARG  55           HD2      ARG  55  21.542   9.758  18.723
  396    HD3  ARG  55           HD1      ARG  55  20.411   8.498  18.238
  397    HE   ARG  55           HE       ARG  55  21.004  10.913  16.791
  398   HH11  ARG  55          HH21      ARG  55  18.603   8.529  17.514
  399   HH12  ARG  55          HH22      ARG  55  17.733   8.756  16.033
  400   HH21  ARG  55          HH11      ARG  55  19.869  11.216  14.846
  401   HH22  ARG  55          HH12      ARG  55  18.451  10.277  14.523
  402    H    LYS  56           HN       LYS  56  20.479   8.527  23.494
  403    HA   LYS  56           HA       LYS  56  18.450   6.668  24.300
  404    HB2  LYS  56           HB2      LYS  56  21.155   7.288  25.512
  405    HB3  LYS  56           HB1      LYS  56  20.137   5.912  25.941
  406    HG2  LYS  56           HG2      LYS  56  20.758   6.317  23.050
  407    HG3  LYS  56           HG1      LYS  56  22.051   5.710  24.085
  408    HD2  LYS  56           HD2      LYS  56  20.623   3.871  24.843
  409    HD3  LYS  56           HD1      LYS  56  19.279   4.496  23.885
  410    HE2  LYS  56           HE2      LYS  56  20.402   2.666  22.687
  411    HE3  LYS  56           HE1      LYS  56  20.620   4.189  21.824
  412    HZ1  LYS  56           HZ1      LYS  56  22.806   4.377  22.557
  413    HZ2  LYS  56           HZ2      LYS  56  22.655   2.730  22.172
  414    HZ3  LYS  56           HZ3      LYS  56  22.604   3.234  23.794
  415    H    LYS  57           HN       LYS  57  18.377   9.774  24.806
  416    HA   LYS  57           HA       LYS  57  18.345  10.279  27.545
  417    HB2  LYS  57           HB2      LYS  57  17.988  11.862  25.484
  418    HB3  LYS  57           HB1      LYS  57  16.280  11.514  25.757
  419    HG2  LYS  57           HG2      LYS  57  16.906  12.055  28.273
  420    HG3  LYS  57           HG1      LYS  57  18.225  12.954  27.521
  421    HD2  LYS  57           HD2      LYS  57  15.270  13.302  26.934
  422    HD3  LYS  57           HD1      LYS  57  16.289  14.425  27.836
  423    HE2  LYS  57           HE2      LYS  57  17.763  14.233  25.594
  424    HE3  LYS  57           HE1      LYS  57  16.173  13.907  24.906
  425    HZ1  LYS  57           HZ1      LYS  57  17.051  16.297  26.414
  426    HZ2  LYS  57           HZ2      LYS  57  15.410  15.943  26.148
  427    HZ3  LYS  57           HZ3      LYS  57  16.447  16.222  24.832
  428    H    GLY  58           HN       GLY  58  15.730   9.100  25.443
  429    HA2  GLY  58           HA2      GLY  58  13.950   7.708  25.989
  430    HA3  GLY  58           HA1      GLY  58  14.508   7.699  27.660
  431    H    HIS  59           HN       HIS  59  14.397  10.127  28.585
  432    HA   HIS  59           HA       HIS  59  11.566  10.794  28.500
  433    HB2  HIS  59           HB2      HIS  59  13.854  11.842  30.182
  434    HB3  HIS  59           HB1      HIS  59  12.178  12.368  30.346
  435    HD2  HIS  59           HD2      HIS  59  14.263   9.031  30.854
  436    HE1  HIS  59           HE1      HIS  59  10.591   8.675  32.907
  437    HE2  HIS  59           HE2      HIS  59  12.827   7.556  32.461
  438    H    HIS  60           HN       HIS  60  12.223  11.403  26.087
  439    HA   HIS  60           HA       HIS  60  13.568  13.650  25.329
  440    HB2  HIS  60           HB2      HIS  60  10.817  12.847  24.352
  441    HB3  HIS  60           HB1      HIS  60  11.955  13.886  23.497
  442    HD2  HIS  60           HD2      HIS  60  14.079  11.191  24.993
  443    HE1  HIS  60           HE1      HIS  60  12.878   9.625  21.260
  444    HE2  HIS  60           HE2      HIS  60  14.486   9.333  23.204
  445    H    HIS  61           HN       HIS  61  13.473  15.762  25.760
  446    HA   HIS  61           HA       HIS  61  11.278  16.761  27.417
  447    HB2  HIS  61           HB2      HIS  61  14.001  17.200  27.461
  448    HB3  HIS  61           HB1      HIS  61  13.383  18.659  26.686
  449    HD2  HIS  61           HD2      HIS  61  10.706  19.264  28.374
  450    HE1  HIS  61           HE1      HIS  61  13.064  18.787  31.843
  451    HE2  HIS  61           HE2      HIS  61  10.875  19.706  30.942
  452    H    HIS  62           HN       HIS  62   9.540  17.420  26.309
  453    HA   HIS  62           HA       HIS  62   9.802  18.588  23.658
  454    HB2  HIS  62           HB2      HIS  62   7.418  17.951  25.404
  455    HB3  HIS  62           HB1      HIS  62   7.285  18.716  23.820
  456    HD2  HIS  62           HD2      HIS  62   8.832  15.312  25.215
  457    HE1  HIS  62           HE1      HIS  62   7.572  14.744  21.227
  458    HE2  HIS  62           HE2      HIS  62   8.569  13.599  23.262
  459    H    HIS  63           HN       HIS  63  10.657  19.889  26.338
  460    HA   HIS  63           HA       HIS  63  10.070  22.566  25.580
  461    HB2  HIS  63           HB2      HIS  63   7.868  22.099  26.497
  462    HB3  HIS  63           HB1      HIS  63   8.587  21.476  27.983
  463    HD2  HIS  63           HD2      HIS  63   8.552  24.988  26.087
  464    HE1  HIS  63           HE1      HIS  63   8.972  25.643  30.237
  465    HE2  HIS  63           HE2      HIS  63   8.724  26.780  27.980
  466    H    HIS  64           HN       HIS  64  12.473  21.877  25.840
  467    HA   HIS  64           HA       HIS  64  13.708  21.524  28.302
  468    HB2  HIS  64           HB2      HIS  64  15.703  22.027  27.229
  469    HB3  HIS  64           HB1      HIS  64  14.676  21.605  25.860
  470    HD2  HIS  64           HD2      HIS  64  17.137  24.212  26.309
  471    HE1  HIS  64           HE1      HIS  64  13.915  26.362  24.630
  472    HE2  HIS  64           HE2      HIS  64  16.401  26.430  25.145
  Start of MODEL   24
    1    H1   MET   1           HT1      MET   1  62.475  40.800 -34.060
    2    H2   MET   1           HT2      MET   1  63.835  40.857 -33.042
    3    H3   MET   1           HT3      MET   1  62.412  41.680 -32.610
    4    HA   MET   1           HA       MET   1  63.056  38.837 -32.425
    5    HB2  MET   1           HB2      MET   1  61.581  40.917 -30.811
    6    HB3  MET   1           HB1      MET   1  61.447  39.199 -30.434
    7    HG2  MET   1           HG2      MET   1  63.242  40.266 -29.110
    8    HG3  MET   1           HG1      MET   1  63.894  39.048 -30.205
    9    HE1  MET   1           HE1      MET   1  66.696  41.575 -30.082
   10    HE2  MET   1           HE2      MET   1  65.852  40.300 -29.208
   11    HE3  MET   1           HE3      MET   1  65.483  41.988 -28.864
   12    H    GLU   2           HN       GLU   2  61.747  39.480 -34.823
   13    HA   GLU   2           HA       GLU   2  58.954  39.365 -34.781
   14    HB2  GLU   2           HB2      GLU   2  60.955  38.337 -36.799
   15    HB3  GLU   2           HB1      GLU   2  59.213  38.332 -37.077
   16    HG2  GLU   2           HG2      GLU   2  59.161  40.781 -36.675
   17    HG3  GLU   2           HG1      GLU   2  60.912  40.769 -36.470
   18    H    GLU   3           HN       GLU   3  57.634  37.858 -34.005
   19    HA   GLU   3           HA       GLU   3  58.091  35.062 -34.491
   20    HB2  GLU   3           HB2      GLU   3  58.904  36.242 -31.971
   21    HB3  GLU   3           HB1      GLU   3  57.648  35.028 -31.729
   22    HG2  GLU   3           HG2      GLU   3  58.955  33.412 -33.064
   23    HG3  GLU   3           HG1      GLU   3  60.216  34.623 -33.289
   24    H    GLY   4           HN       GLY   4  56.255  33.751 -33.923
   25    HA2  GLY   4           HA2      GLY   4  53.770  35.001 -34.395
   26    HA3  GLY   4           HA1      GLY   4  53.991  33.343 -33.846
   27    H    GLY   5           HN       GLY   5  55.557  34.423 -31.485
   28    HA2  GLY   5           HA2      GLY   5  54.619  36.058 -29.707
   29    HA3  GLY   5           HA1      GLY   5  53.206  35.012 -29.812
   30    H    ASP   6           HN       ASP   6  56.106  35.536 -28.225
   31    HA   ASP   6           HA       ASP   6  56.975  32.914 -27.647
   32    HB2  ASP   6           HB2      ASP   6  57.469  35.622 -26.606
   33    HB3  ASP   6           HB1      ASP   6  57.679  34.334 -25.422
   34    H    PHE   7           HN       PHE   7  54.038  34.163 -27.043
   35    HA   PHE   7           HA       PHE   7  53.726  32.896 -24.402
   36    HB2  PHE   7           HB2      PHE   7  52.777  35.023 -24.283
   37    HB3  PHE   7           HB1      PHE   7  52.155  34.946 -25.932
   38    HD1  PHE   7           HD2      PHE   7  51.769  33.430 -22.539
   39    HD2  PHE   7           HD1      PHE   7  49.962  34.183 -26.363
   40    HE1  PHE   7           HE2      PHE   7  49.603  32.574 -21.685
   41    HE2  PHE   7           HE1      PHE   7  47.797  33.328 -25.508
   42    HZ   PHE   7           HZ       PHE   7  47.617  32.522 -23.169
   43    H    ASP   8           HN       ASP   8  52.995  32.520 -27.750
   44    HA   ASP   8           HA       ASP   8  50.683  30.955 -27.682
   45    HB2  ASP   8           HB2      ASP   8  52.641  31.682 -29.602
   46    HB3  ASP   8           HB1      ASP   8  52.473  29.928 -29.668
   47    H    ASN   9           HN       ASN   9  50.270  29.040 -26.800
   48    HA   ASN   9           HA       ASN   9  52.432  27.054 -26.594
   49    HB2  ASN   9           HB2      ASN   9  52.159  28.317 -24.415
   50    HB3  ASN   9           HB1      ASN   9  50.539  27.632 -24.312
   51   HD21  ASN   9          HD21      ASN   9  50.430  25.671 -23.215
   52   HD22  ASN   9          HD22      ASN   9  51.727  24.593 -23.019
   53    H    TYR  10           HN       TYR  10  48.981  27.790 -26.469
   54    HA   TYR  10           HA       TYR  10  47.792  25.355 -26.234
   55    HB2  TYR  10           HB2      TYR  10  47.128  27.607 -28.133
   56    HB3  TYR  10           HB1      TYR  10  46.085  26.203 -27.912
   57    HD1  TYR  10           HD1      TYR  10  45.107  25.710 -25.662
   58    HD2  TYR  10           HD2      TYR  10  47.268  29.333 -26.472
   59    HE1  TYR  10           HE1      TYR  10  44.153  26.737 -23.615
   60    HE2  TYR  10           HE2      TYR  10  46.314  30.359 -24.426
   61    HH   TYR  10           HH       TYR  10  43.685  29.119 -22.803
   62    H    TYR  11           HN       TYR  11  48.085  26.600 -29.532
   63    HA   TYR  11           HA       TYR  11  48.469  25.514 -31.523
   64    HB2  TYR  11           HB2      TYR  11  50.768  25.569 -30.741
   65    HB3  TYR  11           HB1      TYR  11  50.507  24.118 -29.773
   66    HD1  TYR  11           HD2      TYR  11  50.368  25.391 -33.288
   67    HD2  TYR  11           HD1      TYR  11  50.823  21.983 -30.712
   68    HE1  TYR  11           HE2      TYR  11  50.917  23.979 -35.252
   69    HE2  TYR  11           HE1      TYR  11  51.371  20.571 -32.676
   70    HH   TYR  11           HH       TYR  11  51.460  20.481 -34.906
   71    H    GLY  12           HN       GLY  12  49.420  22.666 -29.731
   72    HA2  GLY  12           HA2      GLY  12  47.986  20.805 -31.126
   73    HA3  GLY  12           HA1      GLY  12  48.398  20.612 -29.425
   74    H    ALA  13           HN       ALA  13  46.895  22.351 -28.094
   75    HA   ALA  13           HA       ALA  13  44.797  22.418 -27.122
   76    HB1  ALA  13           HB1      ALA  13  44.557  24.245 -28.658
   77    HB2  ALA  13           HB2      ALA  13  43.058  23.318 -28.718
   78    HB3  ALA  13           HB3      ALA  13  44.251  23.147 -30.005
   79    H    ASP  14           HN       ASP  14  43.376  21.487 -30.168
   80    HA   ASP  14           HA       ASP  14  41.643  19.591 -29.198
   81    HB2  ASP  14           HB2      ASP  14  41.080  19.836 -31.362
   82    HB3  ASP  14           HB1      ASP  14  42.719  20.300 -31.817
   83    H    ASN  15           HN       ASN  15  45.050  19.321 -29.606
   84    HA   ASN  15           HA       ASN  15  45.219  16.474 -29.788
   85    HB2  ASN  15           HB2      ASN  15  47.010  18.638 -29.903
   86    HB3  ASN  15           HB1      ASN  15  47.528  17.664 -28.528
   87   HD21  ASN  15          HD21      ASN  15  48.632  15.728 -28.988
   88   HD22  ASN  15          HD22      ASN  15  48.797  15.077 -30.546
   89    H    GLN  16           HN       GLN  16  44.018  18.322 -27.375
   90    HA   GLN  16           HA       GLN  16  44.649  16.274 -25.356
   91    HB2  GLN  16           HB2      GLN  16  44.612  19.229 -24.723
   92    HB3  GLN  16           HB1      GLN  16  45.082  17.904 -23.658
   93    HG2  GLN  16           HG2      GLN  16  46.914  17.362 -25.340
   94    HG3  GLN  16           HG1      GLN  16  46.534  18.897 -26.119
   95   HE21  GLN  16          HE21      GLN  16  48.168  17.429 -23.414
   96   HE22  GLN  16          HE22      GLN  16  48.706  18.872 -22.700
   97    H    SER  17           HN       SER  17  42.333  16.419 -26.913
   98    HA   SER  17           HA       SER  17  40.342  17.011 -24.826
   99    HB2  SER  17           HB2      SER  17  40.419  18.901 -26.479
  100    HB3  SER  17           HB1      SER  17  39.963  17.753 -27.735
  101    HG   SER  17           HG       SER  17  38.452  17.820 -25.386
  102    H    GLU  18           HN       GLU  18  38.641  15.591 -24.746
  103    HA   GLU  18           HA       GLU  18  37.693  13.493 -24.952
  104    HB2  GLU  18           HB2      GLU  18  36.868  14.991 -26.957
  105    HB3  GLU  18           HB1      GLU  18  37.812  13.853 -27.921
  106    HG2  GLU  18           HG2      GLU  18  36.579  11.982 -26.745
  107    HG3  GLU  18           HG1      GLU  18  35.524  13.209 -26.047
  108    H    CYS  19           HN       CYS  19  40.417  13.258 -24.617
  109    HA   CYS  19           HA       CYS  19  40.979  10.872 -26.247
  110    HB2  CYS  19           HB2      CYS  19  42.224  12.884 -27.145
  111    HB3  CYS  19           HB1      CYS  19  43.086  12.943 -25.607
  112    HG   CYS  19           HG       CYS  19  44.450  11.444 -27.308
  113    H    GLU  20           HN       GLU  20  41.843  12.821 -23.409
  114    HA   GLU  20           HA       GLU  20  42.178  10.339 -21.878
  115    HB2  GLU  20           HB2      GLU  20  44.180  12.035 -20.903
  116    HB3  GLU  20           HB1      GLU  20  44.412  10.556 -21.836
  117    HG2  GLU  20           HG2      GLU  20  44.357  11.801 -23.921
  118    HG3  GLU  20           HG1      GLU  20  43.954  13.288 -23.065
  119    H    TYR  21           HN       TYR  21  40.547  13.065 -22.185
  120    HA   TYR  21           HA       TYR  21  40.640  13.892 -19.367
  121    HB2  TYR  21           HB2      TYR  21  39.587  15.105 -21.892
  122    HB3  TYR  21           HB1      TYR  21  38.881  15.591 -20.352
  123    HD1  TYR  21           HD1      TYR  21  42.340  14.792 -21.583
  124    HD2  TYR  21           HD2      TYR  21  39.798  17.560 -19.499
  125    HE1  TYR  21           HE1      TYR  21  44.289  16.265 -21.160
  126    HE2  TYR  21           HE2      TYR  21  41.748  19.031 -19.077
  127    HH   TYR  21           HH       TYR  21  44.479  18.971 -20.688
  128    H    THR  22           HN       THR  22  39.703  11.668 -18.906
  129    HA   THR  22           HA       THR  22  36.955  11.939 -18.251
  130    HB   THR  22           HB       THR  22  36.202  11.407 -20.356
  131    HG1  THR  22           HG1      THR  22  35.319   9.592 -19.846
  132   HG21  THR  22          HG21      THR  22  38.116  11.288 -21.664
  133   HG22  THR  22          HG22      THR  22  37.574   9.610 -21.722
  134   HG23  THR  22          HG23      THR  22  38.874  10.079 -20.628
  135    H    ASP  23           HN       ASP  23  39.503   9.575 -19.004
  136    HA   ASP  23           HA       ASP  23  38.619   7.700 -17.016
  137    HB2  ASP  23           HB2      ASP  23  40.811   6.588 -17.501
  138    HB3  ASP  23           HB1      ASP  23  39.821   6.867 -18.932
  139    H    TRP  24           HN       TRP  24  39.677  10.654 -16.513
  140    HA   TRP  24           HA       TRP  24  41.010   9.926 -13.999
  141    HB2  TRP  24           HB2      TRP  24  42.881  11.259 -14.330
  142    HB3  TRP  24           HB1      TRP  24  42.638  10.599 -15.948
  143    HD1  TRP  24           HD1      TRP  24  40.997  12.219 -17.574
  144    HE1  TRP  24           HE1      TRP  24  41.092  14.784 -17.824
  145    HE3  TRP  24           HE3      TRP  24  43.464  13.433 -13.271
  146    HZ2  TRP  24           HZ2      TRP  24  42.084  17.050 -16.388
  147    HZ3  TRP  24           HZ3      TRP  24  43.970  15.800 -12.737
  148    HH2  TRP  24           HH2      TRP  24  43.283  17.608 -14.290
  149    H    LYS  25           HN       LYS  25  39.610  12.515 -15.988
  150    HA   LYS  25           HA       LYS  25  38.403  14.390 -15.426
  151    HB2  LYS  25           HB2      LYS  25  37.519  12.320 -13.444
  152    HB3  LYS  25           HB1      LYS  25  36.911  13.970 -13.316
  153    HG2  LYS  25           HG2      LYS  25  36.864  12.644 -16.000
  154    HG3  LYS  25           HG1      LYS  25  35.650  12.172 -14.809
  155    HD2  LYS  25           HD2      LYS  25  34.658  14.264 -14.783
  156    HD3  LYS  25           HD1      LYS  25  36.149  15.091 -15.233
  157    HE2  LYS  25           HE2      LYS  25  34.434  15.049 -17.068
  158    HE3  LYS  25           HE1      LYS  25  35.967  14.304 -17.518
  159    HZ1  LYS  25           HZ1      LYS  25  33.454  13.151 -17.592
  160    HZ2  LYS  25           HZ2      LYS  25  34.269  12.396 -16.306
  161    HZ3  LYS  25           HZ3      LYS  25  34.944  12.388 -17.865
  162    H    SER  26           HN       SER  26  38.605  13.467 -12.063
  163    HA   SER  26           HA       SER  26  40.159  15.911 -11.533
  164    HB2  SER  26           HB2      SER  26  39.352  15.602  -9.192
  165    HB3  SER  26           HB1      SER  26  38.046  15.794 -10.358
  166    HG   SER  26           HG       SER  26  37.416  13.835  -9.930
  167    H    SER  27           HN       SER  27  39.872  12.760  -9.883
  168    HA   SER  27           HA       SER  27  41.466  11.450  -8.862
  169    HB2  SER  27           HB2      SER  27  43.398  12.278 -11.000
  170    HB3  SER  27           HB1      SER  27  43.162  10.695 -10.267
  171    HG   SER  27           HG       SER  27  41.185  10.552 -11.358
  172    H    GLY  28           HN       GLY  28  41.442  14.518  -8.498
  173    HA2  GLY  28           HA2      GLY  28  43.157  14.820  -6.409
  174    HA3  GLY  28           HA1      GLY  28  44.168  15.171  -7.807
  175    H    ALA  29           HN       ALA  29  40.723  15.866  -7.558
  176    HA   ALA  29           HA       ALA  29  41.331  18.753  -7.388
  177    HB1  ALA  29           HB1      ALA  29  40.588  17.607  -9.723
  178    HB2  ALA  29           HB2      ALA  29  40.169  19.260  -9.277
  179    HB3  ALA  29           HB3      ALA  29  39.002  17.960  -9.035
  180    H    LEU  30           HN       LEU  30  38.889  16.198  -7.046
  181    HA   LEU  30           HA       LEU  30  37.361  17.948  -5.234
  182    HB2  LEU  30           HB2      LEU  30  35.496  16.463  -5.570
  183    HB3  LEU  30           HB1      LEU  30  36.163  16.872  -7.149
  184    HG   LEU  30           HG       LEU  30  37.636  14.646  -6.453
  185   HD11  LEU  30          HD11      LEU  30  36.200  13.005  -5.507
  186   HD12  LEU  30          HD12      LEU  30  34.771  14.014  -5.727
  187   HD13  LEU  30          HD13      LEU  30  35.965  14.433  -4.499
  188   HD21  LEU  30          HD21      LEU  30  36.230  13.486  -8.121
  189   HD22  LEU  30          HD22      LEU  30  36.593  15.130  -8.644
  190   HD23  LEU  30          HD23      LEU  30  35.008  14.749  -7.972
  191    H    ILE  31           HN       ILE  31  39.471  15.257  -5.268
  192    HA   ILE  31           HA       ILE  31  38.554  13.869  -2.989
  193    HB   ILE  31           HB       ILE  31  41.484  13.952  -3.405
  194   HG12  ILE  31          HG12      ILE  31  39.500  13.254  -5.569
  195   HG13  ILE  31          HG11      ILE  31  41.017  14.146  -5.708
  196   HG21  ILE  31          HG21      ILE  31  40.011  12.338  -1.993
  197   HG22  ILE  31          HG22      ILE  31  41.294  11.650  -2.987
  198   HG23  ILE  31          HG23      ILE  31  39.622  11.591  -3.543
  199   HD11  ILE  31          HD11      ILE  31  40.590  11.184  -5.418
  200   HD12  ILE  31          HD12      ILE  31  42.117  11.917  -4.924
  201   HD13  ILE  31          HD13      ILE  31  41.574  12.053  -6.596
  202    HA   PRO  32           HA       PRO  32  41.541  16.743  -0.519
  203    HB2  PRO  32           HB2      PRO  32  41.618  19.264  -1.984
  204    HB3  PRO  32           HB1      PRO  32  42.964  18.242  -1.455
  205    HG2  PRO  32           HG2      PRO  32  42.238  18.583  -4.056
  206    HG3  PRO  32           HG1      PRO  32  43.082  17.155  -3.437
  207    HD2  PRO  32           HD2      PRO  32  40.192  17.478  -4.142
  208    HD3  PRO  32           HD1      PRO  32  41.248  16.058  -4.311
  209    H    ALA  33           HN       ALA  33  38.587  16.625  -1.056
  210    HA   ALA  33           HA       ALA  33  37.844  18.924   0.618
  211    HB1  ALA  33           HB1      ALA  33  36.049  19.591  -0.759
  212    HB2  ALA  33           HB2      ALA  33  36.138  18.122  -1.731
  213    HB3  ALA  33           HB3      ALA  33  37.393  19.355  -1.877
  214    H    ILE  34           HN       ILE  34  36.784  15.889  -0.887
  215    HA   ILE  34           HA       ILE  34  34.707  15.475   1.077
  216    HB   ILE  34           HB       ILE  34  34.528  13.224  -0.057
  217   HG12  ILE  34          HG12      ILE  34  36.549  14.444  -1.954
  218   HG13  ILE  34          HG11      ILE  34  36.947  13.196  -0.774
  219   HG21  ILE  34          HG21      ILE  34  32.996  14.463  -1.161
  220   HG22  ILE  34          HG22      ILE  34  34.217  14.695  -2.413
  221   HG23  ILE  34          HG23      ILE  34  34.033  15.889  -1.130
  222   HD11  ILE  34          HD11      ILE  34  34.908  12.952  -3.005
  223   HD12  ILE  34          HD12      ILE  34  35.255  11.706  -1.806
  224   HD13  ILE  34          HD13      ILE  34  36.495  12.184  -2.965
  225    H    TYR  35           HN       TYR  35  38.064  14.791   0.822
  226    HA   TYR  35           HA       TYR  35  37.973  12.627   2.783
  227    HB2  TYR  35           HB2      TYR  35  39.907  12.021   1.835
  228    HB3  TYR  35           HB1      TYR  35  39.771  13.394   0.734
  229    HD1  TYR  35           HD2      TYR  35  40.689  15.644   1.447
  230    HD2  TYR  35           HD1      TYR  35  41.488  12.022   3.614
  231    HE1  TYR  35           HE2      TYR  35  42.607  16.741   2.575
  232    HE2  TYR  35           HE1      TYR  35  43.404  13.119   4.743
  233    HH   TYR  35           HH       TYR  35  43.888  15.946   5.207
  234    H    MET  36           HN       MET  36  38.709  16.039   2.567
  235    HA   MET  36           HA       MET  36  39.845  16.132   5.245
  236    HB2  MET  36           HB2      MET  36  40.361  18.379   4.801
  237    HB3  MET  36           HB1      MET  36  40.530  17.603   3.227
  238    HG2  MET  36           HG2      MET  36  39.211  19.419   2.651
  239    HG3  MET  36           HG1      MET  36  37.964  18.225   3.009
  240    HE1  MET  36           HE1      MET  36  38.923  22.114   5.068
  241    HE2  MET  36           HE2      MET  36  38.722  21.744   3.357
  242    HE3  MET  36           HE3      MET  36  40.117  21.112   4.230
  243    H    LEU  37           HN       LEU  37  36.784  16.549   3.688
  244    HA   LEU  37           HA       LEU  37  35.529  18.168   5.668
  245    HB2  LEU  37           HB2      LEU  37  34.666  16.547   3.338
  246    HB3  LEU  37           HB1      LEU  37  33.449  16.833   4.579
  247    HG   LEU  37           HG       LEU  37  35.134  19.042   3.367
  248   HD11  LEU  37          HD11      LEU  37  33.129  19.580   2.013
  249   HD12  LEU  37          HD12      LEU  37  32.339  18.125   2.622
  250   HD13  LEU  37          HD13      LEU  37  33.777  17.991   1.609
  251   HD21  LEU  37          HD21      LEU  37  34.135  20.325   4.929
  252   HD22  LEU  37          HD22      LEU  37  33.321  18.906   5.583
  253   HD23  LEU  37          HD23      LEU  37  32.553  19.854   4.311
  254    H    VAL  38           HN       VAL  38  36.273  14.794   5.419
  255    HA   VAL  38           HA       VAL  38  34.370  13.927   7.409
  256    HB   VAL  38           HB       VAL  38  36.718  12.599   6.050
  257   HG11  VAL  38          HG11      VAL  38  35.668  10.507   7.177
  258   HG12  VAL  38          HG12      VAL  38  34.958  11.656   8.311
  259   HG13  VAL  38          HG13      VAL  38  36.711  11.538   8.158
  260   HG21  VAL  38          HG21      VAL  38  33.710  12.188   5.960
  261   HG22  VAL  38          HG22      VAL  38  34.890  11.209   5.090
  262   HG23  VAL  38          HG23      VAL  38  34.697  12.916   4.692
  263    H    PHE  39           HN       PHE  39  37.278  15.595   7.526
  264    HA   PHE  39           HA       PHE  39  38.489  14.449   9.829
  265    HB2  PHE  39           HB2      PHE  39  39.743  15.910   8.325
  266    HB3  PHE  39           HB1      PHE  39  38.675  17.258   8.714
  267    HD1  PHE  39           HD2      PHE  39  40.965  14.768  10.318
  268    HD2  PHE  39           HD1      PHE  39  39.163  18.661  10.532
  269    HE1  PHE  39           HE2      PHE  39  42.358  15.304  12.299
  270    HE2  PHE  39           HE1      PHE  39  40.556  19.197  12.513
  271    HZ   PHE  39           HZ       PHE  39  42.154  17.519  13.395
  272    H    LEU  40           HN       LEU  40  36.173  17.095   9.367
  273    HA   LEU  40           HA       LEU  40  36.018  17.588  12.231
  274    HB2  LEU  40           HB2      LEU  40  34.320  19.290  11.564
  275    HB3  LEU  40           HB1      LEU  40  35.872  19.506  10.753
  276    HG   LEU  40           HG       LEU  40  34.222  17.700   9.225
  277   HD11  LEU  40          HD11      LEU  40  32.353  18.899  10.343
  278   HD12  LEU  40          HD12      LEU  40  32.422  19.251   8.616
  279   HD13  LEU  40          HD13      LEU  40  33.022  20.431   9.780
  280   HD21  LEU  40          HD21      LEU  40  36.119  18.996   8.349
  281   HD22  LEU  40          HD22      LEU  40  35.274  20.501   8.710
  282   HD23  LEU  40          HD23      LEU  40  34.646  19.412   7.474
  283    H    LEU  41           HN       LEU  41  34.823  15.256  10.274
  284    HA   LEU  41           HA       LEU  41  32.484  14.841  12.021
  285    HB2  LEU  41           HB2      LEU  41  32.559  14.772   9.008
  286    HB3  LEU  41           HB1      LEU  41  31.342  13.881   9.922
  287    HG   LEU  41           HG       LEU  41  31.718  16.681  10.782
  288   HD11  LEU  41          HD11      LEU  41  30.515  16.015   8.076
  289   HD12  LEU  41          HD12      LEU  41  31.983  16.953   8.351
  290   HD13  LEU  41          HD13      LEU  41  30.422  17.585   8.874
  291   HD21  LEU  41          HD21      LEU  41  29.304  16.580  10.952
  292   HD22  LEU  41          HD22      LEU  41  29.950  15.064  11.581
  293   HD23  LEU  41          HD23      LEU  41  29.249  15.119   9.963
  294    H    GLY  42           HN       GLY  42  35.194  13.731  12.024
  295    HA2  GLY  42           HA2      GLY  42  34.457  10.887  11.765
  296    HA3  GLY  42           HA1      GLY  42  35.973  11.459  11.077
  297    H    THR  43           HN       THR  43  35.364  13.300  13.751
  298    HA   THR  43           HA       THR  43  36.200  11.527  15.840
  299    HB   THR  43           HB       THR  43  38.233  13.248  14.452
  300    HG1  THR  43           HG1      THR  43  38.691  10.825  15.765
  301   HG21  THR  43          HG21      THR  43  38.032  12.601  17.383
  302   HG22  THR  43          HG22      THR  43  38.464  14.129  16.616
  303   HG23  THR  43          HG23      THR  43  39.607  12.787  16.614
  304    H    THR  44           HN       THR  44  36.338  14.915  14.747
  305    HA   THR  44           HA       THR  44  36.120  16.142  17.251
  306    HB   THR  44           HB       THR  44  35.190  17.028  14.514
  307    HG1  THR  44           HG1      THR  44  37.510  16.730  15.318
  308   HG21  THR  44          HG21      THR  44  33.862  18.360  15.903
  309   HG22  THR  44          HG22      THR  44  35.319  19.340  15.731
  310   HG23  THR  44          HG23      THR  44  35.065  18.386  17.193
  311    H    GLY  45           HN       GLY  45  33.965  14.069  15.820
  312    HA2  GLY  45           HA2      GLY  45  31.426  14.952  16.028
  313    HA3  GLY  45           HA1      GLY  45  31.898  13.354  16.598
  314    H    ASN  46           HN       ASN  46  32.729  13.237  18.863
  315    HA   ASN  46           HA       ASN  46  32.289  15.338  20.713
  316    HB2  ASN  46           HB2      ASN  46  29.959  15.036  20.301
  317    HB3  ASN  46           HB1      ASN  46  30.113  13.282  20.379
  318   HD21  ASN  46          HD21      ASN  46  31.427  15.806  22.588
  319   HD22  ASN  46          HD22      ASN  46  30.660  15.199  23.975
  320    H    GLY  47           HN       GLY  47  33.451  14.884  22.474
  321    HA2  GLY  47           HA2      GLY  47  34.001  13.415  24.319
  322    HA3  GLY  47           HA1      GLY  47  33.911  12.057  23.203
  323    H    LEU  48           HN       LEU  48  35.383  13.218  21.066
  324    HA   LEU  48           HA       LEU  48  38.067  12.790  22.079
  325    HB2  LEU  48           HB2      LEU  48  36.873  13.168  19.340
  326    HB3  LEU  48           HB1      LEU  48  38.618  13.182  19.578
  327    HG   LEU  48           HG       LEU  48  37.689  10.918  18.976
  328   HD11  LEU  48          HD11      LEU  48  39.640  11.560  20.854
  329   HD12  LEU  48          HD12      LEU  48  39.375   9.970  20.145
  330   HD13  LEU  48          HD13      LEU  48  38.635  10.378  21.691
  331   HD21  LEU  48          HD21      LEU  48  36.274   9.740  20.470
  332   HD22  LEU  48          HD22      LEU  48  35.572  11.354  20.374
  333   HD23  LEU  48          HD23      LEU  48  36.547  10.897  21.771
  334    H    VAL  49           HN       VAL  49  36.043  15.431  21.747
  335    HA   VAL  49           HA       VAL  49  38.156  17.349  21.115
  336    HB   VAL  49           HB       VAL  49  36.350  19.023  21.251
  337   HG11  VAL  49          HG11      VAL  49  34.833  17.853  19.466
  338   HG12  VAL  49          HG12      VAL  49  36.001  16.537  19.592
  339   HG13  VAL  49          HG13      VAL  49  36.532  18.142  19.087
  340   HG21  VAL  49          HG21      VAL  49  34.669  18.505  22.683
  341   HG22  VAL  49          HG22      VAL  49  35.016  16.779  22.595
  342   HG23  VAL  49          HG23      VAL  49  34.015  17.540  21.359
  343    H    LEU  50           HN       LEU  50  37.543  15.641  23.740
  344    HA   LEU  50           HA       LEU  50  38.182  17.867  25.583
  345    HB2  LEU  50           HB2      LEU  50  36.419  15.464  26.118
  346    HB3  LEU  50           HB1      LEU  50  36.944  16.619  27.343
  347    HG   LEU  50           HG       LEU  50  35.854  18.026  25.067
  348   HD11  LEU  50          HD11      LEU  50  34.013  16.018  26.404
  349   HD12  LEU  50          HD12      LEU  50  34.576  15.922  24.737
  350   HD13  LEU  50          HD13      LEU  50  33.531  17.251  25.239
  351   HD21  LEU  50          HD21      LEU  50  34.815  17.737  27.902
  352   HD22  LEU  50          HD22      LEU  50  34.506  19.072  26.793
  353   HD23  LEU  50          HD23      LEU  50  36.126  18.822  27.441
  354    H    TRP  51           HN       TRP  51  39.326  15.175  24.107
  355    HA   TRP  51           HA       TRP  51  40.834  14.179  26.423
  356    HB2  TRP  51           HB2      TRP  51  39.985  12.372  25.188
  357    HB3  TRP  51           HB1      TRP  51  40.340  13.142  23.641
  358    HD1  TRP  51           HD1      TRP  51  42.395  12.021  26.734
  359    HE1  TRP  51           HE1      TRP  51  44.582  10.948  25.888
  360    HE3  TRP  51           HE3      TRP  51  41.764  12.586  21.698
  361    HZ2  TRP  51           HZ2      TRP  51  45.890  10.402  23.404
  362    HZ3  TRP  51           HZ3      TRP  51  43.494  11.780  20.116
  363    HH2  TRP  51           HH2      TRP  51  45.555  10.691  20.963
  364    H    THR  52           HN       THR  52  41.739  14.651  23.011
  365    HA   THR  52           HA       THR  52  44.447  15.044  23.403
  366    HB   THR  52           HB       THR  52  43.965  14.841  21.168
  367    HG1  THR  52           HG1      THR  52  43.934  17.131  20.298
  368   HG21  THR  52          HG21      THR  52  41.641  14.886  21.073
  369   HG22  THR  52          HG22      THR  52  42.049  16.351  20.181
  370   HG23  THR  52          HG23      THR  52  41.538  16.459  21.865
  371    H    VAL  53           HN       VAL  53  41.878  17.505  23.305
  372    HA   VAL  53           HA       VAL  53  43.469  19.778  23.616
  373    HB   VAL  53           HB       VAL  53  40.678  19.259  24.670
  374   HG11  VAL  53          HG11      VAL  53  40.701  21.880  24.244
  375   HG12  VAL  53          HG12      VAL  53  42.430  21.685  24.536
  376   HG13  VAL  53          HG13      VAL  53  41.268  21.211  25.775
  377   HG21  VAL  53          HG21      VAL  53  41.786  20.307  22.057
  378   HG22  VAL  53          HG22      VAL  53  40.123  20.609  22.560
  379   HG23  VAL  53          HG23      VAL  53  40.680  18.956  22.302
  380    H    PHE  54           HN       PHE  54  43.174  17.195  25.706
  381    HA   PHE  54           HA       PHE  54  43.664  18.808  28.118
  382    HB2  PHE  54           HB2      PHE  54  41.978  16.821  27.968
  383    HB3  PHE  54           HB1      PHE  54  43.421  15.816  28.101
  384    HD1  PHE  54           HD2      PHE  54  41.636  18.665  29.737
  385    HD2  PHE  54           HD1      PHE  54  44.432  15.437  30.196
  386    HE1  PHE  54           HE2      PHE  54  41.688  19.058  32.185
  387    HE2  PHE  54           HE1      PHE  54  44.484  15.830  32.644
  388    HZ   PHE  54           HZ       PHE  54  43.113  17.640  33.638
  389    H    ARG  55           HN       ARG  55  45.474  17.775  25.692
  390    HA   ARG  55           HA       ARG  55  47.893  17.739  27.226
  391    HB2  ARG  55           HB2      ARG  55  48.626  15.470  26.557
  392    HB3  ARG  55           HB1      ARG  55  47.223  15.425  27.626
  393    HG2  ARG  55           HG2      ARG  55  46.201  15.630  24.997
  394    HG3  ARG  55           HG1      ARG  55  47.473  14.409  24.938
  395    HD2  ARG  55           HD2      ARG  55  45.174  14.459  26.912
  396    HD3  ARG  55           HD1      ARG  55  45.297  13.398  25.512
  397    HE   ARG  55           HE       ARG  55  46.684  13.098  28.029
  398   HH11  ARG  55          HH21      ARG  55  46.684  12.448  24.630
  399   HH12  ARG  55          HH22      ARG  55  47.691  11.044  24.759
  400   HH21  ARG  55          HH11      ARG  55  48.005  11.258  28.205
  401   HH22  ARG  55          HH12      ARG  55  48.438  10.371  26.782
  402    H    LYS  56           HN       LYS  56  48.155  19.514  25.726
  403    HA   LYS  56           HA       LYS  56  49.606  18.732  23.374
  404    HB2  LYS  56           HB2      LYS  56  48.186  19.922  21.751
  405    HB3  LYS  56           HB1      LYS  56  47.327  18.566  22.482
  406    HG2  LYS  56           HG2      LYS  56  45.696  20.071  22.941
  407    HG3  LYS  56           HG1      LYS  56  46.766  20.629  24.226
  408    HD2  LYS  56           HD2      LYS  56  46.237  22.589  22.994
  409    HD3  LYS  56           HD1      LYS  56  47.849  22.135  22.442
  410    HE2  LYS  56           HE2      LYS  56  46.216  20.697  20.743
  411    HE3  LYS  56           HE1      LYS  56  45.316  22.198  20.957
  412    HZ1  LYS  56           HZ1      LYS  56  46.722  23.171  19.577
  413    HZ2  LYS  56           HZ2      LYS  56  47.632  21.744  19.431
  414    HZ3  LYS  56           HZ3      LYS  56  47.998  22.869  20.652
  415    H    LYS  57           HN       LYS  57  48.092  21.260  25.298
  416    HA   LYS  57           HA       LYS  57  49.408  23.496  24.240
  417    HB2  LYS  57           HB2      LYS  57  48.974  24.539  26.455
  418    HB3  LYS  57           HB1      LYS  57  47.552  23.729  25.795
  419    HG2  LYS  57           HG2      LYS  57  47.430  22.519  27.688
  420    HG3  LYS  57           HG1      LYS  57  48.959  21.759  27.248
  421    HD2  LYS  57           HD2      LYS  57  49.224  22.726  29.448
  422    HD3  LYS  57           HD1      LYS  57  50.148  23.710  28.312
  423    HE2  LYS  57           HE2      LYS  57  48.990  25.505  29.022
  424    HE3  LYS  57           HE1      LYS  57  47.546  24.791  28.304
  425    HZ1  LYS  57           HZ1      LYS  57  47.036  23.698  30.332
  426    HZ2  LYS  57           HZ2      LYS  57  47.355  25.323  30.712
  427    HZ3  LYS  57           HZ3      LYS  57  48.523  24.129  31.026
  428    H    GLY  58           HN       GLY  58  50.728  20.815  25.751
  429    HA2  GLY  58           HA2      GLY  58  52.772  20.347  26.715
  430    HA3  GLY  58           HA1      GLY  58  53.370  21.571  25.598
  431    H    HIS  59           HN       HIS  59  51.320  21.697  28.519
  432    HA   HIS  59           HA       HIS  59  51.375  23.135  30.320
  433    HB2  HIS  59           HB2      HIS  59  54.283  23.215  30.533
  434    HB3  HIS  59           HB1      HIS  59  53.093  22.533  31.642
  435    HD2  HIS  59           HD2      HIS  59  52.054  19.893  30.496
  436    HE1  HIS  59           HE1      HIS  59  55.851  19.063  28.846
  437    HE2  HIS  59           HE2      HIS  59  53.603  18.059  29.467
  438    H    HIS  60           HN       HIS  60  52.019  24.192  27.455
  439    HA   HIS  60           HA       HIS  60  53.341  26.709  28.223
  440    HB2  HIS  60           HB2      HIS  60  53.543  25.081  25.946
  441    HB3  HIS  60           HB1      HIS  60  52.648  26.508  25.421
  442    HD2  HIS  60           HD2      HIS  60  54.093  28.991  26.595
  443    HE1  HIS  60           HE1      HIS  60  57.814  27.148  25.838
  444    HE2  HIS  60           HE2      HIS  60  56.668  29.352  26.364
  445    H    HIS  61           HN       HIS  61  51.852  28.044  29.098
  446    HA   HIS  61           HA       HIS  61  49.232  28.308  27.782
  447    HB2  HIS  61           HB2      HIS  61  49.781  28.059  30.413
  448    HB3  HIS  61           HB1      HIS  61  49.818  29.817  30.264
  449    HD2  HIS  61           HD2      HIS  61  47.258  27.180  28.689
  450    HE1  HIS  61           HE1      HIS  61  45.103  30.302  30.540
  451    HE2  HIS  61           HE2      HIS  61  44.891  28.151  29.208
  452    H    HIS  62           HN       HIS  62  52.002  29.480  27.029
  453    HA   HIS  62           HA       HIS  62  50.956  32.074  26.241
  454    HB2  HIS  62           HB2      HIS  62  52.069  32.275  28.573
  455    HB3  HIS  62           HB1      HIS  62  53.587  32.060  27.700
  456    HD2  HIS  62           HD2      HIS  62  52.902  35.051  28.978
  457    HE1  HIS  62           HE1      HIS  62  52.178  36.156  24.968
  458    HE2  HIS  62           HE2      HIS  62  52.648  37.038  27.303
  459    H    HIS  63           HN       HIS  63  53.968  32.788  25.983
  460    HA   HIS  63           HA       HIS  63  54.998  30.945  24.040
  461    HB2  HIS  63           HB2      HIS  63  53.155  32.155  22.785
  462    HB3  HIS  63           HB1      HIS  63  54.110  33.626  22.968
  463    HD2  HIS  63           HD2      HIS  63  56.053  33.919  21.017
  464    HE1  HIS  63           HE1      HIS  63  56.101  29.932  19.631
  465    HE2  HIS  63           HE2      HIS  63  57.035  32.263  19.253
  466    H    HIS  64           HN       HIS  64  56.383  31.573  26.103
  467    HA   HIS  64           HA       HIS  64  57.756  33.953  26.355
  468    HB2  HIS  64           HB2      HIS  64  58.078  31.252  27.271
  469    HB3  HIS  64           HB1      HIS  64  59.649  31.893  26.792
  470    HD2  HIS  64           HD2      HIS  64  57.032  32.363  29.623
  471    HE1  HIS  64           HE1      HIS  64  60.047  35.259  30.216
  472    HE2  HIS  64           HE2      HIS  64  57.994  34.172  31.242
  Start of MODEL   25
    1    H1   MET   1           HT1      MET   1  66.239  49.181 -24.370
    2    H2   MET   1           HT2      MET   1  66.893  49.067 -22.806
    3    H3   MET   1           HT3      MET   1  65.315  49.654 -23.030
    4    HA   MET   1           HA       MET   1  65.239  47.395 -22.218
    5    HB2  MET   1           HB2      MET   1  64.472  47.736 -25.133
    6    HB3  MET   1           HB1      MET   1  63.905  46.424 -24.100
    7    HG2  MET   1           HG2      MET   1  63.557  49.046 -22.855
    8    HG3  MET   1           HG1      MET   1  62.687  48.907 -24.383
    9    HE1  MET   1           HE1      MET   1  59.854  48.293 -21.884
   10    HE2  MET   1           HE2      MET   1  60.590  49.339 -23.096
   11    HE3  MET   1           HE3      MET   1  61.269  49.272 -21.472
   12    H    GLU   2           HN       GLU   2  67.966  47.588 -22.685
   13    HA   GLU   2           HA       GLU   2  68.637  45.423 -24.553
   14    HB2  GLU   2           HB2      GLU   2  70.237  47.526 -23.114
   15    HB3  GLU   2           HB1      GLU   2  71.026  46.108 -23.809
   16    HG2  GLU   2           HG2      GLU   2  70.031  46.631 -26.006
   17    HG3  GLU   2           HG1      GLU   2  69.249  48.051 -25.314
   18    H    GLU   3           HN       GLU   3  67.356  44.065 -22.879
   19    HA   GLU   3           HA       GLU   3  68.352  43.453 -20.348
   20    HB2  GLU   3           HB2      GLU   3  66.972  41.646 -22.346
   21    HB3  GLU   3           HB1      GLU   3  67.210  41.264 -20.641
   22    HG2  GLU   3           HG2      GLU   3  65.587  42.707 -19.955
   23    HG3  GLU   3           HG1      GLU   3  66.004  43.911 -21.173
   24    H    GLY   4           HN       GLY   4  69.744  41.838 -19.577
   25    HA2  GLY   4           HA2      GLY   4  71.312  40.065 -19.823
   26    HA3  GLY   4           HA1      GLY   4  71.433  40.444 -21.538
   27    H    GLY   5           HN       GLY   5  71.785  42.404 -18.577
   28    HA2  GLY   5           HA2      GLY   5  74.600  42.895 -19.223
   29    HA3  GLY   5           HA1      GLY   5  73.528  44.292 -19.188
   30    H    ASP   6           HN       ASP   6  74.855  41.655 -17.255
   31    HA   ASP   6           HA       ASP   6  74.999  41.354 -14.968
   32    HB2  ASP   6           HB2      ASP   6  76.436  43.530 -15.734
   33    HB3  ASP   6           HB1      ASP   6  75.386  44.245 -14.513
   34    H    PHE   7           HN       PHE   7  74.412  42.847 -12.792
   35    HA   PHE   7           HA       PHE   7  72.712  43.446 -11.380
   36    HB2  PHE   7           HB2      PHE   7  72.006  45.411 -12.206
   37    HB3  PHE   7           HB1      PHE   7  72.149  44.859 -13.872
   38    HD1  PHE   7           HD2      PHE   7  69.936  45.037 -10.922
   39    HD2  PHE   7           HD1      PHE   7  70.260  43.888 -15.049
   40    HE1  PHE   7           HE2      PHE   7  67.470  44.806 -11.052
   41    HE2  PHE   7           HE1      PHE   7  67.795  43.656 -15.177
   42    HZ   PHE   7           HZ       PHE   7  66.400  44.115 -13.178
   43    H    ASP   8           HN       ASP   8  72.319  41.187 -13.824
   44    HA   ASP   8           HA       ASP   8  69.664  40.428 -13.780
   45    HB2  ASP   8           HB2      ASP   8  72.177  39.224 -14.498
   46    HB3  ASP   8           HB1      ASP   8  71.159  38.037 -13.685
   47    H    ASN   9           HN       ASN   9  68.350  39.313 -12.415
   48    HA   ASN   9           HA       ASN   9  69.475  38.185  -9.950
   49    HB2  ASN   9           HB2      ASN   9  68.504  40.699  -9.843
   50    HB3  ASN   9           HB1      ASN   9  67.010  39.796  -9.600
   51   HD21  ASN   9          HD21      ASN   9  66.610  39.263  -7.454
   52   HD22  ASN   9          HD22      ASN   9  67.798  39.092  -6.254
   53    H    TYR  10           HN       TYR  10  67.800  37.609 -12.593
   54    HA   TYR  10           HA       TYR  10  66.375  35.908 -13.203
   55    HB2  TYR  10           HB2      TYR  10  65.980  35.078 -10.356
   56    HB3  TYR  10           HB1      TYR  10  66.110  34.082 -11.805
   57    HD1  TYR  10           HD1      TYR  10  68.525  34.974 -13.109
   58    HD2  TYR  10           HD2      TYR  10  67.736  34.515  -8.910
   59    HE1  TYR  10           HE1      TYR  10  70.950  34.669 -12.686
   60    HE2  TYR  10           HE2      TYR  10  70.161  34.209  -8.489
   61    HH   TYR  10           HH       TYR  10  72.494  34.104 -11.170
   62    H    TYR  11           HN       TYR  11  65.490  37.676 -10.265
   63    HA   TYR  11           HA       TYR  11  63.532  38.689  -9.628
   64    HB2  TYR  11           HB2      TYR  11  63.710  39.022 -12.435
   65    HB3  TYR  11           HB1      TYR  11  62.036  38.603 -12.074
   66    HD1  TYR  11           HD1      TYR  11  60.923  39.854 -10.074
   67    HD2  TYR  11           HD2      TYR  11  64.460  41.220 -12.093
   68    HE1  TYR  11           HE1      TYR  11  60.530  42.146  -9.211
   69    HE2  TYR  11           HE2      TYR  11  64.067  43.511 -11.231
   70    HH   TYR  11           HH       TYR  11  62.848  44.768  -9.845
   71    H    GLY  12           HN       GLY  12  62.344  36.541 -12.215
   72    HA2  GLY  12           HA2      GLY  12  60.135  35.623 -10.670
   73    HA3  GLY  12           HA1      GLY  12  60.688  34.936 -12.195
   74    H    ALA  13           HN       ALA  13  62.934  33.779 -11.911
   75    HA   ALA  13           HA       ALA  13  63.809  31.762 -11.182
   76    HB1  ALA  13           HB1      ALA  13  65.198  32.919  -9.772
   77    HB2  ALA  13           HB2      ALA  13  64.279  32.022  -8.564
   78    HB3  ALA  13           HB3      ALA  13  63.864  33.698  -8.922
   79    H    ASP  14           HN       ASP  14  62.351  32.298  -8.057
   80    HA   ASP  14           HA       ASP  14  61.333  29.746  -7.739
   81    HB2  ASP  14           HB2      ASP  14  61.142  32.265  -6.363
   82    HB3  ASP  14           HB1      ASP  14  59.568  31.471  -6.366
   83    H    ASN  15           HN       ASN  15  60.120  32.316  -9.671
   84    HA   ASN  15           HA       ASN  15  57.380  31.742  -9.756
   85    HB2  ASN  15           HB2      ASN  15  58.449  33.740 -10.783
   86    HB3  ASN  15           HB1      ASN  15  59.118  32.700 -12.040
   87   HD21  ASN  15          HD21      ASN  15  55.956  33.640 -10.590
   88   HD22  ASN  15          HD22      ASN  15  55.075  33.443 -12.028
   89    H    GLN  16           HN       GLN  16  60.097  30.316 -11.515
   90    HA   GLN  16           HA       GLN  16  58.264  28.442 -12.849
   91    HB2  GLN  16           HB2      GLN  16  61.232  28.539 -13.300
   92    HB3  GLN  16           HB1      GLN  16  59.955  28.044 -14.411
   93    HG2  GLN  16           HG2      GLN  16  59.192  30.593 -13.987
   94    HG3  GLN  16           HG1      GLN  16  60.927  30.773 -13.737
   95   HE21  GLN  16          HE21      GLN  16  58.453  29.946 -16.135
   96   HE22  GLN  16          HE22      GLN  16  59.491  30.004 -17.478
   97    H    SER  17           HN       SER  17  58.537  28.108 -10.084
   98    HA   SER  17           HA       SER  17  59.802  25.457 -10.015
   99    HB2  SER  17           HB2      SER  17  61.272  27.379  -9.017
  100    HB3  SER  17           HB1      SER  17  60.143  27.296  -7.668
  101    HG   SER  17           HG       SER  17  62.148  25.611  -8.364
  102    H    GLU  18           HN       GLU  18  58.442  24.008  -9.221
  103    HA   GLU  18           HA       GLU  18  56.374  23.222  -8.494
  104    HB2  GLU  18           HB2      GLU  18  56.265  23.362  -6.007
  105    HB3  GLU  18           HB1      GLU  18  57.839  22.850  -6.614
  106    HG2  GLU  18           HG2      GLU  18  58.778  25.033  -6.259
  107    HG3  GLU  18           HG1      GLU  18  57.193  25.728  -5.927
  108    H    CYS  19           HN       CYS  19  55.782  25.484  -9.859
  109    HA   CYS  19           HA       CYS  19  54.340  27.393  -8.267
  110    HB2  CYS  19           HB2      CYS  19  55.384  27.731 -10.606
  111    HB3  CYS  19           HB1      CYS  19  53.927  26.947 -11.216
  112    HG   CYS  19           HG       CYS  19  53.297  29.236  -9.293
  113    H    GLU  20           HN       GLU  20  53.423  25.005  -7.419
  114    HA   GLU  20           HA       GLU  20  51.540  23.716  -7.119
  115    HB2  GLU  20           HB2      GLU  20  50.229  26.244  -8.148
  116    HB3  GLU  20           HB1      GLU  20  49.401  24.936  -7.304
  117    HG2  GLU  20           HG2      GLU  20  51.813  26.175  -6.028
  118    HG3  GLU  20           HG1      GLU  20  50.279  27.043  -5.966
  119    H    TYR  21           HN       TYR  21  52.482  22.494  -9.040
  120    HA   TYR  21           HA       TYR  21  50.375  22.264 -11.076
  121    HB2  TYR  21           HB2      TYR  21  51.775  22.489 -12.891
  122    HB3  TYR  21           HB1      TYR  21  52.544  23.622 -11.780
  123    HD1  TYR  21           HD2      TYR  21  54.572  22.952 -10.504
  124    HD2  TYR  21           HD1      TYR  21  52.833  20.413 -13.500
  125    HE1  TYR  21           HE2      TYR  21  56.657  21.611 -10.577
  126    HE2  TYR  21           HE1      TYR  21  54.919  19.072 -13.575
  127    HH   TYR  21           HH       TYR  21  56.987  18.851 -12.815
  128    H    THR  22           HN       THR  22  51.916  20.815  -8.677
  129    HA   THR  22           HA       THR  22  51.416  18.159  -9.731
  130    HB   THR  22           HB       THR  22  53.730  18.557 -10.472
  131    HG1  THR  22           HG1      THR  22  54.485  16.682  -9.652
  132   HG21  THR  22          HG21      THR  22  53.985  20.086  -8.246
  133   HG22  THR  22          HG22      THR  22  55.359  19.432  -9.137
  134   HG23  THR  22          HG23      THR  22  54.765  18.603  -7.699
  135    H    ASP  23           HN       ASP  23  52.560  20.213  -7.100
  136    HA   ASP  23           HA       ASP  23  52.359  18.298  -5.024
  137    HB2  ASP  23           HB2      ASP  23  53.373  20.766  -5.127
  138    HB3  ASP  23           HB1      ASP  23  51.798  21.164  -4.444
  139    H    TRP  24           HN       TRP  24  50.042  20.557  -6.440
  140    HA   TRP  24           HA       TRP  24  47.964  19.702  -4.565
  141    HB2  TRP  24           HB2      TRP  24  46.769  21.570  -5.210
  142    HB3  TRP  24           HB1      TRP  24  48.415  22.135  -5.499
  143    HD1  TRP  24           HD1      TRP  24  49.272  22.229  -8.021
  144    HE1  TRP  24           HE1      TRP  24  47.996  22.332 -10.260
  145    HE3  TRP  24           HE3      TRP  24  44.625  20.802  -6.457
  146    HZ2  TRP  24           HZ2      TRP  24  45.355  21.872 -11.255
  147    HZ3  TRP  24           HZ3      TRP  24  42.750  20.643  -8.069
  148    HH2  TRP  24           HH2      TRP  24  43.109  21.176 -10.464
  149    H    LYS  25           HN       LYS  25  49.263  18.291  -7.111
  150    HA   LYS  25           HA       LYS  25  47.481  17.808  -9.103
  151    HB2  LYS  25           HB2      LYS  25  49.676  16.700  -8.935
  152    HB3  LYS  25           HB1      LYS  25  49.060  15.682  -7.633
  153    HG2  LYS  25           HG2      LYS  25  48.070  14.282  -9.094
  154    HG3  LYS  25           HG1      LYS  25  47.282  15.620  -9.930
  155    HD2  LYS  25           HD2      LYS  25  50.193  14.893 -10.341
  156    HD3  LYS  25           HD1      LYS  25  48.889  14.284 -11.361
  157    HE2  LYS  25           HE2      LYS  25  48.683  17.161 -11.012
  158    HE3  LYS  25           HE1      LYS  25  50.254  16.711 -11.676
  159    HZ1  LYS  25           HZ1      LYS  25  48.518  15.136 -13.038
  160    HZ2  LYS  25           HZ2      LYS  25  49.188  16.588 -13.612
  161    HZ3  LYS  25           HZ3      LYS  25  47.653  16.587 -12.884
  162    H    SER  26           HN       SER  26  45.463  17.073  -9.277
  163    HA   SER  26           HA       SER  26  44.218  15.830  -6.910
  164    HB2  SER  26           HB2      SER  26  42.236  16.478  -8.799
  165    HB3  SER  26           HB1      SER  26  42.589  17.317  -7.292
  166    HG   SER  26           HG       SER  26  42.810  18.792  -8.926
  167    H    SER  27           HN       SER  27  44.795  13.692  -7.219
  168    HA   SER  27           HA       SER  27  44.817  12.235  -9.576
  169    HB2  SER  27           HB2      SER  27  45.481  10.692  -8.094
  170    HB3  SER  27           HB1      SER  27  44.869  11.668  -6.761
  171    HG   SER  27           HG       SER  27  43.555   9.691  -8.294
  172    H    GLY  28           HN       GLY  28  42.164  12.092  -7.189
  173    HA2  GLY  28           HA2      GLY  28  40.324  11.363  -9.368
  174    HA3  GLY  28           HA1      GLY  28  40.036  11.110  -7.649
  175    H    ALA  29           HN       ALA  29  41.198  13.987  -7.367
  176    HA   ALA  29           HA       ALA  29  40.419  16.160  -7.351
  177    HB1  ALA  29           HB1      ALA  29  39.027  16.901  -9.027
  178    HB2  ALA  29           HB2      ALA  29  37.988  15.480  -8.943
  179    HB3  ALA  29           HB3      ALA  29  39.557  15.379  -9.741
  180    H    LEU  30           HN       LEU  30  39.908  14.563  -5.225
  181    HA   LEU  30           HA       LEU  30  37.499  15.753  -4.171
  182    HB2  LEU  30           HB2      LEU  30  36.285  13.778  -3.669
  183    HB3  LEU  30           HB1      LEU  30  36.741  13.633  -5.365
  184    HG   LEU  30           HG       LEU  30  38.049  12.270  -2.992
  185   HD11  LEU  30          HD11      LEU  30  37.312  10.247  -4.033
  186   HD12  LEU  30          HD12      LEU  30  36.856  11.096  -5.510
  187   HD13  LEU  30          HD13      LEU  30  35.925  11.336  -4.031
  188   HD21  LEU  30          HD21      LEU  30  39.470  11.217  -4.863
  189   HD22  LEU  30          HD22      LEU  30  39.876  12.868  -4.401
  190   HD23  LEU  30          HD23      LEU  30  38.942  12.565  -5.867
  191    H    ILE  31           HN       ILE  31  40.511  15.424  -3.747
  192    HA   ILE  31           HA       ILE  31  40.776  14.085  -1.224
  193    HB   ILE  31           HB       ILE  31  42.700  16.147  -2.287
  194   HG12  ILE  31          HG12      ILE  31  43.629  13.690  -3.140
  195   HG13  ILE  31          HG11      ILE  31  41.899  13.569  -3.455
  196   HG21  ILE  31          HG21      ILE  31  44.151  15.246  -0.786
  197   HG22  ILE  31          HG22      ILE  31  43.582  13.602  -1.079
  198   HG23  ILE  31          HG23      ILE  31  42.688  14.665   0.009
  199   HD11  ILE  31          HD11      ILE  31  42.872  14.527  -5.423
  200   HD12  ILE  31          HD12      ILE  31  43.818  15.673  -4.474
  201   HD13  ILE  31          HD13      ILE  31  42.067  15.849  -4.577
  202    HA   PRO  32           HA       PRO  32  40.492  18.463   0.563
  203    HB2  PRO  32           HB2      PRO  32  39.471  20.474  -0.957
  204    HB3  PRO  32           HB1      PRO  32  41.184  20.018  -0.989
  205    HG2  PRO  32           HG2      PRO  32  39.091  19.574  -2.994
  206    HG3  PRO  32           HG1      PRO  32  40.848  19.631  -3.185
  207    HD2  PRO  32           HD2      PRO  32  39.180  17.300  -3.033
  208    HD3  PRO  32           HD1      PRO  32  40.948  17.360  -3.174
  209    H    ALA  33           HN       ALA  33  38.187  16.597  -0.695
  210    HA   ALA  33           HA       ALA  33  35.915  18.122   0.418
  211    HB1  ALA  33           HB1      ALA  33  34.497  16.546  -0.861
  212    HB2  ALA  33           HB2      ALA  33  35.951  15.760  -1.476
  213    HB3  ALA  33           HB3      ALA  33  35.605  17.435  -1.906
  214    H    ILE  34           HN       ILE  34  37.049  14.742   0.160
  215    HA   ILE  34           HA       ILE  34  35.512  13.905   2.438
  216    HB   ILE  34           HB       ILE  34  37.782  12.501   1.007
  217   HG12  ILE  34          HG12      ILE  34  34.794  12.129   0.667
  218   HG13  ILE  34          HG11      ILE  34  35.759  13.162  -0.388
  219   HG21  ILE  34          HG21      ILE  34  36.551  10.473   1.968
  220   HG22  ILE  34          HG22      ILE  34  35.692  11.611   3.006
  221   HG23  ILE  34          HG23      ILE  34  37.445  11.455   3.128
  222   HD11  ILE  34          HD11      ILE  34  35.444  10.832  -1.278
  223   HD12  ILE  34          HD12      ILE  34  36.352  10.232   0.111
  224   HD13  ILE  34          HD13      ILE  34  37.135  11.286  -1.067
  225    H    TYR  35           HN       TYR  35  38.941  14.595   1.828
  226    HA   TYR  35           HA       TYR  35  39.815  13.939   4.464
  227    HB2  TYR  35           HB2      TYR  35  41.142  14.278   2.188
  228    HB3  TYR  35           HB1      TYR  35  41.304  15.922   2.805
  229    HD1  TYR  35           HD1      TYR  35  41.972  12.345   3.545
  230    HD2  TYR  35           HD2      TYR  35  42.701  16.422   4.689
  231    HE1  TYR  35           HE1      TYR  35  43.759  11.592   5.092
  232    HE2  TYR  35           HE2      TYR  35  44.488  15.668   6.236
  233    HH   TYR  35           HH       TYR  35  45.119  13.627   7.457
  234    H    MET  36           HN       MET  36  38.202  16.640   3.110
  235    HA   MET  36           HA       MET  36  39.049  18.459   5.243
  236    HB2  MET  36           HB2      MET  36  38.881  19.391   2.998
  237    HB3  MET  36           HB1      MET  36  37.203  18.860   2.876
  238    HG2  MET  36           HG2      MET  36  36.502  20.368   4.598
  239    HG3  MET  36           HG1      MET  36  38.168  20.721   5.056
  240    HE1  MET  36           HE1      MET  36  39.625  22.904   2.460
  241    HE2  MET  36           HE2      MET  36  39.879  21.469   3.450
  242    HE3  MET  36           HE3      MET  36  39.324  22.962   4.202
  243    H    LEU  37           HN       LEU  37  35.930  17.368   3.875
  244    HA   LEU  37           HA       LEU  37  34.441  18.195   6.169
  245    HB2  LEU  37           HB2      LEU  37  33.630  16.232   4.012
  246    HB3  LEU  37           HB1      LEU  37  32.554  17.113   5.096
  247    HG   LEU  37           HG       LEU  37  34.414  18.380   3.060
  248   HD11  LEU  37          HD11      LEU  37  31.654  17.383   2.940
  249   HD12  LEU  37          HD12      LEU  37  32.752  17.810   1.628
  250   HD13  LEU  37          HD13      LEU  37  31.811  19.066   2.435
  251   HD21  LEU  37          HD21      LEU  37  32.588  19.448   5.194
  252   HD22  LEU  37          HD22      LEU  37  32.785  20.362   3.699
  253   HD23  LEU  37          HD23      LEU  37  34.186  20.013   4.709
  254    H    VAL  38           HN       VAL  38  36.604  16.576   6.978
  255    HA   VAL  38           HA       VAL  38  35.122  14.378   8.256
  256    HB   VAL  38           HB       VAL  38  37.654  14.168   6.655
  257   HG11  VAL  38          HG11      VAL  38  36.868  12.608   9.111
  258   HG12  VAL  38          HG12      VAL  38  38.449  13.260   8.675
  259   HG13  VAL  38          HG13      VAL  38  37.813  11.849   7.831
  260   HG21  VAL  38          HG21      VAL  38  35.365  13.539   5.764
  261   HG22  VAL  38          HG22      VAL  38  35.305  12.281   6.999
  262   HG23  VAL  38          HG23      VAL  38  36.544  12.227   5.744
  263    H    PHE  39           HN       PHE  39  37.936  16.505   8.208
  264    HA   PHE  39           HA       PHE  39  38.930  15.791  10.776
  265    HB2  PHE  39           HB2      PHE  39  40.386  16.920   9.223
  266    HB3  PHE  39           HB1      PHE  39  39.279  18.288   9.106
  267    HD1  PHE  39           HD1      PHE  39  41.243  16.337  11.633
  268    HD2  PHE  39           HD2      PHE  39  39.576  20.135  10.516
  269    HE1  PHE  39           HE1      PHE  39  42.347  17.395  13.585
  270    HE2  PHE  39           HE2      PHE  39  40.679  21.194  12.469
  271    HZ   PHE  39           HZ       PHE  39  42.065  19.824  14.003
  272    H    LEU  40           HN       LEU  40  36.270  17.682   9.730
  273    HA   LEU  40           HA       LEU  40  35.709  18.429  12.514
  274    HB2  LEU  40           HB2      LEU  40  35.039  20.700  11.825
  275    HB3  LEU  40           HB1      LEU  40  36.749  20.412  11.507
  276    HG   LEU  40           HG       LEU  40  35.354  19.533   9.207
  277   HD11  LEU  40          HD11      LEU  40  33.447  20.900  10.055
  278   HD12  LEU  40          HD12      LEU  40  34.108  21.530   8.547
  279   HD13  LEU  40          HD13      LEU  40  34.503  22.312  10.077
  280   HD21  LEU  40          HD21      LEU  40  36.946  22.061   9.750
  281   HD22  LEU  40          HD22      LEU  40  36.596  21.407   8.151
  282   HD23  LEU  40          HD23      LEU  40  37.616  20.503   9.270
  283    H    LEU  41           HN       LEU  41  34.735  16.584  10.224
  284    HA   LEU  41           HA       LEU  41  31.942  16.784  10.886
  285    HB2  LEU  41           HB2      LEU  41  32.290  18.515   9.048
  286    HB3  LEU  41           HB1      LEU  41  32.642  17.160   7.975
  287    HG   LEU  41           HG       LEU  41  30.368  16.231   9.038
  288   HD11  LEU  41          HD11      LEU  41  30.207  18.313  10.481
  289   HD12  LEU  41          HD12      LEU  41  28.783  17.982   9.493
  290   HD13  LEU  41          HD13      LEU  41  29.931  19.227   8.999
  291   HD21  LEU  41          HD21      LEU  41  30.608  16.448   6.676
  292   HD22  LEU  41          HD22      LEU  41  30.743  18.204   6.777
  293   HD23  LEU  41          HD23      LEU  41  29.194  17.419   7.086
  294    H    GLY  42           HN       GLY  42  33.617  14.734  11.394
  295    HA2  GLY  42           HA2      GLY  42  32.357  12.502  10.296
  296    HA3  GLY  42           HA1      GLY  42  33.827  12.765   9.363
  297    H    THR  43           HN       THR  43  35.167  13.938  11.766
  298    HA   THR  43           HA       THR  43  35.621  11.443  13.294
  299    HB   THR  43           HB       THR  43  37.569  13.360  12.054
  300    HG1  THR  43           HG1      THR  43  36.836  11.092  11.384
  301   HG21  THR  43          HG21      THR  43  39.278  12.140  13.581
  302   HG22  THR  43          HG22      THR  43  37.891  11.812  14.617
  303   HG23  THR  43          HG23      THR  43  38.357  13.477  14.267
  304    H    THR  44           HN       THR  44  35.969  14.983  13.316
  305    HA   THR  44           HA       THR  44  36.614  15.507  15.907
  306    HB   THR  44           HB       THR  44  34.752  16.885  14.001
  307    HG1  THR  44           HG1      THR  44  36.709  18.353  15.038
  308   HG21  THR  44          HG21      THR  44  34.825  18.779  15.775
  309   HG22  THR  44          HG22      THR  44  35.170  17.485  16.921
  310   HG23  THR  44          HG23      THR  44  33.665  17.471  16.001
  311    H    GLY  45           HN       GLY  45  33.578  14.251  14.708
  312    HA2  GLY  45           HA2      GLY  45  31.755  14.721  16.665
  313    HA3  GLY  45           HA1      GLY  45  31.897  13.154  15.873
  314    H    ASN  46           HN       ASN  46  33.120  11.496  16.870
  315    HA   ASN  46           HA       ASN  46  34.314  11.924  19.469
  316    HB2  ASN  46           HB2      ASN  46  31.641  10.587  19.161
  317    HB3  ASN  46           HB1      ASN  46  32.739  10.101  20.452
  318   HD21  ASN  46          HD21      ASN  46  33.595  12.031  21.827
  319   HD22  ASN  46          HD22      ASN  46  32.495  13.284  22.147
  320    H    GLY  47           HN       GLY  47  36.168  10.960  18.734
  321    HA2  GLY  47           HA2      GLY  47  36.538   8.237  18.951
  322    HA3  GLY  47           HA1      GLY  47  36.197   8.515  17.245
  323    H    LEU  48           HN       LEU  48  38.216   9.861  19.864
  324    HA   LEU  48           HA       LEU  48  40.486   9.914  17.980
  325    HB2  LEU  48           HB2      LEU  48  39.484  12.172  19.710
  326    HB3  LEU  48           HB1      LEU  48  41.149  12.107  19.132
  327    HG   LEU  48           HG       LEU  48  39.121  11.596  17.053
  328   HD11  LEU  48          HD11      LEU  48  38.743  14.142  16.873
  329   HD12  LEU  48          HD12      LEU  48  39.255  14.210  18.560
  330   HD13  LEU  48          HD13      LEU  48  37.827  13.279  18.108
  331   HD21  LEU  48          HD21      LEU  48  41.551  11.867  16.627
  332   HD22  LEU  48          HD22      LEU  48  41.470  13.507  17.273
  333   HD23  LEU  48          HD23      LEU  48  40.606  13.100  15.790
  334    H    VAL  49           HN       VAL  49  39.258   9.681  21.243
  335    HA   VAL  49           HA       VAL  49  41.860   9.401  22.465
  336    HB   VAL  49           HB       VAL  49  40.626   8.936  24.504
  337   HG11  VAL  49          HG11      VAL  49  39.228  10.975  24.590
  338   HG12  VAL  49          HG12      VAL  49  39.271  11.075  22.830
  339   HG13  VAL  49          HG13      VAL  49  40.753  11.284  23.762
  340   HG21  VAL  49          HG21      VAL  49  37.979   9.087  24.073
  341   HG22  VAL  49          HG22      VAL  49  38.841   7.547  24.059
  342   HG23  VAL  49          HG23      VAL  49  38.456   8.358  22.539
  343    H    LEU  50           HN       LEU  50  40.740   7.528  20.272
  344    HA   LEU  50           HA       LEU  50  41.746   5.082  21.522
  345    HB2  LEU  50           HB2      LEU  50  39.751   3.891  20.286
  346    HB3  LEU  50           HB1      LEU  50  39.524   4.557  21.903
  347    HG   LEU  50           HG       LEU  50  38.563   6.602  20.961
  348   HD11  LEU  50          HD11      LEU  50  39.723   6.894  18.910
  349   HD12  LEU  50          HD12      LEU  50  38.065   6.529  18.431
  350   HD13  LEU  50          HD13      LEU  50  39.302   5.276  18.348
  351   HD21  LEU  50          HD21      LEU  50  37.342   4.167  21.071
  352   HD22  LEU  50          HD22      LEU  50  37.082   4.584  19.377
  353   HD23  LEU  50          HD23      LEU  50  36.506   5.661  20.649
  354    H    TRP  51           HN       TRP  51  42.145   7.193  19.209
  355    HA   TRP  51           HA       TRP  51  42.502   5.264  17.008
  356    HB2  TRP  51           HB2      TRP  51  41.524   6.972  15.895
  357    HB3  TRP  51           HB1      TRP  51  41.899   8.137  17.164
  358    HD1  TRP  51           HD1      TRP  51  43.824   6.178  14.430
  359    HE1  TRP  51           HE1      TRP  51  45.666   7.720  13.493
  360    HE3  TRP  51           HE3      TRP  51  43.119  10.289  17.378
  361    HZ2  TRP  51           HZ2      TRP  51  46.704  10.348  13.936
  362    HZ3  TRP  51           HZ3      TRP  51  44.547  12.296  17.099
  363    HH2  TRP  51           HH2      TRP  51  46.337  12.330  15.383
  364    H    THR  52           HN       THR  52  44.237   8.149  18.204
  365    HA   THR  52           HA       THR  52  46.760   7.161  17.242
  366    HB   THR  52           HB       THR  52  46.332   9.560  17.296
  367    HG1  THR  52           HG1      THR  52  48.155   9.977  18.975
  368   HG21  THR  52          HG21      THR  52  44.801   9.523  19.255
  369   HG22  THR  52          HG22      THR  52  46.059  10.750  19.414
  370   HG23  THR  52          HG23      THR  52  46.188   9.234  20.306
  371    H    VAL  53           HN       VAL  53  45.089   7.271  20.334
  372    HA   VAL  53           HA       VAL  53  47.278   6.578  21.988
  373    HB   VAL  53           HB       VAL  53  44.292   6.319  22.267
  374   HG11  VAL  53          HG11      VAL  53  44.979   5.775  24.738
  375   HG12  VAL  53          HG12      VAL  53  46.476   5.199  24.006
  376   HG13  VAL  53          HG13      VAL  53  44.936   4.470  23.552
  377   HG21  VAL  53          HG21      VAL  53  46.083   7.789  24.149
  378   HG22  VAL  53          HG22      VAL  53  44.474   8.216  23.566
  379   HG23  VAL  53          HG23      VAL  53  45.882   8.467  22.534
  380    H    PHE  54           HN       PHE  54  45.095   4.690  20.001
  381    HA   PHE  54           HA       PHE  54  45.866   2.149  21.120
  382    HB2  PHE  54           HB2      PHE  54  43.849   3.095  19.376
  383    HB3  PHE  54           HB1      PHE  54  44.790   1.912  18.466
  384    HD1  PHE  54           HD2      PHE  54  45.124  -0.395  19.388
  385    HD2  PHE  54           HD1      PHE  54  42.460   2.437  21.214
  386    HE1  PHE  54           HE2      PHE  54  44.031  -2.233  20.644
  387    HE2  PHE  54           HE1      PHE  54  41.366   0.598  22.469
  388    HZ   PHE  54           HZ       PHE  54  42.152  -1.737  22.185
  389    H    ARG  55           HN       ARG  55  47.304   4.338  18.983
  390    HA   ARG  55           HA       ARG  55  48.805   2.276  17.536
  391    HB2  ARG  55           HB2      ARG  55  48.496   5.252  17.237
  392    HB3  ARG  55           HB1      ARG  55  49.825   4.400  16.450
  393    HG2  ARG  55           HG2      ARG  55  48.387   3.139  15.097
  394    HG3  ARG  55           HG1      ARG  55  47.008   3.381  16.170
  395    HD2  ARG  55           HD2      ARG  55  47.009   4.723  13.981
  396    HD3  ARG  55           HD1      ARG  55  46.712   5.626  15.463
  397    HE   ARG  55           HE       ARG  55  49.413   5.812  15.149
  398   HH11  ARG  55          HH21      ARG  55  46.673   6.376  13.112
  399   HH12  ARG  55          HH22      ARG  55  47.439   7.628  12.192
  400   HH21  ARG  55          HH11      ARG  55  50.425   7.453  13.947
  401   HH22  ARG  55          HH12      ARG  55  49.565   8.238  12.666
  402    H    LYS  56           HN       LYS  56  49.044   3.269  20.500
  403    HA   LYS  56           HA       LYS  56  51.898   3.976  20.485
  404    HB2  LYS  56           HB2      LYS  56  50.012   3.866  22.846
  405    HB3  LYS  56           HB1      LYS  56  51.601   4.629  22.779
  406    HG2  LYS  56           HG2      LYS  56  49.177   5.455  21.152
  407    HG3  LYS  56           HG1      LYS  56  49.815   6.314  22.555
  408    HD2  LYS  56           HD2      LYS  56  52.063   6.293  21.187
  409    HD3  LYS  56           HD1      LYS  56  50.993   6.044  19.807
  410    HE2  LYS  56           HE2      LYS  56  49.649   8.049  20.745
  411    HE3  LYS  56           HE1      LYS  56  51.088   8.382  21.709
  412    HZ1  LYS  56           HZ1      LYS  56  52.258   8.093  19.409
  413    HZ2  LYS  56           HZ2      LYS  56  51.542   9.574  19.834
  414    HZ3  LYS  56           HZ3      LYS  56  50.727   8.499  18.801
  415    H    LYS  57           HN       LYS  57  49.704   1.761  22.231
  416    HA   LYS  57           HA       LYS  57  51.578   0.182  23.499
  417    HB2  LYS  57           HB2      LYS  57  49.885  -1.609  23.467
  418    HB3  LYS  57           HB1      LYS  57  49.159  -0.048  23.858
  419    HG2  LYS  57           HG2      LYS  57  47.736  -0.340  22.140
  420    HG3  LYS  57           HG1      LYS  57  49.112  -0.239  21.040
  421    HD2  LYS  57           HD2      LYS  57  47.975  -2.332  20.613
  422    HD3  LYS  57           HD1      LYS  57  49.502  -2.698  21.418
  423    HE2  LYS  57           HE2      LYS  57  47.630  -2.271  23.485
  424    HE3  LYS  57           HE1      LYS  57  46.807  -3.277  22.293
  425    HZ1  LYS  57           HZ1      LYS  57  49.568  -3.948  22.998
  426    HZ2  LYS  57           HZ2      LYS  57  48.284  -4.968  22.553
  427    HZ3  LYS  57           HZ3      LYS  57  48.352  -4.316  24.121
  428    H    GLY  58           HN       GLY  58  51.156   0.578  20.168
  429    HA2  GLY  58           HA2      GLY  58  53.221  -0.548  19.057
  430    HA3  GLY  58           HA1      GLY  58  52.374  -2.022  19.518
  431    H    HIS  59           HN       HIS  59  50.222  -2.378  18.627
  432    HA   HIS  59           HA       HIS  59  49.165  -0.757  16.538
  433    HB2  HIS  59           HB2      HIS  59  49.605  -2.345  14.663
  434    HB3  HIS  59           HB1      HIS  59  51.064  -1.553  15.260
  435    HD2  HIS  59           HD2      HIS  59  50.298  -4.178  17.817
  436    HE1  HIS  59           HE1      HIS  59  52.685  -6.167  14.959
  437    HE2  HIS  59           HE2      HIS  59  51.710  -6.312  17.300
  438    H    HIS  60           HN       HIS  60  47.714  -1.515  18.499
  439    HA   HIS  60           HA       HIS  60  45.872  -2.699  19.197
  440    HB2  HIS  60           HB2      HIS  60  45.233  -1.998  16.817
  441    HB3  HIS  60           HB1      HIS  60  45.630  -3.651  16.346
  442    HD2  HIS  60           HD2      HIS  60  44.229  -4.357  19.631
  443    HE1  HIS  60           HE1      HIS  60  40.765  -3.869  17.269
  444    HE2  HIS  60           HE2      HIS  60  41.651  -4.742  19.483
  445    H    HIS  61           HN       HIS  61  48.546  -4.023  19.104
  446    HA   HIS  61           HA       HIS  61  47.676  -6.652  19.834
  447    HB2  HIS  61           HB2      HIS  61  47.807  -6.639  17.243
  448    HB3  HIS  61           HB1      HIS  61  49.554  -6.612  17.485
  449    HD2  HIS  61           HD2      HIS  61  46.669  -8.879  19.084
  450    HE1  HIS  61           HE1      HIS  61  49.994 -11.295  18.118
  451    HE2  HIS  61           HE2      HIS  61  47.651 -11.299  19.098
  452    H    HIS  62           HN       HIS  62  50.415  -7.670  18.973
  453    HA   HIS  62           HA       HIS  62  52.456  -7.956  19.990
  454    HB2  HIS  62           HB2      HIS  62  52.874  -5.770  18.934
  455    HB3  HIS  62           HB1      HIS  62  52.230  -4.959  20.363
  456    HD2  HIS  62           HD2      HIS  62  54.281  -4.261  22.056
  457    HE1  HIS  62           HE1      HIS  62  56.959  -7.384  21.110
  458    HE2  HIS  62           HE2      HIS  62  56.627  -5.305  22.530
  459    H    HIS  63           HN       HIS  63  52.219  -9.131  21.810
  460    HA   HIS  63           HA       HIS  63  52.473  -7.918  24.347
  461    HB2  HIS  63           HB2      HIS  63  50.220  -8.740  25.245
  462    HB3  HIS  63           HB1      HIS  63  50.194  -7.276  24.263
  463    HD2  HIS  63           HD2      HIS  63  48.172  -7.460  22.408
  464    HE1  HIS  63           HE1      HIS  63  48.280 -11.634  21.783
  465    HE2  HIS  63           HE2      HIS  63  47.126  -9.473  21.114
  466    H    HIS  64           HN       HIS  64  53.940  -9.851  23.194
  467    HA   HIS  64           HA       HIS  64  53.329 -12.504  23.391
  468    HB2  HIS  64           HB2      HIS  64  55.612 -11.194  22.927
  469    HB3  HIS  64           HB1      HIS  64  55.929 -11.688  24.590
  470    HD2  HIS  64           HD2      HIS  64  54.498 -13.690  21.434
  471    HE1  HIS  64           HE1      HIS  64  57.269 -16.110  23.505
  472    HE2  HIS  64           HE2      HIS  64  55.695 -16.009  21.514
  Start of MODEL   26
    1    H1   MET   1           HT1      MET   1  16.820  -4.943   6.452
    2    H2   MET   1           HT2      MET   1  16.035  -4.246   5.116
    3    H3   MET   1           HT3      MET   1  16.978  -5.645   4.916
    4    HA   MET   1           HA       MET   1  14.868  -5.914   6.865
    5    HB2  MET   1           HB2      MET   1  14.312  -5.302   3.958
    6    HB3  MET   1           HB1      MET   1  13.190  -6.242   4.943
    7    HG2  MET   1           HG2      MET   1  14.205  -3.638   6.020
    8    HG3  MET   1           HG1      MET   1  12.949  -3.610   4.781
    9    HE1  MET   1           HE1      MET   1  12.685  -2.804   8.304
   10    HE2  MET   1           HE2      MET   1  10.975  -2.815   7.877
   11    HE3  MET   1           HE3      MET   1  12.160  -2.211   6.722
   12    H    GLU   2           HN       GLU   2  14.760  -8.044   7.256
   13    HA   GLU   2           HA       GLU   2  15.257 -10.287   7.123
   14    HB2  GLU   2           HB2      GLU   2  14.596  -9.774   4.212
   15    HB3  GLU   2           HB1      GLU   2  14.658 -11.359   4.985
   16    HG2  GLU   2           HG2      GLU   2  12.997  -9.453   6.457
   17    HG3  GLU   2           HG1      GLU   2  12.416  -9.733   4.816
   18    H    GLU   3           HN       GLU   3  17.518  -8.643   7.080
   19    HA   GLU   3           HA       GLU   3  19.361  -8.927   5.061
   20    HB2  GLU   3           HB2      GLU   3  19.515  -8.618   8.001
   21    HB3  GLU   3           HB1      GLU   3  20.973  -9.225   7.215
   22    HG2  GLU   3           HG2      GLU   3  21.071  -7.322   5.747
   23    HG3  GLU   3           HG1      GLU   3  19.477  -6.772   6.262
   24    H    GLY   4           HN       GLY   4  20.001 -10.677   3.990
   25    HA2  GLY   4           HA2      GLY   4  19.903 -13.304   5.283
   26    HA3  GLY   4           HA1      GLY   4  20.115 -12.997   3.562
   27    H    GLY   5           HN       GLY   5  22.221 -11.233   3.544
   28    HA2  GLY   5           HA2      GLY   5  24.493 -10.965   4.193
   29    HA3  GLY   5           HA1      GLY   5  24.406 -12.507   5.040
   30    H    ASP   6           HN       ASP   6  24.810 -14.405   3.942
   31    HA   ASP   6           HA       ASP   6  26.442 -14.260   1.638
   32    HB2  ASP   6           HB2      ASP   6  26.387 -16.076   3.456
   33    HB3  ASP   6           HB1      ASP   6  25.024 -16.751   2.563
   34    H    PHE   7           HN       PHE   7  23.273 -13.656   1.784
   35    HA   PHE   7           HA       PHE   7  22.297 -15.224  -0.428
   36    HB2  PHE   7           HB2      PHE   7  21.220 -13.346   1.505
   37    HB3  PHE   7           HB1      PHE   7  20.625 -13.007  -0.121
   38    HD1  PHE   7           HD2      PHE   7  21.143 -15.815   2.299
   39    HD2  PHE   7           HD1      PHE   7  18.911 -14.318  -1.053
   40    HE1  PHE   7           HE2      PHE   7  19.606 -17.756   2.454
   41    HE2  PHE   7           HE1      PHE   7  17.375 -16.259  -0.898
   42    HZ   PHE   7           HZ       PHE   7  17.723 -17.978   0.856
   43    H    ASP   8           HN       ASP   8  22.302 -11.680  -0.156
   44    HA   ASP   8           HA       ASP   8  22.331 -11.185  -2.906
   45    HB2  ASP   8           HB2      ASP   8  22.012  -9.620  -0.757
   46    HB3  ASP   8           HB1      ASP   8  23.694  -9.234  -1.122
   47    H    ASN   9           HN       ASN   9  23.837 -11.868  -4.291
   48    HA   ASN   9           HA       ASN   9  26.659 -11.895  -3.446
   49    HB2  ASN   9           HB2      ASN   9  27.054 -13.444  -5.215
   50    HB3  ASN   9           HB1      ASN   9  25.571 -13.970  -4.419
   51   HD21  ASN   9          HD21      ASN   9  26.632 -14.094  -7.371
   52   HD22  ASN   9          HD22      ASN   9  25.299 -13.550  -8.271
   53    H    TYR  10           HN       TYR  10  24.741  -9.667  -4.622
   54    HA   TYR  10           HA       TYR  10  25.097  -7.731  -5.810
   55    HB2  TYR  10           HB2      TYR  10  27.899  -8.573  -6.454
   56    HB3  TYR  10           HB1      TYR  10  27.271  -6.965  -6.094
   57    HD1  TYR  10           HD2      TYR  10  26.166  -6.734  -3.677
   58    HD2  TYR  10           HD1      TYR  10  29.088  -9.684  -4.776
   59    HE1  TYR  10           HE2      TYR  10  26.773  -7.023  -1.290
   60    HE2  TYR  10           HE1      TYR  10  29.695  -9.974  -2.390
   61    HH   TYR  10           HH       TYR  10  27.810  -8.591   0.165
   62    H    TYR  11           HN       TYR  11  27.178 -10.127  -7.447
   63    HA   TYR  11           HA       TYR  11  27.243 -10.843  -9.627
   64    HB2  TYR  11           HB2      TYR  11  25.247 -12.002  -9.361
   65    HB3  TYR  11           HB1      TYR  11  24.310 -10.534  -9.087
   66    HD1  TYR  11           HD1      TYR  11  23.664  -9.076 -10.968
   67    HD2  TYR  11           HD2      TYR  11  25.780 -12.759 -11.603
   68    HE1  TYR  11           HE1      TYR  11  23.089  -8.991 -13.379
   69    HE2  TYR  11           HE2      TYR  11  25.205 -12.675 -14.013
   70    HH   TYR  11           HH       TYR  11  24.390 -11.364 -15.662
   71    H    GLY  12           HN       GLY  12  27.023 -10.166 -11.880
   72    HA2  GLY  12           HA2      GLY  12  27.517  -8.511 -13.429
   73    HA3  GLY  12           HA1      GLY  12  25.923  -7.930 -12.953
   74    H    ALA  13           HN       ALA  13  28.525  -8.054 -10.656
   75    HA   ALA  13           HA       ALA  13  28.287  -5.329  -9.947
   76    HB1  ALA  13           HB1      ALA  13  29.878  -5.774  -8.338
   77    HB2  ALA  13           HB2      ALA  13  30.818  -6.821  -9.402
   78    HB3  ALA  13           HB3      ALA  13  29.321  -7.413  -8.679
   79    H    ASP  14           HN       ASP  14  30.229  -6.991 -12.313
   80    HA   ASP  14           HA       ASP  14  32.280  -5.124 -12.712
   81    HB2  ASP  14           HB2      ASP  14  32.021  -7.453 -13.738
   82    HB3  ASP  14           HB1      ASP  14  30.974  -6.691 -14.934
   83    H    ASN  15           HN       ASN  15  28.980  -4.698 -13.069
   84    HA   ASN  15           HA       ASN  15  28.849  -3.050 -15.376
   85    HB2  ASN  15           HB2      ASN  15  26.902  -4.130 -14.163
   86    HB3  ASN  15           HB1      ASN  15  27.061  -2.862 -12.948
   87   HD21  ASN  15          HD21      ASN  15  25.035  -3.513 -15.309
   88   HD22  ASN  15          HD22      ASN  15  24.814  -1.985 -16.016
   89    H    GLN  16           HN       GLN  16  29.441  -2.379 -11.954
   90    HA   GLN  16           HA       GLN  16  29.807   0.474 -12.571
   91    HB2  GLN  16           HB2      GLN  16  29.796  -0.874  -9.864
   92    HB3  GLN  16           HB1      GLN  16  29.688   0.855 -10.195
   93    HG2  GLN  16           HG2      GLN  16  27.557   0.427 -11.442
   94    HG3  GLN  16           HG1      GLN  16  27.644  -1.258 -10.931
   95   HE21  GLN  16          HE21      GLN  16  25.448   0.363 -10.131
   96   HE22  GLN  16          HE22      GLN  16  25.553   0.633  -8.458
   97    H    SER  17           HN       SER  17  31.751  -1.259 -13.594
   98    HA   SER  17           HA       SER  17  34.030  -1.127 -11.762
   99    HB2  SER  17           HB2      SER  17  33.483  -3.128 -13.289
  100    HB3  SER  17           HB1      SER  17  34.092  -2.128 -14.604
  101    HG   SER  17           HG       SER  17  35.501  -3.592 -12.998
  102    H    GLU  18           HN       GLU  18  36.076  -0.802 -13.638
  103    HA   GLU  18           HA       GLU  18  36.175   2.040 -13.827
  104    HB2  GLU  18           HB2      GLU  18  38.351   1.639 -14.959
  105    HB3  GLU  18           HB1      GLU  18  38.206   0.764 -13.434
  106    HG2  GLU  18           HG2      GLU  18  37.444  -1.246 -14.743
  107    HG3  GLU  18           HG1      GLU  18  37.817  -0.360 -16.220
  108    H    CYS  19           HN       CYS  19  33.945   1.098 -15.246
  109    HA   CYS  19           HA       CYS  19  34.449   0.918 -18.049
  110    HB2  CYS  19           HB2      CYS  19  31.965   1.431 -18.202
  111    HB3  CYS  19           HB1      CYS  19  32.395   0.009 -17.251
  112    HG   CYS  19           HG       CYS  19  31.001   1.164 -15.526
  113    H    GLU  20           HN       GLU  20  32.966   3.526 -16.112
  114    HA   GLU  20           HA       GLU  20  34.109   5.479 -18.019
  115    HB2  GLU  20           HB2      GLU  20  31.370   5.590 -16.734
  116    HB3  GLU  20           HB1      GLU  20  32.067   6.822 -17.786
  117    HG2  GLU  20           HG2      GLU  20  31.785   3.952 -18.678
  118    HG3  GLU  20           HG1      GLU  20  30.480   5.117 -18.882
  119    H    TYR  21           HN       TYR  21  33.272   4.636 -14.742
  120    HA   TYR  21           HA       TYR  21  33.860   7.189 -13.583
  121    HB2  TYR  21           HB2      TYR  21  33.561   4.405 -12.461
  122    HB3  TYR  21           HB1      TYR  21  34.008   5.778 -11.448
  123    HD1  TYR  21           HD2      TYR  21  32.445   7.618 -11.044
  124    HD2  TYR  21           HD1      TYR  21  31.347   4.258 -13.485
  125    HE1  TYR  21           HE2      TYR  21  30.065   8.301 -10.916
  126    HE2  TYR  21           HE1      TYR  21  28.967   4.941 -13.356
  127    HH   TYR  21           HH       TYR  21  28.005   7.941 -11.710
  128    H    THR  22           HN       THR  22  35.920   6.930 -15.209
  129    HA   THR  22           HA       THR  22  38.177   6.481 -13.384
  130    HB   THR  22           HB       THR  22  38.850   4.646 -14.482
  131    HG1  THR  22           HG1      THR  22  39.957   5.056 -16.254
  132   HG21  THR  22          HG21      THR  22  36.531   4.208 -15.086
  133   HG22  THR  22          HG22      THR  22  37.573   3.787 -16.445
  134   HG23  THR  22          HG23      THR  22  36.656   5.293 -16.470
  135    H    ASP  23           HN       ASP  23  37.203   7.597 -16.625
  136    HA   ASP  23           HA       ASP  23  39.428   9.313 -17.011
  137    HB2  ASP  23           HB2      ASP  23  36.848   8.794 -18.338
  138    HB3  ASP  23           HB1      ASP  23  37.467  10.432 -18.544
  139    H    TRP  24           HN       TRP  24  36.026  10.197 -16.359
  140    HA   TRP  24           HA       TRP  24  36.539  12.888 -15.744
  141    HB2  TRP  24           HB2      TRP  24  34.306  13.024 -15.147
  142    HB3  TRP  24           HB1      TRP  24  34.288  11.578 -16.157
  143    HD1  TRP  24           HD1      TRP  24  33.822   9.280 -15.018
  144    HE1  TRP  24           HE1      TRP  24  33.087   8.594 -12.643
  145    HE3  TRP  24           HE3      TRP  24  34.540  13.699 -12.561
  146    HZ2  TRP  24           HZ2      TRP  24  32.836   9.766 -10.046
  147    HZ3  TRP  24           HZ3      TRP  24  34.045  13.885 -10.140
  148    HH2  TRP  24           HH2      TRP  24  33.195  11.926  -8.882
  149    H    LYS  25           HN       LYS  25  37.082  10.021 -13.931
  150    HA   LYS  25           HA       LYS  25  36.816  10.658 -11.304
  151    HB2  LYS  25           HB2      LYS  25  37.885   8.573 -12.353
  152    HB3  LYS  25           HB1      LYS  25  39.397   9.482 -12.325
  153    HG2  LYS  25           HG2      LYS  25  39.191   9.803  -9.904
  154    HG3  LYS  25           HG1      LYS  25  37.641   8.961  -9.909
  155    HD2  LYS  25           HD2      LYS  25  39.870   7.479 -11.165
  156    HD3  LYS  25           HD1      LYS  25  40.031   7.735  -9.427
  157    HE2  LYS  25           HE2      LYS  25  37.976   6.635  -8.965
  158    HE3  LYS  25           HE1      LYS  25  37.471   6.702 -10.654
  159    HZ1  LYS  25           HZ1      LYS  25  38.679   4.905 -11.173
  160    HZ2  LYS  25           HZ2      LYS  25  38.630   4.579  -9.507
  161    HZ3  LYS  25           HZ3      LYS  25  39.983   5.350 -10.185
  162    H    SER  26           HN       SER  26  37.492  12.225  -9.993
  163    HA   SER  26           HA       SER  26  39.220  14.307 -10.942
  164    HB2  SER  26           HB2      SER  26  37.732  13.746  -8.411
  165    HB3  SER  26           HB1      SER  26  39.012  14.955  -8.393
  166    HG   SER  26           HG       SER  26  36.634  15.431  -9.081
  167    H    SER  27           HN       SER  27  39.534  12.486  -7.896
  168    HA   SER  27           HA       SER  27  41.362  11.437  -6.950
  169    HB2  SER  27           HB2      SER  27  43.157  12.046  -9.240
  170    HB3  SER  27           HB1      SER  27  43.001  10.569  -8.294
  171    HG   SER  27           HG       SER  27  42.023  10.969 -10.638
  172    H    GLY  28           HN       GLY  28  41.381  14.583  -8.281
  173    HA2  GLY  28           HA2      GLY  28  43.360  15.430  -6.259
  174    HA3  GLY  28           HA1      GLY  28  43.483  16.015  -7.915
  175    H    ALA  29           HN       ALA  29  40.274  15.602  -7.287
  176    HA   ALA  29           HA       ALA  29  39.927  18.345  -6.240
  177    HB1  ALA  29           HB1      ALA  29  38.009  17.262  -8.257
  178    HB2  ALA  29           HB2      ALA  29  39.558  17.888  -8.821
  179    HB3  ALA  29           HB3      ALA  29  38.459  18.934  -7.920
  180    H    LEU  30           HN       LEU  30  39.283  15.097  -5.880
  181    HA   LEU  30           HA       LEU  30  36.767  15.602  -4.412
  182    HB2  LEU  30           HB2      LEU  30  37.726  13.386  -6.094
  183    HB3  LEU  30           HB1      LEU  30  36.991  12.873  -4.578
  184    HG   LEU  30           HG       LEU  30  35.360  13.094  -6.486
  185   HD11  LEU  30          HD11      LEU  30  33.860  13.409  -4.841
  186   HD12  LEU  30          HD12      LEU  30  34.216  15.135  -4.837
  187   HD13  LEU  30          HD13      LEU  30  35.136  14.044  -3.802
  188   HD21  LEU  30          HD21      LEU  30  35.331  16.039  -6.207
  189   HD22  LEU  30          HD22      LEU  30  35.097  15.041  -7.642
  190   HD23  LEU  30          HD23      LEU  30  36.726  15.386  -7.065
  191    H    ILE  31           HN       ILE  31  40.060  14.977  -4.059
  192    HA   ILE  31           HA       ILE  31  39.799  13.564  -1.520
  193    HB   ILE  31           HB       ILE  31  42.450  14.576  -2.327
  194   HG12  ILE  31          HG12      ILE  31  41.572  14.123  -4.552
  195   HG13  ILE  31          HG11      ILE  31  42.661  12.815  -4.101
  196   HG21  ILE  31          HG21      ILE  31  41.417  11.802  -1.667
  197   HG22  ILE  31          HG22      ILE  31  41.990  12.963  -0.468
  198   HG23  ILE  31          HG23      ILE  31  43.102  12.327  -1.681
  199   HD11  ILE  31          HD11      ILE  31  39.793  12.727  -4.670
  200   HD12  ILE  31          HD12      ILE  31  40.200  11.950  -3.141
  201   HD13  ILE  31          HD13      ILE  31  40.969  11.415  -4.633
  202    HA   PRO  32           HA       PRO  32  41.478  17.739  -0.012
  203    HB2  PRO  32           HB2      PRO  32  41.300  19.899  -1.714
  204    HB3  PRO  32           HB1      PRO  32  42.722  18.853  -1.571
  205    HG2  PRO  32           HG2      PRO  32  40.790  19.065  -3.737
  206    HG3  PRO  32           HG1      PRO  32  42.400  18.334  -3.728
  207    HD2  PRO  32           HD2      PRO  32  39.848  17.004  -3.595
  208    HD3  PRO  32           HD1      PRO  32  41.465  16.268  -3.609
  209    H    ALA  33           HN       ALA  33  38.690  16.752  -0.534
  210    HA   ALA  33           HA       ALA  33  37.293  19.089   0.559
  211    HB1  ALA  33           HB1      ALA  33  35.329  18.595  -0.920
  212    HB2  ALA  33           HB2      ALA  33  36.354  17.485  -1.829
  213    HB3  ALA  33           HB3      ALA  33  36.736  19.207  -1.788
  214    H    ILE  34           HN       ILE  34  36.950  15.666  -0.382
  215    HA   ILE  34           HA       ILE  34  34.950  15.096   1.577
  216    HB   ILE  34           HB       ILE  34  36.732  13.401  -0.161
  217   HG12  ILE  34          HG12      ILE  34  33.713  13.579   0.032
  218   HG13  ILE  34          HG11      ILE  34  34.666  14.617  -1.029
  219   HG21  ILE  34          HG21      ILE  34  36.579  12.005   1.724
  220   HG22  ILE  34          HG22      ILE  34  35.188  11.509   0.762
  221   HG23  ILE  34          HG23      ILE  34  34.968  12.586   2.141
  222   HD11  ILE  34          HD11      ILE  34  33.910  12.703  -2.316
  223   HD12  ILE  34          HD12      ILE  34  34.532  11.590  -1.097
  224   HD13  ILE  34          HD13      ILE  34  35.649  12.551  -2.065
  225    H    TYR  35           HN       TYR  35  38.374  14.095   1.359
  226    HA   TYR  35           HA       TYR  35  38.641  12.922   3.843
  227    HB2  TYR  35           HB2      TYR  35  40.758  12.725   3.141
  228    HB3  TYR  35           HB1      TYR  35  40.381  13.791   1.788
  229    HD1  TYR  35           HD1      TYR  35  40.425  16.348   2.251
  230    HD2  TYR  35           HD2      TYR  35  42.262  13.423   4.805
  231    HE1  TYR  35           HE1      TYR  35  41.860  18.111   3.240
  232    HE2  TYR  35           HE2      TYR  35  43.696  15.187   5.794
  233    HH   TYR  35           HH       TYR  35  43.339  18.597   4.834
  234    H    MET  36           HN       MET  36  38.263  16.269   3.054
  235    HA   MET  36           HA       MET  36  39.158  17.182   5.678
  236    HB2  MET  36           HB2      MET  36  39.551  18.453   3.496
  237    HB3  MET  36           HB1      MET  36  37.831  18.842   3.536
  238    HG2  MET  36           HG2      MET  36  38.543  19.466   6.090
  239    HG3  MET  36           HG1      MET  36  40.033  19.858   5.231
  240    HE1  MET  36           HE1      MET  36  39.224  22.545   2.776
  241    HE2  MET  36           HE2      MET  36  39.180  20.831   2.371
  242    HE3  MET  36           HE3      MET  36  40.380  21.428   3.513
  243    H    LEU  37           HN       LEU  37  36.155  17.015   3.779
  244    HA   LEU  37           HA       LEU  37  34.424  18.222   5.600
  245    HB2  LEU  37           HB2      LEU  37  34.054  16.110   3.495
  246    HB3  LEU  37           HB1      LEU  37  32.708  16.571   4.536
  247    HG   LEU  37           HG       LEU  37  34.316  18.726   3.205
  248   HD11  LEU  37          HD11      LEU  37  32.102  17.125   1.885
  249   HD12  LEU  37          HD12      LEU  37  33.796  17.133   1.398
  250   HD13  LEU  37          HD13      LEU  37  32.827  18.597   1.235
  251   HD21  LEU  37          HD21      LEU  37  31.339  18.685   3.446
  252   HD22  LEU  37          HD22      LEU  37  32.461  20.028   3.651
  253   HD23  LEU  37          HD23      LEU  37  32.268  18.836   4.937
  254    H    VAL  38           HN       VAL  38  36.133  15.282   5.857
  255    HA   VAL  38           HA       VAL  38  34.320  14.260   7.941
  256    HB   VAL  38           HB       VAL  38  36.668  12.941   6.556
  257   HG11  VAL  38          HG11      VAL  38  34.979  12.220   8.883
  258   HG12  VAL  38          HG12      VAL  38  36.613  11.700   8.474
  259   HG13  VAL  38          HG13      VAL  38  35.225  10.942   7.693
  260   HG21  VAL  38          HG21      VAL  38  35.186  12.107   5.046
  261   HG22  VAL  38          HG22      VAL  38  34.148  13.438   5.555
  262   HG23  VAL  38          HG23      VAL  38  33.950  11.840   6.275
  263    H    PHE  39           HN       PHE  39  37.072  16.126   7.593
  264    HA   PHE  39           HA       PHE  39  38.679  15.220   9.748
  265    HB2  PHE  39           HB2      PHE  39  39.572  16.716   8.045
  266    HB3  PHE  39           HB1      PHE  39  38.428  17.973   8.513
  267    HD1  PHE  39           HD1      PHE  39  41.113  15.788   9.949
  268    HD2  PHE  39           HD2      PHE  39  39.035  19.542  10.144
  269    HE1  PHE  39           HE1      PHE  39  42.686  16.567  11.700
  270    HE2  PHE  39           HE2      PHE  39  40.609  20.322  11.895
  271    HZ   PHE  39           HZ       PHE  39  42.435  18.835  12.673
  272    H    LEU  40           HN       LEU  40  35.832  17.224   9.558
  273    HA   LEU  40           HA       LEU  40  36.029  17.811  12.449
  274    HB2  LEU  40           HB2      LEU  40  34.295  19.554  11.962
  275    HB3  LEU  40           HB1      LEU  40  35.831  19.829  11.139
  276    HG   LEU  40           HG       LEU  40  34.073  18.142   9.552
  277   HD11  LEU  40          HD11      LEU  40  33.077  20.876  10.401
  278   HD12  LEU  40          HD12      LEU  40  32.248  19.333  10.605
  279   HD13  LEU  40          HD13      LEU  40  32.473  20.007   8.991
  280   HD21  LEU  40          HD21      LEU  40  36.069  19.350   8.725
  281   HD22  LEU  40          HD22      LEU  40  35.290  20.887   9.099
  282   HD23  LEU  40          HD23      LEU  40  34.621  19.842   7.847
  283    H    LEU  41           HN       LEU  41  34.600  15.733  10.286
  284    HA   LEU  41           HA       LEU  41  32.430  15.131  12.191
  285    HB2  LEU  41           HB2      LEU  41  32.213  15.436   9.197
  286    HB3  LEU  41           HB1      LEU  41  31.038  14.514  10.136
  287    HG   LEU  41           HG       LEU  41  31.650  17.150  11.284
  288   HD11  LEU  41          HD11      LEU  41  30.337  18.394   9.596
  289   HD12  LEU  41          HD12      LEU  41  30.264  16.945   8.593
  290   HD13  LEU  41          HD13      LEU  41  31.814  17.731   8.896
  291   HD21  LEU  41          HD21      LEU  41  29.269  17.174  11.625
  292   HD22  LEU  41          HD22      LEU  41  29.805  15.522  11.929
  293   HD23  LEU  41          HD23      LEU  41  29.021  15.927  10.402
  294    H    GLY  42           HN       GLY  42  34.074  13.541  12.877
  295    HA2  GLY  42           HA2      GLY  42  33.576  10.968  12.388
  296    HA3  GLY  42           HA1      GLY  42  34.625  11.352  11.028
  297    H    THR  43           HN       THR  43  35.854  13.405  13.052
  298    HA   THR  43           HA       THR  43  37.470  11.492  14.612
  299    HB   THR  43           HB       THR  43  38.741  12.014  12.582
  300    HG1  THR  43           HG1      THR  43  39.711  13.445  14.829
  301   HG21  THR  43          HG21      THR  43  37.518  14.299  12.362
  302   HG22  THR  43          HG22      THR  43  39.206  14.201  11.863
  303   HG23  THR  43          HG23      THR  43  38.789  14.903  13.425
  304    H    THR  44           HN       THR  44  36.764  14.935  14.017
  305    HA   THR  44           HA       THR  44  37.766  15.988  16.393
  306    HB   THR  44           HB       THR  44  35.565  16.819  14.527
  307    HG1  THR  44           HG1      THR  44  37.495  17.419  13.800
  308   HG21  THR  44          HG21      THR  44  34.625  17.619  16.528
  309   HG22  THR  44          HG22      THR  44  35.588  18.985  15.962
  310   HG23  THR  44          HG23      THR  44  36.203  17.944  17.246
  311    H    GLY  45           HN       GLY  45  34.852  14.190  15.764
  312    HA2  GLY  45           HA2      GLY  45  34.130  12.992  17.901
  313    HA3  GLY  45           HA1      GLY  45  33.937  14.622  18.540
  314    H    ASN  46           HN       ASN  46  33.123  13.115  15.424
  315    HA   ASN  46           HA       ASN  46  30.893  14.481  14.727
  316    HB2  ASN  46           HB2      ASN  46  32.012  12.455  13.589
  317    HB3  ASN  46           HB1      ASN  46  30.905  11.479  14.553
  318   HD21  ASN  46          HD21      ASN  46  29.181  14.229  14.137
  319   HD22  ASN  46          HD22      ASN  46  28.375  13.866  12.687
  320    H    GLY  47           HN       GLY  47  30.688  11.423  16.562
  321    HA2  GLY  47           HA2      GLY  47  28.530  12.564  18.187
  322    HA3  GLY  47           HA1      GLY  47  28.163  11.126  17.238
  323    H    LEU  48           HN       LEU  48  31.239  11.844  18.814
  324    HA   LEU  48           HA       LEU  48  30.925   9.391  20.414
  325    HB2  LEU  48           HB2      LEU  48  33.267  10.890  19.297
  326    HB3  LEU  48           HB1      LEU  48  33.496   9.872  20.717
  327    HG   LEU  48           HG       LEU  48  33.919   8.713  18.514
  328   HD11  LEU  48          HD11      LEU  48  31.669   7.129  19.431
  329   HD12  LEU  48          HD12      LEU  48  32.570   7.773  20.801
  330   HD13  LEU  48          HD13      LEU  48  33.393   6.799  19.583
  331   HD21  LEU  48          HD21      LEU  48  31.906   9.960  17.452
  332   HD22  LEU  48          HD22      LEU  48  30.925   8.689  18.182
  333   HD23  LEU  48          HD23      LEU  48  32.168   8.276  17.003
  334    H    VAL  49           HN       VAL  49  30.887  12.773  20.656
  335    HA   VAL  49           HA       VAL  49  31.738  12.774  23.466
  336    HB   VAL  49           HB       VAL  49  31.647  15.216  23.280
  337   HG11  VAL  49          HG11      VAL  49  33.007  14.137  20.805
  338   HG12  VAL  49          HG12      VAL  49  33.622  13.807  22.425
  339   HG13  VAL  49          HG13      VAL  49  33.525  15.469  21.840
  340   HG21  VAL  49          HG21      VAL  49  31.330  15.723  20.570
  341   HG22  VAL  49          HG22      VAL  49  30.116  16.023  21.815
  342   HG23  VAL  49          HG23      VAL  49  30.085  14.516  20.898
  343    H    LEU  50           HN       LEU  50  29.086  11.763  22.198
  344    HA   LEU  50           HA       LEU  50  27.386  12.958  24.271
  345    HB2  LEU  50           HB2      LEU  50  25.518  12.898  22.419
  346    HB3  LEU  50           HB1      LEU  50  26.594  14.289  22.545
  347    HG   LEU  50           HG       LEU  50  28.030  13.375  20.781
  348   HD11  LEU  50          HD11      LEU  50  26.112  11.050  20.985
  349   HD12  LEU  50          HD12      LEU  50  27.873  11.027  21.065
  350   HD13  LEU  50          HD13      LEU  50  27.064  11.334  19.529
  351   HD21  LEU  50          HD21      LEU  50  25.177  13.142  19.811
  352   HD22  LEU  50          HD22      LEU  50  26.576  13.782  18.948
  353   HD23  LEU  50          HD23      LEU  50  25.870  14.694  20.283
  354    H    TRP  51           HN       TRP  51  28.713  10.287  23.124
  355    HA   TRP  51           HA       TRP  51  26.318   8.587  23.385
  356    HB2  TRP  51           HB2      TRP  51  27.407   7.948  21.427
  357    HB3  TRP  51           HB1      TRP  51  29.010   8.217  22.112
  358    HD1  TRP  51           HD1      TRP  51  26.016   6.002  23.199
  359    HE1  TRP  51           HE1      TRP  51  26.918   3.640  23.701
  360    HE3  TRP  51           HE3      TRP  51  30.957   6.692  22.111
  361    HZ2  TRP  51           HZ2      TRP  51  29.405   2.228  23.649
  362    HZ3  TRP  51           HZ3      TRP  51  32.569   4.824  22.345
  363    HH2  TRP  51           HH2      TRP  51  31.799   2.596  23.113
  364    H    THR  52           HN       THR  52  29.701   7.825  24.088
  365    HA   THR  52           HA       THR  52  29.065   6.334  26.413
  366    HB   THR  52           HB       THR  52  31.094   5.875  25.156
  367    HG1  THR  52           HG1      THR  52  32.222   6.934  27.438
  368   HG21  THR  52          HG21      THR  52  32.910   7.457  25.004
  369   HG22  THR  52          HG22      THR  52  32.081   8.585  26.078
  370   HG23  THR  52          HG23      THR  52  31.444   8.274  24.463
  371    H    VAL  53           HN       VAL  53  30.054   9.671  25.887
  372    HA   VAL  53           HA       VAL  53  30.629  10.333  28.578
  373    HB   VAL  53           HB       VAL  53  29.662  12.072  26.296
  374   HG11  VAL  53          HG11      VAL  53  30.746  12.713  29.047
  375   HG12  VAL  53          HG12      VAL  53  29.240  13.271  28.318
  376   HG13  VAL  53          HG13      VAL  53  30.787  13.875  27.721
  377   HG21  VAL  53          HG21      VAL  53  32.406  11.378  27.386
  378   HG22  VAL  53          HG22      VAL  53  32.112  12.685  26.238
  379   HG23  VAL  53          HG23      VAL  53  31.778  11.015  25.778
  380    H    PHE  54           HN       PHE  54  27.668   9.810  26.893
  381    HA   PHE  54           HA       PHE  54  26.011  11.342  28.695
  382    HB2  PHE  54           HB2      PHE  54  25.392  10.879  26.316
  383    HB3  PHE  54           HB1      PHE  54  25.192   9.179  26.744
  384    HD1  PHE  54           HD1      PHE  54  24.050  12.611  27.702
  385    HD2  PHE  54           HD2      PHE  54  23.157   8.410  27.634
  386    HE1  PHE  54           HE1      PHE  54  21.759  13.085  28.525
  387    HE2  PHE  54           HE2      PHE  54  20.866   8.884  28.457
  388    HZ   PHE  54           HZ       PHE  54  20.167  11.221  28.903
  389    H    ARG  55           HN       ARG  55  27.546   8.321  28.809
  390    HA   ARG  55           HA       ARG  55  25.966   7.592  31.182
  391    HB2  ARG  55           HB2      ARG  55  25.978   5.214  30.460
  392    HB3  ARG  55           HB1      ARG  55  25.040   6.244  29.377
  393    HG2  ARG  55           HG2      ARG  55  27.691   6.323  28.410
  394    HG3  ARG  55           HG1      ARG  55  27.358   4.629  28.777
  395    HD2  ARG  55           HD2      ARG  55  25.720   6.462  27.008
  396    HD3  ARG  55           HD1      ARG  55  26.654   5.058  26.500
  397    HE   ARG  55           HE       ARG  55  24.032   5.035  27.731
  398   HH11  ARG  55          HH21      ARG  55  26.964   3.312  27.089
  399   HH12  ARG  55          HH22      ARG  55  26.238   1.747  27.236
  400   HH21  ARG  55          HH11      ARG  55  23.074   2.986  27.926
  401   HH22  ARG  55          HH12      ARG  55  24.035   1.562  27.709
  402    H    LYS  56           HN       LYS  56  28.660   8.761  30.668
  403    HA   LYS  56           HA       LYS  56  30.488   6.633  31.462
  404    HB2  LYS  56           HB2      LYS  56  31.313   8.216  29.836
  405    HB3  LYS  56           HB1      LYS  56  30.892   9.575  30.876
  406    HG2  LYS  56           HG2      LYS  56  32.614   7.569  32.173
  407    HG3  LYS  56           HG1      LYS  56  33.363   8.370  30.793
  408    HD2  LYS  56           HD2      LYS  56  31.931   9.954  32.928
  409    HD3  LYS  56           HD1      LYS  56  33.625   9.496  33.106
  410    HE2  LYS  56           HE2      LYS  56  34.323  10.974  31.523
  411    HE3  LYS  56           HE1      LYS  56  32.937  10.656  30.479
  412    HZ1  LYS  56           HZ1      LYS  56  32.851  12.274  32.967
  413    HZ2  LYS  56           HZ2      LYS  56  31.568  12.024  31.882
  414    HZ3  LYS  56           HZ3      LYS  56  32.932  12.915  31.399
  415    H    LYS  57           HN       LYS  57  29.308   9.746  32.736
  416    HA   LYS  57           HA       LYS  57  30.637   9.692  35.195
  417    HB2  LYS  57           HB2      LYS  57  28.879  11.238  35.971
  418    HB3  LYS  57           HB1      LYS  57  29.460  11.676  34.365
  419    HG2  LYS  57           HG2      LYS  57  27.341  11.559  33.619
  420    HG3  LYS  57           HG1      LYS  57  27.359   9.828  33.961
  421    HD2  LYS  57           HD2      LYS  57  25.493  10.818  35.153
  422    HD3  LYS  57           HD1      LYS  57  26.719  10.352  36.331
  423    HE2  LYS  57           HE2      LYS  57  26.770  12.476  37.071
  424    HE3  LYS  57           HE1      LYS  57  27.365  12.982  35.489
  425    HZ1  LYS  57           HZ1      LYS  57  24.532  12.447  35.581
  426    HZ2  LYS  57           HZ2      LYS  57  25.370  13.757  34.898
  427    HZ3  LYS  57           HZ3      LYS  57  25.019  13.744  36.560
  428    H    GLY  58           HN       GLY  58  28.426   7.495  34.039
  429    HA2  GLY  58           HA2      GLY  58  27.204   5.798  34.999
  430    HA3  GLY  58           HA1      GLY  58  28.298   5.960  36.369
  431    H    HIS  59           HN       HIS  59  27.727   7.347  38.103
  432    HA   HIS  59           HA       HIS  59  25.282   8.818  38.161
  433    HB2  HIS  59           HB2      HIS  59  24.975   6.060  38.532
  434    HB3  HIS  59           HB1      HIS  59  24.916   6.749  40.154
  435    HD2  HIS  59           HD2      HIS  59  23.327   8.230  36.805
  436    HE1  HIS  59           HE1      HIS  59  20.343   7.981  39.781
  437    HE2  HIS  59           HE2      HIS  59  20.833   8.721  37.402
  438    H    HIS  60           HN       HIS  60  26.200  10.479  39.229
  439    HA   HIS  60           HA       HIS  60  26.867  10.130  42.016
  440    HB2  HIS  60           HB2      HIS  60  28.969  10.145  40.029
  441    HB3  HIS  60           HB1      HIS  60  29.117  11.535  41.103
  442    HD2  HIS  60           HD2      HIS  60  30.306  10.900  43.513
  443    HE1  HIS  60           HE1      HIS  60  29.643   6.731  43.427
  444    HE2  HIS  60           HE2      HIS  60  30.723   8.625  44.728
  445    H    HIS  61           HN       HIS  61  27.738  12.480  39.473
  446    HA   HIS  61           HA       HIS  61  27.264  14.716  39.242
  447    HB2  HIS  61           HB2      HIS  61  24.867  13.534  39.631
  448    HB3  HIS  61           HB1      HIS  61  24.902  14.607  41.030
  449    HD2  HIS  61           HD2      HIS  61  26.571  17.068  39.329
  450    HE1  HIS  61           HE1      HIS  61  23.019  17.118  37.049
  451    HE2  HIS  61           HE2      HIS  61  25.121  18.419  37.630
  452    H    HIS  62           HN       HIS  62  28.072  16.481  40.218
  453    HA   HIS  62           HA       HIS  62  28.715  16.284  43.072
  454    HB2  HIS  62           HB2      HIS  62  29.609  18.430  41.147
  455    HB3  HIS  62           HB1      HIS  62  30.345  17.972  42.683
  456    HD2  HIS  62           HD2      HIS  62  32.683  16.677  41.979
  457    HE1  HIS  62           HE1      HIS  62  31.131  14.302  38.854
  458    HE2  HIS  62           HE2      HIS  62  33.205  14.814  40.225
  459    H    HIS  63           HN       HIS  63  28.884  18.831  43.891
  460    HA   HIS  63           HA       HIS  63  26.383  20.218  43.290
  461    HB2  HIS  63           HB2      HIS  63  26.909  19.762  46.184
  462    HB3  HIS  63           HB1      HIS  63  25.377  19.969  45.336
  463    HD2  HIS  63           HD2      HIS  63  24.566  17.555  43.843
  464    HE1  HIS  63           HE1      HIS  63  26.982  15.001  46.181
  465    HE2  HIS  63           HE2      HIS  63  25.093  15.080  44.486
  466    H    HIS  64           HN       HIS  64  29.013  20.974  42.731
  467    HA   HIS  64           HA       HIS  64  30.478  22.447  44.484
  468    HB2  HIS  64           HB2      HIS  64  29.733  22.995  41.621
  469    HB3  HIS  64           HB1      HIS  64  30.786  24.095  42.512
  470    HD2  HIS  64           HD2      HIS  64  31.599  21.597  40.098
  471    HE1  HIS  64           HE1      HIS  64  34.190  20.512  43.249
  472    HE2  HIS  64           HE2      HIS  64  33.709  20.215  40.773
  Start of MODEL   27
    1    H1   MET   1           HT1      MET   1  74.264  26.029   3.280
    2    H2   MET   1           HT2      MET   1  73.691  24.749   2.321
    3    H3   MET   1           HT3      MET   1  74.230  26.186   1.591
    4    HA   MET   1           HA       MET   1  76.226  25.016   3.272
    5    HB2  MET   1           HB2      MET   1  75.565  23.469   0.772
    6    HB3  MET   1           HB1      MET   1  76.604  22.999   2.117
    7    HG2  MET   1           HG2      MET   1  74.266  23.331   3.440
    8    HG3  MET   1           HG1      MET   1  73.650  22.840   1.863
    9    HE1  MET   1           HE1      MET   1  76.275  20.940   0.907
   10    HE2  MET   1           HE2      MET   1  74.557  21.003   0.525
   11    HE3  MET   1           HE3      MET   1  75.264  19.506   1.128
   12    H    GLU   2           HN       GLU   2  78.161  24.581   1.572
   13    HA   GLU   2           HA       GLU   2  78.594  27.134   0.311
   14    HB2  GLU   2           HB2      GLU   2  80.263  24.611   0.417
   15    HB3  GLU   2           HB1      GLU   2  80.797  26.122  -0.322
   16    HG2  GLU   2           HG2      GLU   2  79.841  25.935   2.543
   17    HG3  GLU   2           HG1      GLU   2  81.536  25.785   2.083
   18    H    GLU   3           HN       GLU   3  76.415  26.107  -0.920
   19    HA   GLU   3           HA       GLU   3  76.668  24.455  -3.112
   20    HB2  GLU   3           HB2      GLU   3  74.977  26.875  -2.575
   21    HB3  GLU   3           HB1      GLU   3  74.920  26.095  -4.157
   22    HG2  GLU   3           HG2      GLU   3  74.294  23.979  -3.160
   23    HG3  GLU   3           HG1      GLU   3  74.529  24.626  -1.537
   24    H    GLY   4           HN       GLY   4  76.784  25.029  -5.430
   25    HA2  GLY   4           HA2      GLY   4  77.527  26.488  -7.183
   26    HA3  GLY   4           HA1      GLY   4  78.487  27.367  -5.997
   27    H    GLY   5           HN       GLY   5  78.503  23.921  -5.840
   28    HA2  GLY   5           HA2      GLY   5  81.339  23.876  -6.494
   29    HA3  GLY   5           HA1      GLY   5  80.392  22.539  -5.848
   30    H    ASP   6           HN       ASP   6  82.266  22.830  -8.219
   31    HA   ASP   6           HA       ASP   6  80.898  22.688 -10.647
   32    HB2  ASP   6           HB2      ASP   6  83.537  22.332  -9.774
   33    HB3  ASP   6           HB1      ASP   6  83.107  20.818 -10.568
   34    H    PHE   7           HN       PHE   7  81.411  20.303 -11.856
   35    HA   PHE   7           HA       PHE   7  80.544  18.206 -12.205
   36    HB2  PHE   7           HB2      PHE   7  80.237  17.920  -9.223
   37    HB3  PHE   7           HB1      PHE   7  80.584  16.672 -10.419
   38    HD1  PHE   7           HD1      PHE   7  82.812  16.801 -11.690
   39    HD2  PHE   7           HD2      PHE   7  81.992  19.065  -8.132
   40    HE1  PHE   7           HE1      PHE   7  85.244  17.149 -11.351
   41    HE2  PHE   7           HE2      PHE   7  84.423  19.413  -7.794
   42    HZ   PHE   7           HZ       PHE   7  86.049  18.455  -9.403
   43    H    ASP   8           HN       ASP   8  78.831  19.151  -9.225
   44    HA   ASP   8           HA       ASP   8  76.321  18.211 -10.034
   45    HB2  ASP   8           HB2      ASP   8  77.287  20.119  -7.950
   46    HB3  ASP   8           HB1      ASP   8  75.559  20.062  -8.299
   47    H    ASN   9           HN       ASN   9  76.238  18.963 -12.269
   48    HA   ASN   9           HA       ASN   9  75.841  21.812 -12.714
   49    HB2  ASN   9           HB2      ASN   9  75.383  21.002 -15.092
   50    HB3  ASN   9           HB1      ASN   9  77.006  20.717 -14.465
   51   HD21  ASN   9          HD21      ASN   9  73.809  19.043 -14.639
   52   HD22  ASN   9          HD22      ASN   9  74.475  17.496 -14.859
   53    H    TYR  10           HN       TYR  10  73.964  19.408 -11.500
   54    HA   TYR  10           HA       TYR  10  71.706  19.204 -11.133
   55    HB2  TYR  10           HB2      TYR  10  71.265  21.840 -12.509
   56    HB3  TYR  10           HB1      TYR  10  70.391  21.140 -11.147
   57    HD1  TYR  10           HD2      TYR  10  71.748  20.748  -8.959
   58    HD2  TYR  10           HD1      TYR  10  73.008  23.365 -12.124
   59    HE1  TYR  10           HE2      TYR  10  73.256  21.928  -7.382
   60    HE2  TYR  10           HE1      TYR  10  74.517  24.545 -10.547
   61    HH   TYR  10           HH       TYR  10  75.681  23.541  -8.021
   62    H    TYR  11           HN       TYR  11  71.781  21.076 -14.169
   63    HA   TYR  11           HA       TYR  11  70.973  20.609 -16.267
   64    HB2  TYR  11           HB2      TYR  11  72.275  18.251 -15.386
   65    HB3  TYR  11           HB1      TYR  11  70.778  17.750 -16.172
   66    HD1  TYR  11           HD1      TYR  11  73.763  19.956 -16.626
   67    HD2  TYR  11           HD2      TYR  11  70.596  17.757 -18.520
   68    HE1  TYR  11           HE1      TYR  11  74.771  20.416 -18.844
   69    HE2  TYR  11           HE2      TYR  11  71.604  18.217 -20.738
   70    HH   TYR  11           HH       TYR  11  74.276  20.442 -21.117
   71    H    GLY  12           HN       GLY  12  69.631  17.868 -14.419
   72    HA2  GLY  12           HA2      GLY  12  67.090  17.945 -15.581
   73    HA3  GLY  12           HA1      GLY  12  67.459  17.223 -14.017
   74    H    ALA  13           HN       ALA  13  67.930  19.030 -12.280
   75    HA   ALA  13           HA       ALA  13  66.786  20.459 -10.862
   76    HB1  ALA  13           HB1      ALA  13  66.343  22.714 -12.223
   77    HB2  ALA  13           HB2      ALA  13  67.396  21.911 -13.389
   78    HB3  ALA  13           HB3      ALA  13  67.966  22.215 -11.747
   79    H    ASP  14           HN       ASP  14  65.177  21.858 -13.624
   80    HA   ASP  14           HA       ASP  14  62.627  21.820 -12.502
   81    HB2  ASP  14           HB2      ASP  14  62.010  21.863 -15.115
   82    HB3  ASP  14           HB1      ASP  14  62.669  23.263 -14.271
   83    H    ASN  15           HN       ASN  15  64.124  19.531 -14.775
   84    HA   ASN  15           HA       ASN  15  61.963  17.868 -15.271
   85    HB2  ASN  15           HB2      ASN  15  64.910  17.278 -15.014
   86    HB3  ASN  15           HB1      ASN  15  63.742  16.043 -15.477
   87   HD21  ASN  15          HD21      ASN  15  65.955  17.690 -17.006
   88   HD22  ASN  15          HD22      ASN  15  65.141  18.175 -18.414
   89    H    GLN  16           HN       GLN  16  64.126  17.947 -12.480
   90    HA   GLN  16           HA       GLN  16  62.609  15.755 -11.233
   91    HB2  GLN  16           HB2      GLN  16  65.092  17.069 -10.135
   92    HB3  GLN  16           HB1      GLN  16  64.433  15.480  -9.745
   93    HG2  GLN  16           HG2      GLN  16  64.808  14.872 -12.196
   94    HG3  GLN  16           HG1      GLN  16  65.749  16.357 -12.322
   95   HE21  GLN  16          HE21      GLN  16  65.706  13.109 -10.928
   96   HE22  GLN  16          HE22      GLN  16  67.314  13.130 -10.388
   97    H    SER  17           HN       SER  17  61.261  18.194 -11.504
   98    HA   SER  17           HA       SER  17  60.943  18.919  -8.669
   99    HB2  SER  17           HB2      SER  17  61.113  20.915 -10.939
  100    HB3  SER  17           HB1      SER  17  60.727  21.296  -9.263
  101    HG   SER  17           HG       SER  17  62.837  20.100  -8.882
  102    H    GLU  18           HN       GLU  18  58.854  19.255  -8.047
  103    HA   GLU  18           HA       GLU  18  56.754  18.146  -9.497
  104    HB2  GLU  18           HB2      GLU  18  56.575  20.289  -7.364
  105    HB3  GLU  18           HB1      GLU  18  55.271  19.215  -7.869
  106    HG2  GLU  18           HG2      GLU  18  56.579  17.262  -7.150
  107    HG3  GLU  18           HG1      GLU  18  57.907  18.317  -6.673
  108    H    CYS  19           HN       CYS  19  56.961  19.013 -11.639
  109    HA   CYS  19           HA       CYS  19  56.542  21.824 -12.120
  110    HB2  CYS  19           HB2      CYS  19  56.340  21.059 -14.518
  111    HB3  CYS  19           HB1      CYS  19  57.853  20.619 -13.726
  112    HG   CYS  19           HG       CYS  19  57.162  18.189 -13.688
  113    H    GLU  20           HN       GLU  20  54.517  21.449 -10.581
  114    HA   GLU  20           HA       GLU  20  52.220  21.271 -10.341
  115    HB2  GLU  20           HB2      GLU  20  52.369  22.595 -13.061
  116    HB3  GLU  20           HB1      GLU  20  51.005  22.657 -11.944
  117    HG2  GLU  20           HG2      GLU  20  53.789  23.659 -11.286
  118    HG3  GLU  20           HG1      GLU  20  52.468  24.691 -11.833
  119    H    TYR  21           HN       TYR  21  53.197  18.843 -11.161
  120    HA   TYR  21           HA       TYR  21  50.961  17.857 -12.781
  121    HB2  TYR  21           HB2      TYR  21  52.231  16.859 -14.422
  122    HB3  TYR  21           HB1      TYR  21  53.221  18.284 -14.110
  123    HD1  TYR  21           HD2      TYR  21  54.584  17.749 -11.639
  124    HD2  TYR  21           HD1      TYR  21  53.633  15.027 -14.823
  125    HE1  TYR  21           HE2      TYR  21  56.474  16.294 -10.959
  126    HE2  TYR  21           HE1      TYR  21  55.522  13.573 -14.143
  127    HH   TYR  21           HH       TYR  21  57.497  13.581 -12.913
  128    H    THR  22           HN       THR  22  51.976  17.770  -9.925
  129    HA   THR  22           HA       THR  22  51.310  15.027  -9.427
  130    HB   THR  22           HB       THR  22  53.774  14.964 -10.120
  131    HG1  THR  22           HG1      THR  22  52.520  13.911  -7.921
  132   HG21  THR  22          HG21      THR  22  54.238  16.041  -7.343
  133   HG22  THR  22          HG22      THR  22  54.216  17.110  -8.747
  134   HG23  THR  22          HG23      THR  22  55.407  15.814  -8.643
  135    H    ASP  23           HN       ASP  23  52.617  18.080  -8.257
  136    HA   ASP  23           HA       ASP  23  52.106  17.599  -5.491
  137    HB2  ASP  23           HB2      ASP  23  53.708  19.286  -6.100
  138    HB3  ASP  23           HB1      ASP  23  52.510  20.150  -7.062
  139    H    TRP  24           HN       TRP  24  50.240  18.964  -8.144
  140    HA   TRP  24           HA       TRP  24  48.026  19.602  -6.321
  141    HB2  TRP  24           HB2      TRP  24  47.151  20.949  -8.017
  142    HB3  TRP  24           HB1      TRP  24  48.891  21.143  -8.234
  143    HD1  TRP  24           HD1      TRP  24  50.044  19.701 -10.215
  144    HE1  TRP  24           HE1      TRP  24  49.066  18.845 -12.442
  145    HE3  TRP  24           HE3      TRP  24  45.054  20.095  -9.201
  146    HZ2  TRP  24           HZ2      TRP  24  46.508  18.389 -13.636
  147    HZ3  TRP  24           HZ3      TRP  24  43.371  19.445 -10.899
  148    HH2  TRP  24           HH2      TRP  24  44.092  18.592 -13.113
  149    H    LYS  25           HN       LYS  25  48.724  17.677  -9.226
  150    HA   LYS  25           HA       LYS  25  47.480  16.062 -10.293
  151    HB2  LYS  25           HB2      LYS  25  48.661  14.847  -8.520
  152    HB3  LYS  25           HB1      LYS  25  47.323  15.149  -7.411
  153    HG2  LYS  25           HG2      LYS  25  46.107  13.468  -8.287
  154    HG3  LYS  25           HG1      LYS  25  46.400  14.033  -9.931
  155    HD2  LYS  25           HD2      LYS  25  48.470  12.518  -8.326
  156    HD3  LYS  25           HD1      LYS  25  47.322  11.721  -9.401
  157    HE2  LYS  25           HE2      LYS  25  48.498  12.313 -11.234
  158    HE3  LYS  25           HE1      LYS  25  48.612  13.989 -10.700
  159    HZ1  LYS  25           HZ1      LYS  25  50.756  13.534 -10.389
  160    HZ2  LYS  25           HZ2      LYS  25  50.519  11.853 -10.456
  161    HZ3  LYS  25           HZ3      LYS  25  50.266  12.694  -9.000
  162    H    SER  26           HN       SER  26  45.614  15.677  -7.347
  163    HA   SER  26           HA       SER  26  43.383  15.951  -6.887
  164    HB2  SER  26           HB2      SER  26  43.124  17.841  -9.203
  165    HB3  SER  26           HB1      SER  26  42.295  17.868  -7.650
  166    HG   SER  26           HG       SER  26  44.294  18.402  -6.686
  167    H    SER  27           HN       SER  27  42.801  13.863  -7.474
  168    HA   SER  27           HA       SER  27  42.518  12.713  -9.931
  169    HB2  SER  27           HB2      SER  27  42.059  11.389  -8.007
  170    HB3  SER  27           HB1      SER  27  40.768  12.465  -7.484
  171    HG   SER  27           HG       SER  27  39.465  11.653  -8.987
  172    H    GLY  28           HN       GLY  28  39.797  14.312  -8.252
  173    HA2  GLY  28           HA2      GLY  28  38.838  15.281 -10.870
  174    HA3  GLY  28           HA1      GLY  28  37.741  14.410  -9.802
  175    H    ALA  29           HN       ALA  29  39.968  16.188  -8.028
  176    HA   ALA  29           HA       ALA  29  39.943  18.269  -7.015
  177    HB1  ALA  29           HB1      ALA  29  38.805  20.032  -7.952
  178    HB2  ALA  29           HB2      ALA  29  37.369  19.071  -8.299
  179    HB3  ALA  29           HB3      ALA  29  38.798  18.924  -9.323
  180    H    LEU  30           HN       LEU  30  39.163  16.213  -5.582
  181    HA   LEU  30           HA       LEU  30  36.979  17.309  -3.971
  182    HB2  LEU  30           HB2      LEU  30  35.942  15.068  -3.718
  183    HB3  LEU  30           HB1      LEU  30  35.821  15.687  -5.360
  184    HG   LEU  30           HG       LEU  30  37.987  13.777  -4.420
  185   HD11  LEU  30          HD11      LEU  30  36.267  12.514  -6.257
  186   HD12  LEU  30          HD12      LEU  30  35.213  13.309  -5.087
  187   HD13  LEU  30          HD13      LEU  30  36.432  12.159  -4.538
  188   HD21  LEU  30          HD21      LEU  30  38.906  14.563  -6.362
  189   HD22  LEU  30          HD22      LEU  30  37.369  15.175  -6.967
  190   HD23  LEU  30          HD23      LEU  30  37.755  13.464  -7.116
  191    H    ILE  31           HN       ILE  31  39.898  17.107  -3.721
  192    HA   ILE  31           HA       ILE  31  40.417  15.071  -1.740
  193    HB   ILE  31           HB       ILE  31  42.270  17.371  -1.954
  194   HG12  ILE  31          HG12      ILE  31  41.595  17.261  -4.285
  195   HG13  ILE  31          HG11      ILE  31  43.166  16.484  -4.131
  196   HG21  ILE  31          HG21      ILE  31  43.915  15.605  -1.903
  197   HG22  ILE  31          HG22      ILE  31  42.687  14.385  -2.238
  198   HG23  ILE  31          HG23      ILE  31  42.687  15.236  -0.693
  199   HD11  ILE  31          HD11      ILE  31  40.574  15.319  -4.893
  200   HD12  ILE  31          HD12      ILE  31  41.455  14.371  -3.697
  201   HD13  ILE  31          HD13      ILE  31  42.206  14.757  -5.243
  202    HA   PRO  32           HA       PRO  32  40.103  18.757   1.218
  203    HB2  PRO  32           HB2      PRO  32  39.053  21.110   0.323
  204    HB3  PRO  32           HB1      PRO  32  40.771  20.698   0.181
  205    HG2  PRO  32           HG2      PRO  32  38.707  20.837  -1.889
  206    HG3  PRO  32           HG1      PRO  32  40.466  20.921  -2.039
  207    HD2  PRO  32           HD2      PRO  32  38.764  18.661  -2.549
  208    HD3  PRO  32           HD1      PRO  32  40.533  18.741  -2.679
  209    H    ALA  33           HN       ALA  33  37.796  17.290  -0.463
  210    HA   ALA  33           HA       ALA  33  35.551  18.390   1.120
  211    HB1  ALA  33           HB1      ALA  33  35.303  18.533  -1.363
  212    HB2  ALA  33           HB2      ALA  33  34.061  17.546  -0.592
  213    HB3  ALA  33           HB3      ALA  33  35.406  16.774  -1.435
  214    H    ILE  34           HN       ILE  34  37.408  15.567   0.282
  215    HA   ILE  34           HA       ILE  34  35.660  13.873   1.952
  216    HB   ILE  34           HB       ILE  34  37.773  13.157  -0.091
  217   HG12  ILE  34          HG12      ILE  34  34.843  12.441  -0.113
  218   HG13  ILE  34          HG11      ILE  34  35.401  13.984  -0.758
  219   HG21  ILE  34          HG21      ILE  34  36.162  11.480   1.839
  220   HG22  ILE  34          HG22      ILE  34  37.907  11.472   1.582
  221   HG23  ILE  34          HG23      ILE  34  36.831  10.806   0.353
  222   HD11  ILE  34          HD11      ILE  34  36.860  12.861  -2.338
  223   HD12  ILE  34          HD12      ILE  34  35.241  12.179  -2.496
  224   HD13  ILE  34          HD13      ILE  34  36.491  11.291  -1.624
  225    H    TYR  35           HN       TYR  35  39.095  14.595   1.339
  226    HA   TYR  35           HA       TYR  35  40.117  13.170   3.553
  227    HB2  TYR  35           HB2      TYR  35  41.364  14.149   1.512
  228    HB3  TYR  35           HB1      TYR  35  41.404  15.650   2.436
  229    HD1  TYR  35           HD2      TYR  35  42.539  12.140   2.313
  230    HD2  TYR  35           HD1      TYR  35  42.728  15.853   4.464
  231    HE1  TYR  35           HE2      TYR  35  44.461  11.283   3.624
  232    HE2  TYR  35           HE1      TYR  35  44.650  14.996   5.776
  233    HH   TYR  35           HH       TYR  35  45.505  12.622   6.443
  234    H    MET  36           HN       MET  36  38.546  16.238   3.286
  235    HA   MET  36           HA       MET  36  39.476  17.127   5.913
  236    HB2  MET  36           HB2      MET  36  37.730  18.393   3.797
  237    HB3  MET  36           HB1      MET  36  37.996  19.120   5.383
  238    HG2  MET  36           HG2      MET  36  40.372  19.267   5.000
  239    HG3  MET  36           HG1      MET  36  40.244  18.317   3.519
  240    HE1  MET  36           HE1      MET  36  39.110  21.184   5.493
  241    HE2  MET  36           HE2      MET  36  38.776  22.523   4.398
  242    HE3  MET  36           HE3      MET  36  40.443  22.085   4.759
  243    H    LEU  37           HN       LEU  37  36.371  16.456   4.286
  244    HA   LEU  37           HA       LEU  37  34.874  16.574   6.733
  245    HB2  LEU  37           HB2      LEU  37  34.028  15.325   4.112
  246    HB3  LEU  37           HB1      LEU  37  32.984  15.932   5.397
  247    HG   LEU  37           HG       LEU  37  34.882  17.603   3.721
  248   HD11  LEU  37          HD11      LEU  37  32.975  18.428   2.600
  249   HD12  LEU  37          HD12      LEU  37  31.873  17.799   3.825
  250   HD13  LEU  37          HD13      LEU  37  32.674  16.694   2.709
  251   HD21  LEU  37          HD21      LEU  37  33.166  18.165   6.124
  252   HD22  LEU  37          HD22      LEU  37  33.423  19.435   4.929
  253   HD23  LEU  37          HD23      LEU  37  34.801  18.725   5.770
  254    H    VAL  38           HN       VAL  38  37.120  14.737   6.782
  255    HA   VAL  38           HA       VAL  38  35.640  12.287   7.483
  256    HB   VAL  38           HB       VAL  38  38.094  12.492   5.745
  257   HG11  VAL  38          HG11      VAL  38  38.785  10.864   7.308
  258   HG12  VAL  38          HG12      VAL  38  38.052   9.913   6.016
  259   HG13  VAL  38          HG13      VAL  38  37.152  10.227   7.500
  260   HG21  VAL  38          HG21      VAL  38  35.660  10.729   5.438
  261   HG22  VAL  38          HG22      VAL  38  36.806  11.239   4.198
  262   HG23  VAL  38          HG23      VAL  38  35.660  12.399   4.869
  263    H    PHE  39           HN       PHE  39  38.038  14.623   8.155
  264    HA   PHE  39           HA       PHE  39  39.149  13.015  10.362
  265    HB2  PHE  39           HB2      PHE  39  40.890  13.915   9.009
  266    HB3  PHE  39           HB1      PHE  39  40.125  15.504   8.961
  267    HD1  PHE  39           HD1      PHE  39  41.154  13.016  11.584
  268    HD2  PHE  39           HD2      PHE  39  41.107  17.122  10.322
  269    HE1  PHE  39           HE1      PHE  39  42.383  13.662  13.639
  270    HE2  PHE  39           HE2      PHE  39  42.335  17.768  12.376
  271    HZ   PHE  39           HZ       PHE  39  42.973  16.038  14.035
  272    H    LEU  40           HN       LEU  40  38.145  16.387   9.736
  273    HA   LEU  40           HA       LEU  40  37.650  16.801  12.576
  274    HB2  LEU  40           HB2      LEU  40  37.113  19.114  11.890
  275    HB3  LEU  40           HB1      LEU  40  38.688  18.600  11.284
  276    HG   LEU  40           HG       LEU  40  36.916  17.795   9.291
  277   HD11  LEU  40          HD11      LEU  40  36.182  20.564  10.294
  278   HD12  LEU  40          HD12      LEU  40  35.137  19.144  10.342
  279   HD13  LEU  40          HD13      LEU  40  35.615  19.835   8.790
  280   HD21  LEU  40          HD21      LEU  40  37.928  19.751   8.052
  281   HD22  LEU  40          HD22      LEU  40  39.110  18.729   8.867
  282   HD23  LEU  40          HD23      LEU  40  38.641  20.274   9.577
  283    H    LEU  41           HN       LEU  41  35.984  15.135  10.451
  284    HA   LEU  41           HA       LEU  41  33.398  15.956  11.582
  285    HB2  LEU  41           HB2      LEU  41  33.636  16.970   9.303
  286    HB3  LEU  41           HB1      LEU  41  33.810  15.346   8.645
  287    HG   LEU  41           HG       LEU  41  31.580  14.752   9.601
  288   HD11  LEU  41          HD11      LEU  41  31.815  17.554  10.613
  289   HD12  LEU  41          HD12      LEU  41  31.070  16.145  11.367
  290   HD13  LEU  41          HD13      LEU  41  30.223  17.009  10.085
  291   HD21  LEU  41          HD21      LEU  41  31.761  17.119   7.720
  292   HD22  LEU  41          HD22      LEU  41  30.262  16.240   8.021
  293   HD23  LEU  41          HD23      LEU  41  31.638  15.412   7.291
  294    H    GLY  42           HN       GLY  42  35.339  13.537   9.900
  295    HA2  GLY  42           HA2      GLY  42  33.685  11.372   9.730
  296    HA3  GLY  42           HA1      GLY  42  35.384  11.239  10.169
  297    H    THR  43           HN       THR  43  35.371  12.506  12.648
  298    HA   THR  43           HA       THR  43  33.368  11.160  14.297
  299    HB   THR  43           HB       THR  43  35.140   9.473  14.045
  300    HG1  THR  43           HG1      THR  43  34.359  10.630  16.353
  301   HG21  THR  43          HG21      THR  43  37.020  11.378  15.427
  302   HG22  THR  43          HG22      THR  43  36.913  11.327  13.668
  303   HG23  THR  43          HG23      THR  43  37.399   9.888  14.564
  304    H    THR  44           HN       THR  44  36.367  13.078  14.275
  305    HA   THR  44           HA       THR  44  36.106  14.235  16.812
  306    HB   THR  44           HB       THR  44  37.422  15.195  14.273
  307    HG1  THR  44           HG1      THR  44  38.969  14.045  15.059
  308   HG21  THR  44          HG21      THR  44  38.574  16.822  15.922
  309   HG22  THR  44          HG22      THR  44  37.179  16.534  16.962
  310   HG23  THR  44          HG23      THR  44  36.954  17.235  15.359
  311    H    GLY  45           HN       GLY  45  34.176  14.627  14.059
  312    HA2  GLY  45           HA2      GLY  45  33.398  17.280  14.052
  313    HA3  GLY  45           HA1      GLY  45  32.321  15.940  13.668
  314    H    ASN  46           HN       ASN  46  32.917  14.912  16.502
  315    HA   ASN  46           HA       ASN  46  31.333  16.854  18.049
  316    HB2  ASN  46           HB2      ASN  46  29.603  15.435  18.470
  317    HB3  ASN  46           HB1      ASN  46  30.086  14.740  16.924
  318   HD21  ASN  46          HD21      ASN  46  31.945  12.989  17.201
  319   HD22  ASN  46          HD22      ASN  46  31.743  11.918  18.502
  320    H    GLY  47           HN       GLY  47  34.165  15.573  17.898
  321    HA2  GLY  47           HA2      GLY  47  34.378  14.321  20.522
  322    HA3  GLY  47           HA1      GLY  47  35.686  14.562  19.367
  323    H    LEU  48           HN       LEU  48  33.770  17.327  19.851
  324    HA   LEU  48           HA       LEU  48  35.952  18.612  21.316
  325    HB2  LEU  48           HB2      LEU  48  33.579  19.600  19.756
  326    HB3  LEU  48           HB1      LEU  48  34.436  20.680  20.853
  327    HG   LEU  48           HG       LEU  48  35.262  20.744  18.462
  328   HD11  LEU  48          HD11      LEU  48  37.260  21.381  19.291
  329   HD12  LEU  48          HD12      LEU  48  37.654  19.731  19.773
  330   HD13  LEU  48          HD13      LEU  48  36.729  20.769  20.856
  331   HD21  LEU  48          HD21      LEU  48  36.426  18.880  17.546
  332   HD22  LEU  48          HD22      LEU  48  34.940  18.210  18.219
  333   HD23  LEU  48          HD23      LEU  48  36.460  18.042  19.096
  334    H    VAL  49           HN       VAL  49  33.215  16.960  22.100
  335    HA   VAL  49           HA       VAL  49  32.551  18.676  24.403
  336    HB   VAL  49           HB       VAL  49  31.097  16.349  23.131
  337   HG11  VAL  49          HG11      VAL  49  30.707  17.792  25.737
  338   HG12  VAL  49          HG12      VAL  49  30.544  16.072  25.382
  339   HG13  VAL  49          HG13      VAL  49  29.300  17.204  24.853
  340   HG21  VAL  49          HG21      VAL  49  29.692  18.879  23.505
  341   HG22  VAL  49          HG22      VAL  49  29.908  17.930  22.035
  342   HG23  VAL  49          HG23      VAL  49  31.150  19.078  22.532
  343    H    LEU  50           HN       LEU  50  34.518  16.121  23.627
  344    HA   LEU  50           HA       LEU  50  34.602  15.246  26.440
  345    HB2  LEU  50           HB2      LEU  50  35.193  12.918  25.396
  346    HB3  LEU  50           HB1      LEU  50  33.502  13.397  25.553
  347    HG   LEU  50           HG       LEU  50  34.877  14.233  23.054
  348   HD11  LEU  50          HD11      LEU  50  34.364  11.371  23.832
  349   HD12  LEU  50          HD12      LEU  50  35.755  12.058  22.994
  350   HD13  LEU  50          HD13      LEU  50  34.219  11.872  22.147
  351   HD21  LEU  50          HD21      LEU  50  32.717  14.019  22.153
  352   HD22  LEU  50          HD22      LEU  50  32.387  14.511  23.813
  353   HD23  LEU  50          HD23      LEU  50  32.235  12.817  23.349
  354    H    TRP  51           HN       TRP  51  36.198  16.879  24.267
  355    HA   TRP  51           HA       TRP  51  38.785  15.510  24.557
  356    HB2  TRP  51           HB2      TRP  51  38.425  16.159  22.308
  357    HB3  TRP  51           HB1      TRP  51  37.818  17.746  22.779
  358    HD1  TRP  51           HD1      TRP  51  41.086  15.800  23.536
  359    HE1  TRP  51           HE1      TRP  51  43.070  17.408  23.177
  360    HE3  TRP  51           HE3      TRP  51  38.567  20.002  22.097
  361    HZ2  TRP  51           HZ2      TRP  51  43.527  20.117  22.385
  362    HZ3  TRP  51           HZ3      TRP  51  39.800  22.080  21.546
  363    HH2  TRP  51           HH2      TRP  51  42.274  22.142  21.689
  364    H    THR  52           HN       THR  52  38.223  18.980  24.294
  365    HA   THR  52           HA       THR  52  40.182  19.664  26.194
  366    HB   THR  52           HB       THR  52  39.363  21.222  24.464
  367    HG1  THR  52           HG1      THR  52  39.862  22.790  25.757
  368   HG21  THR  52          HG21      THR  52  36.860  20.396  25.273
  369   HG22  THR  52          HG22      THR  52  37.182  21.788  24.240
  370   HG23  THR  52          HG23      THR  52  36.972  22.008  25.977
  371    H    VAL  53           HN       VAL  53  36.766  18.963  26.504
  372    HA   VAL  53           HA       VAL  53  36.322  20.050  29.068
  373    HB   VAL  53           HB       VAL  53  35.029  17.768  27.571
  374   HG11  VAL  53          HG11      VAL  53  33.208  18.341  29.446
  375   HG12  VAL  53          HG12      VAL  53  34.657  18.729  30.374
  376   HG13  VAL  53          HG13      VAL  53  34.446  17.112  29.705
  377   HG21  VAL  53          HG21      VAL  53  34.075  20.553  28.315
  378   HG22  VAL  53          HG22      VAL  53  33.208  19.386  27.315
  379   HG23  VAL  53          HG23      VAL  53  34.714  20.099  26.735
  380    H    PHE  54           HN       PHE  54  37.539  16.900  28.010
  381    HA   PHE  54           HA       PHE  54  37.712  15.883  30.717
  382    HB2  PHE  54           HB2      PHE  54  37.558  14.701  28.236
  383    HB3  PHE  54           HB1      PHE  54  39.256  14.483  28.658
  384    HD1  PHE  54           HD2      PHE  54  35.791  14.043  29.989
  385    HD2  PHE  54           HD1      PHE  54  39.908  12.837  30.216
  386    HE1  PHE  54           HE2      PHE  54  35.171  12.221  31.552
  387    HE2  PHE  54           HE1      PHE  54  39.287  11.016  31.779
  388    HZ   PHE  54           HZ       PHE  54  36.920  10.707  32.447
  389    H    ARG  55           HN       ARG  55  39.171  18.358  30.028
  390    HA   ARG  55           HA       ARG  55  41.833  17.471  30.919
  391    HB2  ARG  55           HB2      ARG  55  41.200  19.243  28.571
  392    HB3  ARG  55           HB1      ARG  55  42.736  19.382  29.428
  393    HG2  ARG  55           HG2      ARG  55  43.437  17.252  28.804
  394    HG3  ARG  55           HG1      ARG  55  41.789  16.670  28.565
  395    HD2  ARG  55           HD2      ARG  55  41.569  17.793  26.496
  396    HD3  ARG  55           HD1      ARG  55  42.950  18.837  26.819
  397    HE   ARG  55           HE       ARG  55  43.034  16.202  25.679
  398   HH11  ARG  55          HH21      ARG  55  44.695  18.492  27.672
  399   HH12  ARG  55          HH22      ARG  55  46.270  17.860  27.322
  400   HH21  ARG  55          HH11      ARG  55  45.095  15.368  25.217
  401   HH22  ARG  55          HH12      ARG  55  46.497  16.091  25.933
  402    H    LYS  56           HN       LYS  56  39.395  19.986  30.676
  403    HA   LYS  56           HA       LYS  56  40.821  21.843  32.366
  404    HB2  LYS  56           HB2      LYS  56  38.772  23.177  32.253
  405    HB3  LYS  56           HB1      LYS  56  39.227  22.618  30.643
  406    HG2  LYS  56           HG2      LYS  56  37.156  21.748  30.458
  407    HG3  LYS  56           HG1      LYS  56  37.621  20.568  31.683
  408    HD2  LYS  56           HD2      LYS  56  35.619  21.641  32.474
  409    HD3  LYS  56           HD1      LYS  56  36.955  22.275  33.435
  410    HE2  LYS  56           HE2      LYS  56  36.829  23.953  31.192
  411    HE3  LYS  56           HE1      LYS  56  35.148  23.692  31.659
  412    HZ1  LYS  56           HZ1      LYS  56  35.629  25.352  33.086
  413    HZ2  LYS  56           HZ2      LYS  56  37.295  25.024  33.103
  414    HZ3  LYS  56           HZ3      LYS  56  36.232  24.084  34.037
  415    H    LYS  57           HN       LYS  57  39.392  18.968  33.010
  416    HA   LYS  57           HA       LYS  57  37.702  19.362  35.187
  417    HB2  LYS  57           HB2      LYS  57  38.392  17.175  33.967
  418    HB3  LYS  57           HB1      LYS  57  39.705  17.121  35.143
  419    HG2  LYS  57           HG2      LYS  57  37.890  17.465  36.934
  420    HG3  LYS  57           HG1      LYS  57  36.732  17.063  35.665
  421    HD2  LYS  57           HD2      LYS  57  38.314  14.996  35.274
  422    HD3  LYS  57           HD1      LYS  57  38.830  15.329  36.928
  423    HE2  LYS  57           HE2      LYS  57  37.052  13.930  37.378
  424    HE3  LYS  57           HE1      LYS  57  36.191  15.467  37.321
  425    HZ1  LYS  57           HZ1      LYS  57  36.580  13.853  34.883
  426    HZ2  LYS  57           HZ2      LYS  57  35.417  15.052  35.192
  427    HZ3  LYS  57           HZ3      LYS  57  35.295  13.533  35.941
  428    H    GLY  58           HN       GLY  58  41.072  19.943  34.909
  429    HA2  GLY  58           HA2      GLY  58  42.253  21.264  36.506
  430    HA3  GLY  58           HA1      GLY  58  41.180  20.656  37.762
  431    H    HIS  59           HN       HIS  59  41.277  18.049  37.731
  432    HA   HIS  59           HA       HIS  59  44.095  17.207  37.576
  433    HB2  HIS  59           HB2      HIS  59  43.606  15.989  39.821
  434    HB3  HIS  59           HB1      HIS  59  44.003  17.707  39.859
  435    HD2  HIS  59           HD2      HIS  59  40.374  16.775  38.765
  436    HE1  HIS  59           HE1      HIS  59  40.171  18.291  42.700
  437    HE2  HIS  59           HE2      HIS  59  38.797  17.565  40.691
  438    H    HIS  60           HN       HIS  60  41.878  15.264  39.325
  439    HA   HIS  60           HA       HIS  60  40.861  13.786  37.068
  440    HB2  HIS  60           HB2      HIS  60  42.049  11.645  38.059
  441    HB3  HIS  60           HB1      HIS  60  42.876  12.666  36.882
  442    HD2  HIS  60           HD2      HIS  60  44.852  14.447  38.059
  443    HE1  HIS  60           HE1      HIS  60  45.004  12.371  41.733
  444    HE2  HIS  60           HE2      HIS  60  46.141  14.141  40.310
  445    H    HIS  61           HN       HIS  61  41.739  12.111  39.977
  446    HA   HIS  61           HA       HIS  61  38.900  11.942  40.705
  447    HB2  HIS  61           HB2      HIS  61  41.219  10.377  41.851
  448    HB3  HIS  61           HB1      HIS  61  39.501  10.007  41.995
  449    HD2  HIS  61           HD2      HIS  61  38.742  10.376  38.756
  450    HE1  HIS  61           HE1      HIS  61  41.631   7.352  38.184
  451    HE2  HIS  61           HE2      HIS  61  39.678   8.574  37.116
  452    H    HIS  62           HN       HIS  62  38.223  12.218  42.899
  453    HA   HIS  62           HA       HIS  62  39.967  13.287  44.898
  454    HB2  HIS  62           HB2      HIS  62  38.715  15.138  43.032
  455    HB3  HIS  62           HB1      HIS  62  38.240  15.459  44.700
  456    HD2  HIS  62           HD2      HIS  62  40.464  16.050  46.466
  457    HE1  HIS  62           HE1      HIS  62  43.220  16.687  43.331
  458    HE2  HIS  62           HE2      HIS  62  42.828  16.955  45.826
  459    H    HIS  63           HN       HIS  63  38.435  14.438  46.650
  460    HA   HIS  63           HA       HIS  63  35.771  13.336  46.800
  461    HB2  HIS  63           HB2      HIS  63  37.301  11.413  47.432
  462    HB3  HIS  63           HB1      HIS  63  37.778  12.364  48.838
  463    HD2  HIS  63           HD2      HIS  63  34.091  11.748  47.435
  464    HE1  HIS  63           HE1      HIS  63  34.227  10.708  51.526
  465    HE2  HIS  63           HE2      HIS  63  32.716  10.919  49.495
  466    H    HIS  64           HN       HIS  64  36.096  15.880  46.839
  467    HA   HIS  64           HA       HIS  64  36.964  17.342  48.971
  468    HB2  HIS  64           HB2      HIS  64  35.130  17.738  46.843
  469    HB3  HIS  64           HB1      HIS  64  34.341  18.295  48.318
  470    HD2  HIS  64           HD2      HIS  64  37.360  19.281  46.035
  471    HE1  HIS  64           HE1      HIS  64  37.138  22.103  49.168
  472    HE2  HIS  64           HE2      HIS  64  38.269  21.547  46.963
  Start of MODEL   28
    1    H1   MET   1           HT1      MET   1  45.076 -18.954   7.560
    2    H2   MET   1           HT2      MET   1  45.805 -19.987   6.423
    3    H3   MET   1           HT3      MET   1  44.354 -19.188   6.043
    4    HA   MET   1           HA       MET   1  46.804 -17.680   6.706
    5    HB2  MET   1           HB2      MET   1  47.419 -19.144   4.862
    6    HB3  MET   1           HB1      MET   1  45.928 -18.747   4.007
    7    HG2  MET   1           HG2      MET   1  46.760 -16.785   3.235
    8    HG3  MET   1           HG1      MET   1  47.490 -16.386   4.790
    9    HE1  MET   1           HE1      MET   1  48.030 -19.671   2.568
   10    HE2  MET   1           HE2      MET   1  49.213 -19.004   1.447
   11    HE3  MET   1           HE3      MET   1  47.610 -18.282   1.557
   12    H    GLU   2           HN       GLU   2  44.987 -16.450   7.747
   13    HA   GLU   2           HA       GLU   2  43.297 -15.010   5.815
   14    HB2  GLU   2           HB2      GLU   2  43.203 -15.231   8.830
   15    HB3  GLU   2           HB1      GLU   2  42.158 -14.159   7.896
   16    HG2  GLU   2           HG2      GLU   2  42.360 -17.133   7.372
   17    HG3  GLU   2           HG1      GLU   2  41.155 -16.426   8.446
   18    H    GLU   3           HN       GLU   3  46.016 -14.393   5.727
   19    HA   GLU   3           HA       GLU   3  46.905 -12.298   7.331
   20    HB2  GLU   3           HB2      GLU   3  47.418 -12.870   4.406
   21    HB3  GLU   3           HB1      GLU   3  48.292 -11.648   5.333
   22    HG2  GLU   3           HG2      GLU   3  49.144 -13.314   6.858
   23    HG3  GLU   3           HG1      GLU   3  48.122 -14.560   6.146
   24    H    GLY   4           HN       GLY   4  46.740 -10.072   7.239
   25    HA2  GLY   4           HA2      GLY   4  44.277  -9.016   6.228
   26    HA3  GLY   4           HA1      GLY   4  45.561  -8.098   7.012
   27    H    GLY   5           HN       GLY   5  47.549  -9.190   5.051
   28    HA2  GLY   5           HA2      GLY   5  46.861  -8.471   2.413
   29    HA3  GLY   5           HA1      GLY   5  47.561  -7.067   3.215
   30    H    ASP   6           HN       ASP   6  48.205  -9.982   1.597
   31    HA   ASP   6           HA       ASP   6  50.698 -10.745   2.617
   32    HB2  ASP   6           HB2      ASP   6  49.067 -11.495   0.473
   33    HB3  ASP   6           HB1      ASP   6  50.586 -10.993  -0.269
   34    H    PHE   7           HN       PHE   7  49.865  -7.805   1.335
   35    HA   PHE   7           HA       PHE   7  52.042  -7.119  -0.307
   36    HB2  PHE   7           HB2      PHE   7  49.782  -5.835   0.592
   37    HB3  PHE   7           HB1      PHE   7  51.068  -4.958   1.419
   38    HD1  PHE   7           HD2      PHE   7  53.301  -5.010  -0.407
   39    HD2  PHE   7           HD1      PHE   7  49.116  -4.584  -1.275
   40    HE1  PHE   7           HE2      PHE   7  53.859  -3.827  -2.515
   41    HE2  PHE   7           HE1      PHE   7  49.674  -3.401  -3.382
   42    HZ   PHE   7           HZ       PHE   7  52.044  -3.022  -4.002
   43    H    ASP   8           HN       ASP   8  51.577  -6.682   3.200
   44    HA   ASP   8           HA       ASP   8  54.020  -5.455   3.772
   45    HB2  ASP   8           HB2      ASP   8  52.317  -7.309   5.446
   46    HB3  ASP   8           HB1      ASP   8  53.700  -6.415   6.074
   47    H    ASN   9           HN       ASN   9  56.027  -6.156   3.470
   48    HA   ASN   9           HA       ASN   9  56.803  -8.840   4.221
   49    HB2  ASN   9           HB2      ASN   9  56.188  -9.518   2.076
   50    HB3  ASN   9           HB1      ASN   9  56.655  -7.981   1.349
   51   HD21  ASN   9          HD21      ASN   9  59.115  -7.514   1.436
   52   HD22  ASN   9          HD22      ASN   9  60.158  -8.840   1.248
   53    H    TYR  10           HN       TYR  10  57.732  -5.858   2.525
   54    HA   TYR  10           HA       TYR  10  60.512  -6.167   3.340
   55    HB2  TYR  10           HB2      TYR  10  59.013  -4.159   1.669
   56    HB3  TYR  10           HB1      TYR  10  60.670  -3.859   2.196
   57    HD1  TYR  10           HD1      TYR  10  62.502  -5.419   1.526
   58    HD2  TYR  10           HD2      TYR  10  58.516  -5.775  -0.036
   59    HE1  TYR  10           HE1      TYR  10  63.347  -6.866  -0.302
   60    HE2  TYR  10           HE2      TYR  10  59.361  -7.222  -1.864
   61    HH   TYR  10           HH       TYR  10  61.227  -7.941  -2.923
   62    H    TYR  11           HN       TYR  11  57.692  -4.212   4.145
   63    HA   TYR  11           HA       TYR  11  57.233  -2.917   5.988
   64    HB2  TYR  11           HB2      TYR  11  58.867  -4.888   6.967
   65    HB3  TYR  11           HB1      TYR  11  59.755  -3.430   7.407
   66    HD1  TYR  11           HD2      TYR  11  57.686  -1.455   7.901
   67    HD2  TYR  11           HD1      TYR  11  57.739  -5.637   8.883
   68    HE1  TYR  11           HE2      TYR  11  56.093  -1.041   9.755
   69    HE2  TYR  11           HE1      TYR  11  56.146  -5.223  10.737
   70    HH   TYR  11           HH       TYR  11  55.626  -2.869  12.220
   71    H    GLY  12           HN       GLY  12  60.793  -2.798   5.736
   72    HA2  GLY  12           HA2      GLY  12  60.688   0.125   5.833
   73    HA3  GLY  12           HA1      GLY  12  62.134  -0.872   5.957
   74    H    ALA  13           HN       ALA  13  59.545  -0.172   3.600
   75    HA   ALA  13           HA       ALA  13  61.622   0.174   1.535
   76    HB1  ALA  13           HB1      ALA  13  59.547  -1.872   1.642
   77    HB2  ALA  13           HB2      ALA  13  60.950  -1.749   0.580
   78    HB3  ALA  13           HB3      ALA  13  59.457  -0.903   0.171
   79    H    ASP  14           HN       ASP  14  58.326   0.775   2.633
   80    HA   ASP  14           HA       ASP  14  57.381   2.428   0.620
   81    HB2  ASP  14           HB2      ASP  14  56.281   1.606   2.858
   82    HB3  ASP  14           HB1      ASP  14  56.875   3.142   3.486
   83    H    ASN  15           HN       ASN  15  59.907   3.001   2.898
   84    HA   ASN  15           HA       ASN  15  59.885   5.823   2.976
   85    HB2  ASN  15           HB2      ASN  15  61.759   3.666   3.668
   86    HB3  ASN  15           HB1      ASN  15  62.539   5.175   3.197
   87   HD21  ASN  15          HD21      ASN  15  59.462   4.576   4.986
   88   HD22  ASN  15          HD22      ASN  15  59.908   5.496   6.341
   89    H    GLN  16           HN       GLN  16  61.792   3.592   0.943
   90    HA   GLN  16           HA       GLN  16  62.528   5.829  -0.803
   91    HB2  GLN  16           HB2      GLN  16  63.407   3.038  -1.365
   92    HB3  GLN  16           HB1      GLN  16  64.301   4.552  -1.510
   93    HG2  GLN  16           HG2      GLN  16  64.228   4.679   1.040
   94    HG3  GLN  16           HG1      GLN  16  63.668   3.008   1.011
   95   HE21  GLN  16          HE21      GLN  16  66.470   5.043   0.758
   96   HE22  GLN  16          HE22      GLN  16  67.587   3.811   0.418
   97    H    SER  17           HN       SER  17  59.818   5.226  -0.873
   98    HA   SER  17           HA       SER  17  59.553   4.325  -3.653
   99    HB2  SER  17           HB2      SER  17  59.013   2.511  -1.770
  100    HB3  SER  17           HB1      SER  17  57.476   3.369  -1.745
  101    HG   SER  17           HG       SER  17  57.830   1.547  -3.320
  102    H    GLU  18           HN       GLU  18  56.754   4.375  -3.730
  103    HA   GLU  18           HA       GLU  18  56.216   7.080  -4.172
  104    HB2  GLU  18           HB2      GLU  18  53.786   6.336  -4.131
  105    HB3  GLU  18           HB1      GLU  18  54.835   5.458  -5.244
  106    HG2  GLU  18           HG2      GLU  18  54.846   4.266  -2.585
  107    HG3  GLU  18           HG1      GLU  18  53.222   4.327  -3.267
  108    H    CYS  19           HN       CYS  19  57.005   8.132  -2.245
  109    HA   CYS  19           HA       CYS  19  54.938   8.257  -0.152
  110    HB2  CYS  19           HB2      CYS  19  57.210   6.905   0.350
  111    HB3  CYS  19           HB1      CYS  19  57.754   8.535   0.744
  112    HG   CYS  19           HG       CYS  19  55.396   7.072   2.176
  113    H    GLU  20           HN       GLU  20  55.515   9.970  -2.423
  114    HA   GLU  20           HA       GLU  20  55.964  12.466  -0.942
  115    HB2  GLU  20           HB2      GLU  20  57.145  12.833  -3.487
  116    HB3  GLU  20           HB1      GLU  20  57.946  12.840  -1.916
  117    HG2  GLU  20           HG2      GLU  20  58.248  10.416  -2.021
  118    HG3  GLU  20           HG1      GLU  20  57.370  10.352  -3.548
  119    H    TYR  21           HN       TYR  21  54.830  10.822  -3.847
  120    HA   TYR  21           HA       TYR  21  53.407  13.159  -4.811
  121    HB2  TYR  21           HB2      TYR  21  53.382  10.273  -5.730
  122    HB3  TYR  21           HB1      TYR  21  52.569  11.603  -6.554
  123    HD1  TYR  21           HD2      TYR  21  55.910  10.420  -5.386
  124    HD2  TYR  21           HD1      TYR  21  53.750  13.027  -8.030
  125    HE1  TYR  21           HE2      TYR  21  58.025  10.996  -6.546
  126    HE2  TYR  21           HE1      TYR  21  55.865  13.603  -9.190
  127    HH   TYR  21           HH       TYR  21  58.988  12.329  -8.057
  128    H    THR  22           HN       THR  22  52.531   9.961  -3.505
  129    HA   THR  22           HA       THR  22  49.790  10.113  -3.526
  130    HB   THR  22           HB       THR  22  49.788   8.432  -1.912
  131    HG1  THR  22           HG1      THR  22  51.019   8.477  -0.159
  132   HG21  THR  22          HG21      THR  22  51.500   8.154  -3.895
  133   HG22  THR  22          HG22      THR  22  51.464   6.968  -2.591
  134   HG23  THR  22          HG23      THR  22  52.698   8.228  -2.603
  135    H    ASP  23           HN       ASP  23  52.035  11.742  -1.380
  136    HA   ASP  23           HA       ASP  23  50.567  12.571   0.735
  137    HB2  ASP  23           HB2      ASP  23  52.755  13.715  -0.823
  138    HB3  ASP  23           HB1      ASP  23  51.765  14.942  -0.034
  139    H    TRP  24           HN       TRP  24  49.954  13.352  -2.580
  140    HA   TRP  24           HA       TRP  24  47.595  14.893  -1.740
  141    HB2  TRP  24           HB2      TRP  24  48.078  16.470  -3.693
  142    HB3  TRP  24           HB1      TRP  24  49.085  16.660  -2.258
  143    HD1  TRP  24           HD1      TRP  24  51.455  15.079  -2.391
  144    HE1  TRP  24           HE1      TRP  24  53.061  14.886  -4.398
  145    HE3  TRP  24           HE3      TRP  24  48.364  16.629  -6.148
  146    HZ2  TRP  24           HZ2      TRP  24  53.039  15.332  -7.223
  147    HZ3  TRP  24           HZ3      TRP  24  49.180  16.735  -8.485
  148    HH2  TRP  24           HH2      TRP  24  51.512  16.089  -9.027
  149    H    LYS  25           HN       LYS  25  49.095  14.241  -4.904
  150    HA   LYS  25           HA       LYS  25  48.105  13.458  -6.844
  151    HB2  LYS  25           HB2      LYS  25  48.304  11.408  -4.830
  152    HB3  LYS  25           HB1      LYS  25  46.919  11.092  -5.876
  153    HG2  LYS  25           HG2      LYS  25  48.315  11.250  -7.861
  154    HG3  LYS  25           HG1      LYS  25  49.705  11.730  -6.886
  155    HD2  LYS  25           HD2      LYS  25  48.652   9.302  -5.797
  156    HD3  LYS  25           HD1      LYS  25  48.846   9.087  -7.537
  157    HE2  LYS  25           HE2      LYS  25  51.173   9.877  -7.387
  158    HE3  LYS  25           HE1      LYS  25  50.985  10.121  -5.652
  159    HZ1  LYS  25           HZ1      LYS  25  50.367   7.700  -5.551
  160    HZ2  LYS  25           HZ2      LYS  25  51.994   8.032  -5.912
  161    HZ3  LYS  25           HZ3      LYS  25  50.923   7.567  -7.148
  162    H    SER  26           HN       SER  26  46.466  14.890  -7.331
  163    HA   SER  26           HA       SER  26  43.836  14.527  -6.112
  164    HB2  SER  26           HB2      SER  26  43.452  16.440  -7.984
  165    HB3  SER  26           HB1      SER  26  44.047  16.777  -6.362
  166    HG   SER  26           HG       SER  26  46.108  16.014  -7.829
  167    H    SER  27           HN       SER  27  43.442  12.403  -6.986
  168    HA   SER  27           HA       SER  27  43.515  11.527  -9.565
  169    HB2  SER  27           HB2      SER  27  42.692  10.206  -7.616
  170    HB3  SER  27           HB1      SER  27  41.174  11.096  -7.695
  171    HG   SER  27           HG       SER  27  42.313   9.602  -9.828
  172    H    GLY  28           HN       GLY  28  40.467  12.801  -8.227
  173    HA2  GLY  28           HA2      GLY  28  39.820  13.849 -10.916
  174    HA3  GLY  28           HA1      GLY  28  38.633  13.359  -9.713
  175    H    ALA  29           HN       ALA  29  40.916  14.850  -7.951
  176    HA   ALA  29           HA       ALA  29  41.310  17.012  -7.212
  177    HB1  ALA  29           HB1      ALA  29  40.659  17.581  -9.729
  178    HB2  ALA  29           HB2      ALA  29  40.786  18.839  -8.500
  179    HB3  ALA  29           HB3      ALA  29  39.204  18.207  -8.954
  180    H    LEU  30           HN       LEU  30  39.757  15.333  -5.808
  181    HA   LEU  30           HA       LEU  30  37.781  17.160  -4.633
  182    HB2  LEU  30           HB2      LEU  30  36.194  15.261  -4.322
  183    HB3  LEU  30           HB1      LEU  30  36.408  15.714  -6.009
  184    HG   LEU  30           HG       LEU  30  37.947  13.470  -4.660
  185   HD11  LEU  30          HD11      LEU  30  36.404  11.926  -5.708
  186   HD12  LEU  30          HD12      LEU  30  35.543  13.251  -6.492
  187   HD13  LEU  30          HD13      LEU  30  35.471  13.067  -4.739
  188   HD21  LEU  30          HD21      LEU  30  39.187  13.745  -6.554
  189   HD22  LEU  30          HD22      LEU  30  37.941  14.700  -7.353
  190   HD23  LEU  30          HD23      LEU  30  37.839  12.941  -7.352
  191    H    ILE  31           HN       ILE  31  40.509  16.206  -3.976
  192    HA   ILE  31           HA       ILE  31  40.270  14.382  -1.776
  193    HB   ILE  31           HB       ILE  31  42.599  16.239  -2.129
  194   HG12  ILE  31          HG12      ILE  31  42.109  15.485  -4.396
  195   HG13  ILE  31          HG11      ILE  31  43.505  14.598  -3.790
  196   HG21  ILE  31          HG21      ILE  31  42.511  14.633  -0.237
  197   HG22  ILE  31          HG22      ILE  31  43.827  14.269  -1.355
  198   HG23  ILE  31          HG23      ILE  31  42.347  13.309  -1.391
  199   HD11  ILE  31          HD11      ILE  31  42.034  13.010  -4.866
  200   HD12  ILE  31          HD12      ILE  31  40.646  13.599  -3.956
  201   HD13  ILE  31          HD13      ILE  31  41.939  12.732  -3.129
  202    HA   PRO  32           HA       PRO  32  40.514  18.341   0.835
  203    HB2  PRO  32           HB2      PRO  32  39.815  20.720  -0.356
  204    HB3  PRO  32           HB1      PRO  32  41.473  20.105  -0.259
  205    HG2  PRO  32           HG2      PRO  32  39.708  20.314  -2.564
  206    HG3  PRO  32           HG1      PRO  32  41.459  20.084  -2.501
  207    HD2  PRO  32           HD2      PRO  32  39.426  18.105  -3.007
  208    HD3  PRO  32           HD1      PRO  32  41.187  17.880  -2.977
  209    H    ALA  33           HN       ALA  33  38.211  16.780  -0.304
  210    HA   ALA  33           HA       ALA  33  36.029  18.417   0.837
  211    HB1  ALA  33           HB1      ALA  33  35.129  18.375  -1.236
  212    HB2  ALA  33           HB2      ALA  33  34.751  16.691  -0.876
  213    HB3  ALA  33           HB3      ALA  33  36.211  17.094  -1.778
  214    H    ILE  34           HN       ILE  34  36.512  15.054  -0.261
  215    HA   ILE  34           HA       ILE  34  34.931  13.957   1.835
  216    HB   ILE  34           HB       ILE  34  36.781  11.995   0.914
  217   HG12  ILE  34          HG12      ILE  34  37.301  13.592  -0.921
  218   HG13  ILE  34          HG11      ILE  34  36.488  12.147  -1.508
  219   HG21  ILE  34          HG21      ILE  34  34.713  11.090  -0.166
  220   HG22  ILE  34          HG22      ILE  34  33.883  12.590   0.250
  221   HG23  ILE  34          HG23      ILE  34  34.482  11.530   1.526
  222   HD11  ILE  34          HD11      ILE  34  34.531  14.152  -0.770
  223   HD12  ILE  34          HD12      ILE  34  34.777  13.357  -2.323
  224   HD13  ILE  34          HD13      ILE  34  35.686  14.813  -1.926
  225    H    TYR  35           HN       TYR  35  38.445  14.138   1.313
  226    HA   TYR  35           HA       TYR  35  39.143  12.905   3.781
  227    HB2  TYR  35           HB2      TYR  35  40.592  13.239   1.674
  228    HB3  TYR  35           HB1      TYR  35  40.889  14.859   2.299
  229    HD1  TYR  35           HD1      TYR  35  40.984  11.258   3.322
  230    HD2  TYR  35           HD2      TYR  35  42.569  15.208   3.900
  231    HE1  TYR  35           HE1      TYR  35  42.693  10.346   4.872
  232    HE2  TYR  35           HE2      TYR  35  44.278  14.296   5.449
  233    HH   TYR  35           HH       TYR  35  44.317  10.842   6.312
  234    H    MET  36           HN       MET  36  38.113  16.075   2.925
  235    HA   MET  36           HA       MET  36  39.225  17.316   5.318
  236    HB2  MET  36           HB2      MET  36  39.150  18.607   3.231
  237    HB3  MET  36           HB1      MET  36  37.396  18.428   3.175
  238    HG2  MET  36           HG2      MET  36  37.054  19.863   4.973
  239    HG3  MET  36           HG1      MET  36  38.656  19.567   5.648
  240    HE1  MET  36           HE1      MET  36  40.844  20.064   3.954
  241    HE2  MET  36           HE2      MET  36  40.552  20.982   5.430
  242    HE3  MET  36           HE3      MET  36  41.040  21.823   3.961
  243    H    LEU  37           HN       LEU  37  35.945  17.004   3.930
  244    HA   LEU  37           HA       LEU  37  34.658  17.625   6.406
  245    HB2  LEU  37           HB2      LEU  37  33.478  16.251   3.982
  246    HB3  LEU  37           HB1      LEU  37  32.598  17.105   5.249
  247    HG   LEU  37           HG       LEU  37  34.619  18.358   3.365
  248   HD11  LEU  37          HD11      LEU  37  32.611  17.868   2.142
  249   HD12  LEU  37          HD12      LEU  37  32.542  19.581   2.559
  250   HD13  LEU  37          HD13      LEU  37  31.594  18.411   3.476
  251   HD21  LEU  37          HD21      LEU  37  33.063  19.345   5.738
  252   HD22  LEU  37          HD22      LEU  37  33.407  20.457   4.413
  253   HD23  LEU  37          HD23      LEU  37  34.733  19.684   5.282
  254    H    VAL  38           HN       VAL  38  36.529  15.552   6.799
  255    HA   VAL  38           HA       VAL  38  34.727  13.452   7.783
  256    HB   VAL  38           HB       VAL  38  37.093  13.054   5.967
  257   HG11  VAL  38          HG11      VAL  38  37.691  11.598   7.719
  258   HG12  VAL  38          HG12      VAL  38  36.743  10.566   6.649
  259   HG13  VAL  38          HG13      VAL  38  36.011  11.230   8.109
  260   HG21  VAL  38          HG21      VAL  38  35.553  11.642   4.762
  261   HG22  VAL  38          HG22      VAL  38  34.702  13.144   5.124
  262   HG23  VAL  38          HG23      VAL  38  34.385  11.697   6.083
  263    H    PHE  39           HN       PHE  39  37.653  15.294   7.982
  264    HA   PHE  39           HA       PHE  39  38.617  13.853  10.329
  265    HB2  PHE  39           HB2      PHE  39  40.247  14.675   8.685
  266    HB3  PHE  39           HB1      PHE  39  39.685  16.326   8.944
  267    HD1  PHE  39           HD1      PHE  39  41.163  13.381  10.705
  268    HD2  PHE  39           HD2      PHE  39  40.543  17.631  10.715
  269    HE1  PHE  39           HE1      PHE  39  42.696  13.600  12.643
  270    HE2  PHE  39           HE2      PHE  39  42.074  17.850  12.653
  271    HZ   PHE  39           HZ       PHE  39  43.151  15.835  13.617
  272    H    LEU  40           HN       LEU  40  37.153  16.954   9.486
  273    HA   LEU  40           HA       LEU  40  37.044  17.675  12.343
  274    HB2  LEU  40           HB2      LEU  40  36.500  19.936  11.555
  275    HB3  LEU  40           HB1      LEU  40  38.001  19.364  10.827
  276    HG   LEU  40           HG       LEU  40  36.034  18.469   9.072
  277   HD11  LEU  40          HD11      LEU  40  35.433  21.316   9.932
  278   HD12  LEU  40          HD12      LEU  40  34.398  19.923  10.247
  279   HD13  LEU  40          HD13      LEU  40  34.678  20.457   8.589
  280   HD21  LEU  40          HD21      LEU  40  38.218  19.374   8.439
  281   HD22  LEU  40          HD22      LEU  40  37.742  20.977   9.002
  282   HD23  LEU  40          HD23      LEU  40  36.950  20.264   7.597
  283    H    LEU  41           HN       LEU  41  35.214  16.110  10.096
  284    HA   LEU  41           HA       LEU  41  32.744  16.720  11.563
  285    HB2  LEU  41           HB2      LEU  41  33.286  17.501   8.832
  286    HB3  LEU  41           HB1      LEU  41  31.934  16.371   8.898
  287    HG   LEU  41           HG       LEU  41  32.168  18.814  10.673
  288   HD11  LEU  41          HD11      LEU  41  31.966  19.421   8.265
  289   HD12  LEU  41          HD12      LEU  41  30.529  19.861   9.189
  290   HD13  LEU  41          HD13      LEU  41  30.513  18.427   8.161
  291   HD21  LEU  41          HD21      LEU  41  30.340  17.991  11.705
  292   HD22  LEU  41          HD22      LEU  41  30.543  16.504  10.780
  293   HD23  LEU  41          HD23      LEU  41  29.510  17.794  10.161
  294    H    GLY  42           HN       GLY  42  34.832  14.469  11.030
  295    HA2  GLY  42           HA2      GLY  42  32.814  12.340  10.847
  296    HA3  GLY  42           HA1      GLY  42  34.186  12.281   9.745
  297    H    THR  43           HN       THR  43  34.932  13.691  12.741
  298    HA   THR  43           HA       THR  43  35.580  11.238  14.131
  299    HB   THR  43           HB       THR  43  37.696  12.894  12.780
  300    HG1  THR  43           HG1      THR  43  38.370  10.445  12.821
  301   HG21  THR  43          HG21      THR  43  38.541  12.949  14.964
  302   HG22  THR  43          HG22      THR  43  39.261  11.477  14.312
  303   HG23  THR  43          HG23      THR  43  37.855  11.376  15.371
  304    H    THR  44           HN       THR  44  36.102  14.738  13.869
  305    HA   THR  44           HA       THR  44  36.608  15.082  16.678
  306    HB   THR  44           HB       THR  44  36.115  16.953  14.373
  307    HG1  THR  44           HG1      THR  44  38.191  16.731  14.402
  308   HG21  THR  44          HG21      THR  44  36.107  17.543  17.325
  309   HG22  THR  44          HG22      THR  44  35.018  18.146  16.075
  310   HG23  THR  44          HG23      THR  44  36.673  18.749  16.167
  311    H    GLY  45           HN       GLY  45  33.799  14.987  14.643
  312    HA2  GLY  45           HA2      GLY  45  31.907  16.467  15.962
  313    HA3  GLY  45           HA1      GLY  45  31.559  14.915  15.208
  314    H    ASN  46           HN       ASN  46  33.250  13.344  16.920
  315    HA   ASN  46           HA       ASN  46  32.031  13.706  19.577
  316    HB2  ASN  46           HB2      ASN  46  30.965  11.695  19.599
  317    HB3  ASN  46           HB1      ASN  46  30.935  11.940  17.854
  318   HD21  ASN  46          HD21      ASN  46  33.163  11.139  16.778
  319   HD22  ASN  46          HD22      ASN  46  33.699   9.622  17.321
  320    H    GLY  47           HN       GLY  47  34.769  13.495  17.878
  321    HA2  GLY  47           HA2      GLY  47  36.263  11.571  19.417
  322    HA3  GLY  47           HA1      GLY  47  36.922  12.730  18.266
  323    H    LEU  48           HN       LEU  48  34.830  13.847  20.797
  324    HA   LEU  48           HA       LEU  48  37.120  15.227  22.034
  325    HB2  LEU  48           HB2      LEU  48  34.178  15.798  22.433
  326    HB3  LEU  48           HB1      LEU  48  35.543  16.830  22.864
  327    HG   LEU  48           HG       LEU  48  34.762  16.020  20.047
  328   HD11  LEU  48          HD11      LEU  48  34.476  18.612  19.948
  329   HD12  LEU  48          HD12      LEU  48  34.365  18.504  21.705
  330   HD13  LEU  48          HD13      LEU  48  33.199  17.651  20.693
  331   HD21  LEU  48          HD21      LEU  48  36.500  17.955  19.626
  332   HD22  LEU  48          HD22      LEU  48  37.078  16.317  19.934
  333   HD23  LEU  48          HD23      LEU  48  37.087  17.515  21.230
  334    H    VAL  49           HN       VAL  49  35.249  12.525  22.482
  335    HA   VAL  49           HA       VAL  49  35.191  12.701  25.409
  336    HB   VAL  49           HB       VAL  49  34.149  10.579  23.518
  337   HG11  VAL  49          HG11      VAL  49  34.469   9.384  25.481
  338   HG12  VAL  49          HG12      VAL  49  32.867  10.060  25.781
  339   HG13  VAL  49          HG13      VAL  49  34.291  10.811  26.501
  340   HG21  VAL  49          HG21      VAL  49  32.314  11.876  23.352
  341   HG22  VAL  49          HG22      VAL  49  33.137  13.129  24.283
  342   HG23  VAL  49          HG23      VAL  49  32.164  11.912  25.109
  343    H    LEU  50           HN       LEU  50  37.355  11.840  23.069
  344    HA   LEU  50           HA       LEU  50  38.741   9.978  24.899
  345    HB2  LEU  50           HB2      LEU  50  39.578   8.755  22.915
  346    HB3  LEU  50           HB1      LEU  50  37.821   8.669  23.053
  347    HG   LEU  50           HG       LEU  50  38.285  10.995  21.572
  348   HD11  LEU  50          HD11      LEU  50  40.652  10.118  21.322
  349   HD12  LEU  50          HD12      LEU  50  39.794  10.374  19.803
  350   HD13  LEU  50          HD13      LEU  50  39.974   8.744  20.452
  351   HD21  LEU  50          HD21      LEU  50  36.442   9.502  21.150
  352   HD22  LEU  50          HD22      LEU  50  37.534   8.167  20.776
  353   HD23  LEU  50          HD23      LEU  50  37.412   9.541  19.678
  354    H    TRP  51           HN       TRP  51  38.907  12.520  22.497
  355    HA   TRP  51           HA       TRP  51  41.693  12.696  22.185
  356    HB2  TRP  51           HB2      TRP  51  40.439  13.969  20.668
  357    HB3  TRP  51           HB1      TRP  51  39.450  14.685  21.941
  358    HD1  TRP  51           HD1      TRP  51  43.219  14.606  21.031
  359    HE1  TRP  51           HE1      TRP  51  44.189  16.957  21.461
  360    HE3  TRP  51           HE3      TRP  51  39.052  16.973  22.796
  361    HZ2  TRP  51           HZ2      TRP  51  43.312  19.503  22.426
  362    HZ3  TRP  51           HZ3      TRP  51  39.147  19.358  23.462
  363    HH2  TRP  51           HH2      TRP  51  41.271  20.625  23.279
  364    H    THR  52           HN       THR  52  39.768  15.043  24.046
  365    HA   THR  52           HA       THR  52  41.818  16.145  25.520
  366    HB   THR  52           HB       THR  52  39.873  17.306  25.867
  367    HG1  THR  52           HG1      THR  52  39.726  15.438  27.993
  368   HG21  THR  52          HG21      THR  52  38.600  14.588  25.806
  369   HG22  THR  52          HG22      THR  52  38.264  15.996  24.800
  370   HG23  THR  52          HG23      THR  52  37.708  15.955  26.473
  371    H    VAL  53           HN       VAL  53  39.787  13.360  26.422
  372    HA   VAL  53           HA       VAL  53  40.827  12.807  28.925
  373    HB   VAL  53           HB       VAL  53  40.156  10.661  26.911
  374   HG11  VAL  53          HG11      VAL  53  39.286  10.646  29.760
  375   HG12  VAL  53          HG12      VAL  53  41.006  10.403  29.451
  376   HG13  VAL  53          HG13      VAL  53  39.818   9.309  28.740
  377   HG21  VAL  53          HG21      VAL  53  38.358  12.217  26.700
  378   HG22  VAL  53          HG22      VAL  53  38.355  12.561  28.430
  379   HG23  VAL  53          HG23      VAL  53  37.787  10.999  27.840
  380    H    PHE  54           HN       PHE  54  41.953  11.462  25.813
  381    HA   PHE  54           HA       PHE  54  44.071   9.941  26.664
  382    HB2  PHE  54           HB2      PHE  54  43.276  10.249  24.287
  383    HB3  PHE  54           HB1      PHE  54  44.199  11.751  24.247
  384    HD1  PHE  54           HD1      PHE  54  44.540   8.096  24.972
  385    HD2  PHE  54           HD2      PHE  54  46.501  11.722  23.760
  386    HE1  PHE  54           HE1      PHE  54  46.607   6.816  24.484
  387    HE2  PHE  54           HE2      PHE  54  48.567  10.440  23.272
  388    HZ   PHE  54           HZ       PHE  54  48.620   7.988  23.634
  389    H    ARG  55           HN       ARG  55  43.816  13.416  26.598
  390    HA   ARG  55           HA       ARG  55  46.664  13.763  27.172
  391    HB2  ARG  55           HB2      ARG  55  44.436  15.789  26.851
  392    HB3  ARG  55           HB1      ARG  55  46.141  16.177  27.077
  393    HG2  ARG  55           HG2      ARG  55  46.728  15.476  24.957
  394    HG3  ARG  55           HG1      ARG  55  45.427  14.289  24.875
  395    HD2  ARG  55           HD2      ARG  55  43.831  15.876  24.275
  396    HD3  ARG  55           HD1      ARG  55  44.742  17.207  24.982
  397    HE   ARG  55           HE       ARG  55  45.090  16.088  22.321
  398   HH11  ARG  55          HH21      ARG  55  46.398  17.967  24.916
  399   HH12  ARG  55          HH22      ARG  55  47.508  18.837  23.910
  400   HH21  ARG  55          HH11      ARG  55  46.544  17.224  20.995
  401   HH22  ARG  55          HH12      ARG  55  47.591  18.416  21.690
  402    H    LYS  56           HN       LYS  56  43.595  14.859  28.641
  403    HA   LYS  56           HA       LYS  56  44.565  15.758  31.059
  404    HB2  LYS  56           HB2      LYS  56  41.974  14.273  30.560
  405    HB3  LYS  56           HB1      LYS  56  42.328  15.257  31.981
  406    HG2  LYS  56           HG2      LYS  56  42.855  16.644  29.447
  407    HG3  LYS  56           HG1      LYS  56  41.163  16.192  29.660
  408    HD2  LYS  56           HD2      LYS  56  41.124  17.286  31.857
  409    HD3  LYS  56           HD1      LYS  56  42.831  17.704  31.692
  410    HE2  LYS  56           HE2      LYS  56  42.422  19.292  30.035
  411    HE3  LYS  56           HE1      LYS  56  40.899  18.544  29.553
  412    HZ1  LYS  56           HZ1      LYS  56  39.903  19.276  31.607
  413    HZ2  LYS  56           HZ2      LYS  56  40.570  20.610  30.793
  414    HZ3  LYS  56           HZ3      LYS  56  41.374  19.939  32.131
  415    H    LYS  57           HN       LYS  57  44.343  12.506  29.909
  416    HA   LYS  57           HA       LYS  57  44.402  11.190  32.434
  417    HB2  LYS  57           HB2      LYS  57  43.683  10.143  30.264
  418    HB3  LYS  57           HB1      LYS  57  45.380  10.121  29.781
  419    HG2  LYS  57           HG2      LYS  57  45.328   9.036  32.380
  420    HG3  LYS  57           HG1      LYS  57  43.964   8.302  31.536
  421    HD2  LYS  57           HD2      LYS  57  46.810   8.403  30.491
  422    HD3  LYS  57           HD1      LYS  57  46.044   6.991  31.218
  423    HE2  LYS  57           HE2      LYS  57  45.228   6.447  29.193
  424    HE3  LYS  57           HE1      LYS  57  44.259   7.920  29.231
  425    HZ1  LYS  57           HZ1      LYS  57  47.038   8.326  28.565
  426    HZ2  LYS  57           HZ2      LYS  57  45.640   8.964  27.839
  427    HZ3  LYS  57           HZ3      LYS  57  46.179   7.407  27.429
  428    H    GLY  58           HN       GLY  58  46.302  13.275  32.413
  429    HA2  GLY  58           HA2      GLY  58  48.921  12.009  32.106
  430    HA3  GLY  58           HA1      GLY  58  48.618  13.701  32.489
  431    H    HIS  59           HN       HIS  59  47.295  10.821  34.077
  432    HA   HIS  59           HA       HIS  59  48.396  11.807  36.625
  433    HB2  HIS  59           HB2      HIS  59  46.118   9.947  35.951
  434    HB3  HIS  59           HB1      HIS  59  46.752  10.107  37.589
  435    HD2  HIS  59           HD2      HIS  59  45.918  13.019  34.988
  436    HE1  HIS  59           HE1      HIS  59  43.929  13.785  38.633
  437    HE2  HIS  59           HE2      HIS  59  44.393  14.682  36.303
  438    H    HIS  60           HN       HIS  60  47.431   8.499  35.990
  439    HA   HIS  60           HA       HIS  60  50.018   7.415  35.566
  440    HB2  HIS  60           HB2      HIS  60  49.499   8.156  38.247
  441    HB3  HIS  60           HB1      HIS  60  49.384   6.397  38.177
  442    HD2  HIS  60           HD2      HIS  60  51.789   5.244  36.748
  443    HE1  HIS  60           HE1      HIS  60  54.240   8.407  38.094
  444    HE2  HIS  60           HE2      HIS  60  54.241   6.084  37.069
  445    H    HIS  61           HN       HIS  61  49.888   5.286  34.999
  446    HA   HIS  61           HA       HIS  61  47.493   4.158  34.215
  447    HB2  HIS  61           HB2      HIS  61  49.589   3.288  33.394
  448    HB3  HIS  61           HB1      HIS  61  50.071   2.791  35.017
  449    HD2  HIS  61           HD2      HIS  61  46.519   2.009  33.428
  450    HE1  HIS  61           HE1      HIS  61  48.480  -1.636  34.255
  451    HE2  HIS  61           HE2      HIS  61  46.308  -0.593  33.453
  452    H    HIS  62           HN       HIS  62  49.382   3.049  37.038
  453    HA   HIS  62           HA       HIS  62  47.078   2.957  38.742
  454    HB2  HIS  62           HB2      HIS  62  46.407   0.987  37.667
  455    HB3  HIS  62           HB1      HIS  62  48.066   0.435  37.436
  456    HD2  HIS  62           HD2      HIS  62  48.855  -1.372  39.367
  457    HE1  HIS  62           HE1      HIS  62  46.009  -0.379  42.323
  458    HE2  HIS  62           HE2      HIS  62  47.918  -1.948  41.735
  459    H    HIS  63           HN       HIS  63  48.493   4.148  40.077
  460    HA   HIS  63           HA       HIS  63  50.156   2.505  41.773
  461    HB2  HIS  63           HB2      HIS  63  51.725   3.047  39.940
  462    HB3  HIS  63           HB1      HIS  63  51.429   4.765  40.210
  463    HD2  HIS  63           HD2      HIS  63  54.277   4.815  41.005
  464    HE1  HIS  63           HE1      HIS  63  53.498   3.064  44.766
  465    HE2  HIS  63           HE2      HIS  63  55.230   4.299  43.381
  466    H    HIS  64           HN       HIS  64  47.944   3.654  42.603
  467    HA   HIS  64           HA       HIS  64  47.891   6.313  43.377
  468    HB2  HIS  64           HB2      HIS  64  46.024   4.676  43.659
  469    HB3  HIS  64           HB1      HIS  64  46.892   3.983  45.029
  470    HD2  HIS  64           HD2      HIS  64  45.715   7.698  44.124
  471    HE1  HIS  64           HE1      HIS  64  45.252   7.039  48.269
  472    HE2  HIS  64           HE2      HIS  64  44.936   8.725  46.395
  Start of MODEL   29
    1    H1   MET   1           HT1      MET   1  76.452  45.209   6.812
    2    H2   MET   1           HT2      MET   1  75.847  46.594   7.586
    3    H3   MET   1           HT3      MET   1  75.970  46.550   5.893
    4    HA   MET   1           HA       MET   1  74.360  44.468   7.141
    5    HB2  MET   1           HB2      MET   1  73.496  47.369   6.925
    6    HB3  MET   1           HB1      MET   1  72.407  46.018   7.246
    7    HG2  MET   1           HG2      MET   1  74.776  46.122   9.003
    8    HG3  MET   1           HG1      MET   1  73.660  47.475   9.195
    9    HE1  MET   1           HE1      MET   1  72.477  45.464  12.174
   10    HE2  MET   1           HE2      MET   1  72.842  47.051  11.500
   11    HE3  MET   1           HE3      MET   1  74.114  45.836  11.612
   12    H    GLU   2           HN       GLU   2  75.801  44.539   4.752
   13    HA   GLU   2           HA       GLU   2  73.876  45.256   2.658
   14    HB2  GLU   2           HB2      GLU   2  76.308  45.866   2.449
   15    HB3  GLU   2           HB1      GLU   2  76.669  44.142   2.340
   16    HG2  GLU   2           HG2      GLU   2  75.176  43.959   0.378
   17    HG3  GLU   2           HG1      GLU   2  74.846  45.688   0.475
   18    H    GLU   3           HN       GLU   3  72.435  43.505   3.511
   19    HA   GLU   3           HA       GLU   3  73.062  40.783   3.436
   20    HB2  GLU   3           HB2      GLU   3  70.501  42.319   3.085
   21    HB3  GLU   3           HB1      GLU   3  70.528  40.565   2.904
   22    HG2  GLU   3           HG2      GLU   3  69.978  41.217   5.225
   23    HG3  GLU   3           HG1      GLU   3  71.503  40.334   5.150
   24    H    GLY   4           HN       GLY   4  72.308  39.171   1.844
   25    HA2  GLY   4           HA2      GLY   4  71.496  39.489  -0.723
   26    HA3  GLY   4           HA1      GLY   4  73.209  39.890  -0.810
   27    H    GLY   5           HN       GLY   5  73.710  37.968   1.470
   28    HA2  GLY   5           HA2      GLY   5  74.365  35.778   1.734
   29    HA3  GLY   5           HA1      GLY   5  72.978  35.350   0.738
   30    H    ASP   6           HN       ASP   6  76.300  35.270   0.926
   31    HA   ASP   6           HA       ASP   6  77.185  35.752  -1.683
   32    HB2  ASP   6           HB2      ASP   6  78.160  34.213   0.649
   33    HB3  ASP   6           HB1      ASP   6  78.813  33.731  -0.917
   34    H    PHE   7           HN       PHE   7  74.902  33.554  -0.704
   35    HA   PHE   7           HA       PHE   7  74.842  32.256  -3.263
   36    HB2  PHE   7           HB2      PHE   7  75.018  29.924  -2.212
   37    HB3  PHE   7           HB1      PHE   7  76.524  30.811  -2.439
   38    HD1  PHE   7           HD1      PHE   7  73.968  29.786   0.042
   39    HD2  PHE   7           HD2      PHE   7  77.813  31.602  -0.565
   40    HE1  PHE   7           HE1      PHE   7  74.418  29.648   2.477
   41    HE2  PHE   7           HE2      PHE   7  78.263  31.463   1.870
   42    HZ   PHE   7           HZ       PHE   7  76.565  30.487   3.391
   43    H    ASP   8           HN       ASP   8  73.120  33.819  -1.469
   44    HA   ASP   8           HA       ASP   8  71.199  32.388  -0.096
   45    HB2  ASP   8           HB2      ASP   8  71.479  35.017  -1.069
   46    HB3  ASP   8           HB1      ASP   8  69.924  34.440  -1.670
   47    H    ASN   9           HN       ASN   9  69.454  31.163  -0.611
   48    HA   ASN   9           HA       ASN   9  69.220  30.323  -3.413
   49    HB2  ASN   9           HB2      ASN   9  69.445  28.677  -1.470
   50    HB3  ASN   9           HB1      ASN   9  67.795  29.123  -1.040
   51   HD21  ASN   9          HD21      ASN   9  68.407  26.461  -1.860
   52   HD22  ASN   9          HD22      ASN   9  67.682  26.181  -3.369
   53    H    TYR  10           HN       TYR  10  68.179  32.913  -2.371
   54    HA   TYR  10           HA       TYR  10  66.349  34.241  -2.790
   55    HB2  TYR  10           HB2      TYR  10  64.825  31.962  -3.978
   56    HB3  TYR  10           HB1      TYR  10  64.913  33.645  -4.496
   57    HD1  TYR  10           HD2      TYR  10  67.770  34.177  -4.659
   58    HD2  TYR  10           HD1      TYR  10  65.589  30.646  -5.765
   59    HE1  TYR  10           HE2      TYR  10  69.549  33.588  -6.283
   60    HE2  TYR  10           HE1      TYR  10  67.369  30.057  -7.389
   61    HH   TYR  10           HH       TYR  10  70.389  31.833  -7.531
   62    H    TYR  11           HN       TYR  11  64.948  31.003  -2.237
   63    HA   TYR  11           HA       TYR  11  63.606  30.208  -0.542
   64    HB2  TYR  11           HB2      TYR  11  65.290  31.902   0.773
   65    HB3  TYR  11           HB1      TYR  11  63.725  32.637   1.125
   66    HD1  TYR  11           HD2      TYR  11  65.687  29.487   1.331
   67    HD2  TYR  11           HD1      TYR  11  62.148  31.576   2.579
   68    HE1  TYR  11           HE2      TYR  11  65.230  27.714   3.003
   69    HE2  TYR  11           HE1      TYR  11  61.690  29.803   4.251
   70    HH   TYR  11           HH       TYR  11  62.340  27.860   5.091
   71    H    GLY  12           HN       GLY  12  63.106  33.746  -0.552
   72    HA2  GLY  12           HA2      GLY  12  60.325  33.669  -0.221
   73    HA3  GLY  12           HA1      GLY  12  61.221  35.014  -0.921
   74    H    ALA  13           HN       ALA  13  62.312  33.346  -3.089
   75    HA   ALA  13           HA       ALA  13  60.668  33.912  -5.177
   76    HB1  ALA  13           HB1      ALA  13  62.735  33.064  -5.819
   77    HB2  ALA  13           HB2      ALA  13  61.664  31.719  -6.215
   78    HB3  ALA  13           HB3      ALA  13  62.619  31.680  -4.733
   79    H    ASP  14           HN       ASP  14  60.286  31.329  -2.864
   80    HA   ASP  14           HA       ASP  14  58.609  29.554  -4.120
   81    HB2  ASP  14           HB2      ASP  14  58.585  30.610  -1.295
   82    HB3  ASP  14           HB1      ASP  14  57.485  29.340  -1.828
   83    H    ASN  15           HN       ASN  15  58.034  32.866  -3.499
   84    HA   ASN  15           HA       ASN  15  55.176  32.795  -3.400
   85    HB2  ASN  15           HB2      ASN  15  57.067  34.708  -2.903
   86    HB3  ASN  15           HB1      ASN  15  56.429  35.238  -4.459
   87   HD21  ASN  15          HD21      ASN  15  54.200  35.944  -4.549
   88   HD22  ASN  15          HD22      ASN  15  53.278  36.184  -3.145
   89    H    GLN  16           HN       GLN  16  57.475  33.726  -5.969
   90    HA   GLN  16           HA       GLN  16  55.311  33.486  -7.943
   91    HB2  GLN  16           HB2      GLN  16  58.084  34.366  -8.644
   92    HB3  GLN  16           HB1      GLN  16  56.539  34.878  -9.326
   93    HG2  GLN  16           HG2      GLN  16  56.053  35.896  -7.012
   94    HG3  GLN  16           HG1      GLN  16  57.772  35.676  -6.688
   95   HE21  GLN  16          HE21      GLN  16  55.486  37.327  -8.892
   96   HE22  GLN  16          HE22      GLN  16  56.583  38.526  -9.382
   97    H    SER  17           HN       SER  17  56.115  31.067  -6.857
   98    HA   SER  17           HA       SER  17  57.199  29.755  -9.237
   99    HB2  SER  17           HB2      SER  17  58.395  29.444  -6.476
  100    HB3  SER  17           HB1      SER  17  58.752  28.389  -7.841
  101    HG   SER  17           HG       SER  17  59.296  30.445  -8.955
  102    H    GLU  18           HN       GLU  18  57.141  27.274  -8.841
  103    HA   GLU  18           HA       GLU  18  54.506  26.472  -8.469
  104    HB2  GLU  18           HB2      GLU  18  55.389  24.176  -8.364
  105    HB3  GLU  18           HB1      GLU  18  56.174  25.104  -9.642
  106    HG2  GLU  18           HG2      GLU  18  57.779  25.645  -7.473
  107    HG3  GLU  18           HG1      GLU  18  57.317  23.969  -7.182
  108    H    CYS  19           HN       CYS  19  53.795  27.502  -6.521
  109    HA   CYS  19           HA       CYS  19  54.889  26.441  -4.010
  110    HB2  CYS  19           HB2      CYS  19  54.354  28.949  -4.484
  111    HB3  CYS  19           HB1      CYS  19  52.684  28.471  -4.185
  112    HG   CYS  19           HG       CYS  19  54.736  27.662  -2.013
  113    H    GLU  20           HN       GLU  20  51.879  26.621  -5.865
  114    HA   GLU  20           HA       GLU  20  50.902  24.261  -4.434
  115    HB2  GLU  20           HB2      GLU  20  49.395  26.879  -4.601
  116    HB3  GLU  20           HB1      GLU  20  48.659  25.344  -4.140
  117    HG2  GLU  20           HG2      GLU  20  50.381  25.152  -2.314
  118    HG3  GLU  20           HG1      GLU  20  50.912  26.784  -2.715
  119    H    TYR  21           HN       TYR  21  51.818  24.009  -6.885
  120    HA   TYR  21           HA       TYR  21  49.382  23.750  -8.521
  121    HB2  TYR  21           HB2      TYR  21  52.016  24.927  -9.432
  122    HB3  TYR  21           HB1      TYR  21  50.729  24.424 -10.528
  123    HD1  TYR  21           HD1      TYR  21  51.553  26.725  -7.722
  124    HD2  TYR  21           HD2      TYR  21  48.798  25.777 -10.878
  125    HE1  TYR  21           HE1      TYR  21  50.404  28.895  -7.370
  126    HE2  TYR  21           HE2      TYR  21  47.649  27.946 -10.527
  127    HH   TYR  21           HH       TYR  21  48.934  30.469  -8.938
  128    H    THR  22           HN       THR  22  51.528  22.093  -6.932
  129    HA   THR  22           HA       THR  22  51.541  19.893  -8.853
  130    HB   THR  22           HB       THR  22  53.679  20.325  -9.448
  131    HG1  THR  22           HG1      THR  22  54.073  18.603  -8.117
  132   HG21  THR  22          HG21      THR  22  53.827  22.028  -6.951
  133   HG22  THR  22          HG22      THR  22  53.655  22.588  -8.613
  134   HG23  THR  22          HG23      THR  22  55.163  21.842  -8.086
  135    H    ASP  23           HN       ASP  23  52.639  20.980  -5.642
  136    HA   ASP  23           HA       ASP  23  52.517  18.350  -4.501
  137    HB2  ASP  23           HB2      ASP  23  52.891  21.123  -3.407
  138    HB3  ASP  23           HB1      ASP  23  52.622  19.763  -2.319
  139    H    TRP  24           HN       TRP  24  50.072  19.749  -5.775
  140    HA   TRP  24           HA       TRP  24  48.197  18.895  -3.684
  141    HB2  TRP  24           HB2      TRP  24  47.044  20.879  -3.544
  142    HB3  TRP  24           HB1      TRP  24  48.663  21.512  -3.836
  143    HD1  TRP  24           HD1      TRP  24  49.259  22.127  -6.438
  144    HE1  TRP  24           HE1      TRP  24  47.723  23.039  -8.299
  145    HE3  TRP  24           HE3      TRP  24  44.696  20.923  -4.485
  146    HZ2  TRP  24           HZ2      TRP  24  44.929  23.231  -8.881
  147    HZ3  TRP  24           HZ3      TRP  24  42.617  21.482  -5.712
  148    HH2  TRP  24           HH2      TRP  24  42.728  22.633  -7.905
  149    H    LYS  25           HN       LYS  25  49.208  18.036  -6.433
  150    HA   LYS  25           HA       LYS  25  47.470  18.326  -8.500
  151    HB2  LYS  25           HB2      LYS  25  49.437  16.460  -7.796
  152    HB3  LYS  25           HB1      LYS  25  47.994  15.500  -8.127
  153    HG2  LYS  25           HG2      LYS  25  49.151  15.777 -10.221
  154    HG3  LYS  25           HG1      LYS  25  47.728  16.817 -10.273
  155    HD2  LYS  25           HD2      LYS  25  49.738  18.389  -9.096
  156    HD3  LYS  25           HD1      LYS  25  50.529  17.550 -10.431
  157    HE2  LYS  25           HE2      LYS  25  48.055  19.288 -10.561
  158    HE3  LYS  25           HE1      LYS  25  49.611  19.577 -11.338
  159    HZ1  LYS  25           HZ1      LYS  25  49.058  18.280 -13.036
  160    HZ2  LYS  25           HZ2      LYS  25  47.468  18.288 -12.438
  161    HZ3  LYS  25           HZ3      LYS  25  48.530  17.027 -12.022
  162    H    SER  26           HN       SER  26  45.325  18.293  -8.592
  163    HA   SER  26           HA       SER  26  43.835  16.557  -6.736
  164    HB2  SER  26           HB2      SER  26  41.989  18.015  -7.017
  165    HB3  SER  26           HB1      SER  26  43.392  19.071  -6.888
  166    HG   SER  26           HG       SER  26  43.157  19.627  -8.917
  167    H    SER  27           HN       SER  27  43.996  14.592  -7.836
  168    HA   SER  27           HA       SER  27  43.462  14.263 -10.604
  169    HB2  SER  27           HB2      SER  27  44.684  12.564  -9.377
  170    HB3  SER  27           HB1      SER  27  43.313  12.299  -8.305
  171    HG   SER  27           HG       SER  27  43.226  11.977 -11.124
  172    H    GLY  28           HN       GLY  28  41.500  12.450  -8.354
  173    HA2  GLY  28           HA2      GLY  28  39.167  12.493  -9.838
  174    HA3  GLY  28           HA1      GLY  28  39.218  12.247  -8.094
  175    H    ALA  29           HN       ALA  29  40.456  14.930  -7.701
  176    HA   ALA  29           HA       ALA  29  39.857  17.152  -7.488
  177    HB1  ALA  29           HB1      ALA  29  38.464  18.130  -9.029
  178    HB2  ALA  29           HB2      ALA  29  37.302  16.805  -8.983
  179    HB3  ALA  29           HB3      ALA  29  38.809  16.626  -9.883
  180    H    LEU  30           HN       LEU  30  39.291  15.342  -5.510
  181    HA   LEU  30           HA       LEU  30  37.067  16.642  -4.200
  182    HB2  LEU  30           HB2      LEU  30  35.684  14.750  -3.845
  183    HB3  LEU  30           HB1      LEU  30  36.055  14.742  -5.568
  184    HG   LEU  30           HG       LEU  30  37.319  13.022  -3.411
  185   HD11  LEU  30          HD11      LEU  30  36.279  11.214  -4.503
  186   HD12  LEU  30          HD12      LEU  30  35.998  12.147  -5.974
  187   HD13  LEU  30          HD13      LEU  30  35.046  12.475  -4.526
  188   HD21  LEU  30          HD21      LEU  30  38.115  13.530  -6.286
  189   HD22  LEU  30          HD22      LEU  30  38.546  12.038  -5.453
  190   HD23  LEU  30          HD23      LEU  30  39.136  13.585  -4.849
  191    H    ILE  31           HN       ILE  31  40.056  15.927  -4.001
  192    HA   ILE  31           HA       ILE  31  40.312  14.304  -1.664
  193    HB   ILE  31           HB       ILE  31  42.427  16.295  -2.271
  194   HG12  ILE  31          HG12      ILE  31  41.388  14.254  -4.233
  195   HG13  ILE  31          HG11      ILE  31  41.900  15.916  -4.534
  196   HG21  ILE  31          HG21      ILE  31  42.437  14.234  -0.671
  197   HG22  ILE  31          HG22      ILE  31  43.841  14.510  -1.702
  198   HG23  ILE  31          HG23      ILE  31  42.644  13.294  -2.149
  199   HD11  ILE  31          HD11      ILE  31  43.599  13.478  -4.053
  200   HD12  ILE  31          HD12      ILE  31  44.238  15.089  -3.728
  201   HD13  ILE  31          HD13      ILE  31  43.708  14.661  -5.356
  202    HA   PRO  32           HA       PRO  32  40.519  18.444   0.643
  203    HB2  PRO  32           HB2      PRO  32  39.642  20.709  -0.624
  204    HB3  PRO  32           HB1      PRO  32  41.318  20.136  -0.684
  205    HG2  PRO  32           HG2      PRO  32  39.272  20.125  -2.768
  206    HG3  PRO  32           HG1      PRO  32  41.030  19.989  -2.908
  207    HD2  PRO  32           HD2      PRO  32  39.079  17.878  -3.047
  208    HD3  PRO  32           HD1      PRO  32  40.844  17.741  -3.187
  209    H    ALA  33           HN       ALA  33  37.987  17.061  -0.867
  210    HA   ALA  33           HA       ALA  33  35.939  18.554   0.658
  211    HB1  ALA  33           HB1      ALA  33  35.511  18.510  -1.752
  212    HB2  ALA  33           HB2      ALA  33  34.307  17.541  -0.901
  213    HB3  ALA  33           HB3      ALA  33  35.633  16.750  -1.756
  214    H    ILE  34           HN       ILE  34  37.453  15.472   0.094
  215    HA   ILE  34           HA       ILE  34  35.580  14.122   1.919
  216    HB   ILE  34           HB       ILE  34  37.548  13.206  -0.146
  217   HG12  ILE  34          HG12      ILE  34  35.671  11.862  -0.870
  218   HG13  ILE  34          HG11      ILE  34  34.777  12.227   0.604
  219   HG21  ILE  34          HG21      ILE  34  36.697  11.701   2.329
  220   HG22  ILE  34          HG22      ILE  34  38.312  11.851   1.632
  221   HG23  ILE  34          HG23      ILE  34  37.099  10.851   0.838
  222   HD11  ILE  34          HD11      ILE  34  34.358  14.443  -0.045
  223   HD12  ILE  34          HD12      ILE  34  34.223  13.567  -1.569
  224   HD13  ILE  34          HD13      ILE  34  35.696  14.458  -1.193
  225    H    TYR  35           HN       TYR  35  39.108  14.352   1.388
  226    HA   TYR  35           HA       TYR  35  39.833  13.299   3.905
  227    HB2  TYR  35           HB2      TYR  35  41.294  13.635   1.811
  228    HB3  TYR  35           HB1      TYR  35  41.500  15.292   2.380
  229    HD1  TYR  35           HD1      TYR  35  42.082  11.725   3.188
  230    HD2  TYR  35           HD2      TYR  35  42.814  15.799   4.339
  231    HE1  TYR  35           HE1      TYR  35  43.803  10.960   4.801
  232    HE2  TYR  35           HE2      TYR  35  44.535  15.034   5.952
  233    HH   TYR  35           HH       TYR  35  46.100  12.769   6.033
  234    H    MET  36           HN       MET  36  38.513  16.309   3.024
  235    HA   MET  36           HA       MET  36  39.596  17.721   5.346
  236    HB2  MET  36           HB2      MET  36  39.418  18.979   3.272
  237    HB3  MET  36           HB1      MET  36  37.699  18.604   3.158
  238    HG2  MET  36           HG2      MET  36  37.191  19.898   5.105
  239    HG3  MET  36           HG1      MET  36  38.896  20.050   5.530
  240    HE1  MET  36           HE1      MET  36  40.478  22.265   3.058
  241    HE2  MET  36           HE2      MET  36  40.577  20.847   4.098
  242    HE3  MET  36           HE3      MET  36  40.234  22.425   4.802
  243    H    LEU  37           HN       LEU  37  36.354  17.023   4.014
  244    HA   LEU  37           HA       LEU  37  35.015  17.674   6.453
  245    HB2  LEU  37           HB2      LEU  37  33.983  16.012   4.144
  246    HB3  LEU  37           HB1      LEU  37  33.020  16.854   5.357
  247    HG   LEU  37           HG       LEU  37  34.889  18.180   3.369
  248   HD11  LEU  37          HD11      LEU  37  32.800  17.233   2.379
  249   HD12  LEU  37          HD12      LEU  37  32.848  18.995   2.306
  250   HD13  LEU  37          HD13      LEU  37  31.860  18.189   3.524
  251   HD21  LEU  37          HD21      LEU  37  34.862  19.643   5.188
  252   HD22  LEU  37          HD22      LEU  37  33.239  19.162   5.682
  253   HD23  LEU  37          HD23      LEU  37  33.460  20.207   4.279
  254    H    VAL  38           HN       VAL  38  37.097  15.845   6.976
  255    HA   VAL  38           HA       VAL  38  35.528  13.597   8.052
  256    HB   VAL  38           HB       VAL  38  38.015  13.447   6.374
  257   HG11  VAL  38          HG11      VAL  38  38.785  12.252   8.247
  258   HG12  VAL  38          HG12      VAL  38  38.044  10.994   7.257
  259   HG13  VAL  38          HG13      VAL  38  37.174  11.652   8.642
  260   HG21  VAL  38          HG21      VAL  38  36.783  11.723   5.238
  261   HG22  VAL  38          HG22      VAL  38  35.662  13.064   5.479
  262   HG23  VAL  38          HG23      VAL  38  35.582  11.648   6.528
  263    H    PHE  39           HN       PHE  39  38.503  15.507   8.141
  264    HA   PHE  39           HA       PHE  39  39.380  14.470  10.668
  265    HB2  PHE  39           HB2      PHE  39  41.028  15.386   9.169
  266    HB3  PHE  39           HB1      PHE  39  40.174  16.927   9.093
  267    HD1  PHE  39           HD2      PHE  39  41.882  14.602  11.470
  268    HD2  PHE  39           HD1      PHE  39  40.621  18.628  10.664
  269    HE1  PHE  39           HE2      PHE  39  43.124  15.391  13.466
  270    HE2  PHE  39           HE1      PHE  39  41.862  19.417  12.660
  271    HZ   PHE  39           HZ       PHE  39  43.113  17.798  14.061
  272    H    LEU  40           HN       LEU  40  37.030  16.744   9.711
  273    HA   LEU  40           HA       LEU  40  36.710  17.598  12.513
  274    HB2  LEU  40           HB2      LEU  40  36.247  19.890  11.809
  275    HB3  LEU  40           HB1      LEU  40  37.863  19.415  11.286
  276    HG   LEU  40           HG       LEU  40  36.247  18.611   9.176
  277   HD11  LEU  40          HD11      LEU  40  35.341  21.329  10.180
  278   HD12  LEU  40          HD12      LEU  40  34.354  19.867  10.156
  279   HD13  LEU  40          HD13      LEU  40  34.886  20.597   8.641
  280   HD21  LEU  40          HD21      LEU  40  37.755  21.220   9.551
  281   HD22  LEU  40          HD22      LEU  40  37.297  20.520   7.998
  282   HD23  LEU  40          HD23      LEU  40  38.461  19.690   9.031
  283    H    LEU  41           HN       LEU  41  35.414  16.040   9.970
  284    HA   LEU  41           HA       LEU  41  32.685  16.505  10.931
  285    HB2  LEU  41           HB2      LEU  41  33.242  17.969   8.868
  286    HB3  LEU  41           HB1      LEU  41  33.201  16.453   7.968
  287    HG   LEU  41           HG       LEU  41  30.916  16.157   9.332
  288   HD11  LEU  41          HD11      LEU  41  31.204  18.307  10.534
  289   HD12  LEU  41          HD12      LEU  41  29.759  18.318   9.523
  290   HD13  LEU  41          HD13      LEU  41  31.214  19.157   8.989
  291   HD21  LEU  41          HD21      LEU  41  31.002  16.050   6.930
  292   HD22  LEU  41          HD22      LEU  41  31.382  17.769   6.809
  293   HD23  LEU  41          HD23      LEU  41  29.780  17.254   7.338
  294    H    GLY  42           HN       GLY  42  34.612  14.332  11.192
  295    HA2  GLY  42           HA2      GLY  42  32.886  12.149  10.523
  296    HA3  GLY  42           HA1      GLY  42  34.306  12.190   9.481
  297    H    THR  43           HN       THR  43  34.519  13.393  12.731
  298    HA   THR  43           HA       THR  43  35.275  10.998  14.045
  299    HB   THR  43           HB       THR  43  37.451  12.597  12.728
  300    HG1  THR  43           HG1      THR  43  36.749   9.887  13.071
  301   HG21  THR  43          HG21      THR  43  37.531  11.164  15.374
  302   HG22  THR  43          HG22      THR  43  38.221  12.729  14.942
  303   HG23  THR  43          HG23      THR  43  38.968  11.244  14.353
  304    H    THR  44           HN       THR  44  35.392  14.477  13.769
  305    HA   THR  44           HA       THR  44  36.024  14.875  16.575
  306    HB   THR  44           HB       THR  44  35.425  16.698  14.258
  307    HG1  THR  44           HG1      THR  44  37.552  16.841  16.082
  308   HG21  THR  44          HG21      THR  44  35.881  18.537  16.039
  309   HG22  THR  44          HG22      THR  44  35.381  17.311  17.206
  310   HG23  THR  44          HG23      THR  44  34.262  17.843  15.949
  311    H    GLY  45           HN       GLY  45  33.215  14.631  14.548
  312    HA2  GLY  45           HA2      GLY  45  31.236  16.004  15.808
  313    HA3  GLY  45           HA1      GLY  45  30.992  14.385  15.159
  314    H    ASN  46           HN       ASN  46  33.001  13.272  17.067
  315    HA   ASN  46           HA       ASN  46  31.563  13.572  19.620
  316    HB2  ASN  46           HB2      ASN  46  30.986  11.371  19.795
  317    HB3  ASN  46           HB1      ASN  46  30.971  11.483  18.036
  318   HD21  ASN  46          HD21      ASN  46  33.212  10.981  16.980
  319   HD22  ASN  46          HD22      ASN  46  34.114   9.728  17.686
  320    H    GLY  47           HN       GLY  47  34.294  14.219  18.335
  321    HA2  GLY  47           HA2      GLY  47  36.067  12.725  20.139
  322    HA3  GLY  47           HA1      GLY  47  36.576  13.749  18.800
  323    H    LEU  48           HN       LEU  48  34.167  14.738  21.145
  324    HA   LEU  48           HA       LEU  48  35.898  16.965  21.937
  325    HB2  LEU  48           HB2      LEU  48  32.955  16.395  22.149
  326    HB3  LEU  48           HB1      LEU  48  33.689  17.648  23.145
  327    HG   LEU  48           HG       LEU  48  32.751  18.473  20.943
  328   HD11  LEU  48          HD11      LEU  48  34.268  20.137  21.055
  329   HD12  LEU  48          HD12      LEU  48  35.565  19.070  20.519
  330   HD13  LEU  48          HD13      LEU  48  35.151  19.162  22.229
  331   HD21  LEU  48          HD21      LEU  48  33.793  17.872  18.892
  332   HD22  LEU  48          HD22      LEU  48  33.550  16.346  19.742
  333   HD23  LEU  48          HD23      LEU  48  35.146  17.096  19.717
  334    H    VAL  49           HN       VAL  49  35.498  13.906  22.947
  335    HA   VAL  49           HA       VAL  49  35.498  14.528  25.822
  336    HB   VAL  49           HB       VAL  49  35.252  11.911  24.323
  337   HG11  VAL  49          HG11      VAL  49  36.292  11.203  26.272
  338   HG12  VAL  49          HG12      VAL  49  34.612  11.228  26.809
  339   HG13  VAL  49          HG13      VAL  49  35.687  12.566  27.214
  340   HG21  VAL  49          HG21      VAL  49  33.378  13.907  25.016
  341   HG22  VAL  49          HG22      VAL  49  33.137  12.600  26.176
  342   HG23  VAL  49          HG23      VAL  49  33.029  12.274  24.446
  343    H    LEU  50           HN       LEU  50  37.465  13.077  23.274
  344    HA   LEU  50           HA       LEU  50  39.661  12.641  25.175
  345    HB2  LEU  50           HB2      LEU  50  40.713  11.719  22.933
  346    HB3  LEU  50           HB1      LEU  50  39.551  10.757  23.845
  347    HG   LEU  50           HG       LEU  50  38.467  12.665  21.822
  348   HD11  LEU  50          HD11      LEU  50  39.794  10.024  21.138
  349   HD12  LEU  50          HD12      LEU  50  40.313  11.622  20.599
  350   HD13  LEU  50          HD13      LEU  50  38.779  10.957  20.038
  351   HD21  LEU  50          HD21      LEU  50  37.250  10.969  23.448
  352   HD22  LEU  50          HD22      LEU  50  37.686   9.791  22.211
  353   HD23  LEU  50          HD23      LEU  50  36.673  11.174  21.794
  354    H    TRP  51           HN       TRP  51  38.530  15.135  23.375
  355    HA   TRP  51           HA       TRP  51  41.059  16.067  22.290
  356    HB2  TRP  51           HB2      TRP  51  39.481  16.952  20.920
  357    HB3  TRP  51           HB1      TRP  51  38.230  16.893  22.161
  358    HD1  TRP  51           HD1      TRP  51  41.343  18.977  21.229
  359    HE1  TRP  51           HE1      TRP  51  40.977  21.389  22.065
  360    HE3  TRP  51           HE3      TRP  51  36.877  18.409  23.639
  361    HZ2  TRP  51           HZ2      TRP  51  39.046  22.880  23.558
  362    HZ3  TRP  51           HZ3      TRP  51  35.798  20.340  24.758
  363    HH2  TRP  51           HH2      TRP  51  36.876  22.572  24.720
  364    H    THR  52           HN       THR  52  38.774  17.160  24.802
  365    HA   THR  52           HA       THR  52  40.498  19.208  25.792
  366    HB   THR  52           HB       THR  52  38.237  19.542  26.289
  367    HG1  THR  52           HG1      THR  52  39.419  18.357  28.575
  368   HG21  THR  52          HG21      THR  52  37.186  17.497  27.751
  369   HG22  THR  52          HG22      THR  52  38.252  16.614  26.660
  370   HG23  THR  52          HG23      THR  52  36.993  17.660  26.005
  371    H    VAL  53           HN       VAL  53  39.879  15.855  26.681
  372    HA   VAL  53           HA       VAL  53  41.507  15.915  29.043
  373    HB   VAL  53           HB       VAL  53  40.423  13.620  27.395
  374   HG11  VAL  53          HG11      VAL  53  40.929  12.539  29.806
  375   HG12  VAL  53          HG12      VAL  53  42.222  13.738  29.768
  376   HG13  VAL  53          HG13      VAL  53  42.112  12.517  28.499
  377   HG21  VAL  53          HG21      VAL  53  38.525  13.930  28.576
  378   HG22  VAL  53          HG22      VAL  53  39.217  15.424  29.208
  379   HG23  VAL  53          HG23      VAL  53  39.423  13.913  30.094
  380    H    PHE  54           HN       PHE  54  42.121  15.592  25.675
  381    HA   PHE  54           HA       PHE  54  44.533  14.078  25.809
  382    HB2  PHE  54           HB2      PHE  54  43.833  14.079  23.643
  383    HB3  PHE  54           HB1      PHE  54  43.099  15.678  23.772
  384    HD1  PHE  54           HD2      PHE  54  46.372  13.908  23.515
  385    HD2  PHE  54           HD1      PHE  54  44.258  17.620  23.061
  386    HE1  PHE  54           HE2      PHE  54  48.369  14.914  22.443
  387    HE2  PHE  54           HE1      PHE  54  46.255  18.626  21.987
  388    HZ   PHE  54           HZ       PHE  54  48.311  17.273  21.678
  389    H    ARG  55           HN       ARG  55  44.080  17.557  25.121
  390    HA   ARG  55           HA       ARG  55  46.775  18.270  25.463
  391    HB2  ARG  55           HB2      ARG  55  45.942  20.578  25.658
  392    HB3  ARG  55           HB1      ARG  55  45.138  19.721  24.341
  393    HG2  ARG  55           HG2      ARG  55  43.477  19.119  26.413
  394    HG3  ARG  55           HG1      ARG  55  44.029  20.723  26.896
  395    HD2  ARG  55           HD2      ARG  55  42.572  19.916  24.386
  396    HD3  ARG  55           HD1      ARG  55  42.142  21.164  25.552
  397    HE   ARG  55           HE       ARG  55  43.858  21.488  23.293
  398   HH11  ARG  55          HH21      ARG  55  43.373  22.404  26.594
  399   HH12  ARG  55          HH22      ARG  55  44.179  23.930  26.433
  400   HH21  ARG  55          HH11      ARG  55  44.916  23.486  23.074
  401   HH22  ARG  55          HH12      ARG  55  45.051  24.542  24.440
  402    H    LYS  56           HN       LYS  56  44.739  17.029  27.736
  403    HA   LYS  56           HA       LYS  56  45.796  18.614  29.964
  404    HB2  LYS  56           HB2      LYS  56  43.404  18.234  29.988
  405    HB3  LYS  56           HB1      LYS  56  43.637  16.499  29.810
  406    HG2  LYS  56           HG2      LYS  56  45.135  17.580  32.075
  407    HG3  LYS  56           HG1      LYS  56  43.409  17.893  32.214
  408    HD2  LYS  56           HD2      LYS  56  44.423  15.147  31.481
  409    HD3  LYS  56           HD1      LYS  56  44.307  15.656  33.164
  410    HE2  LYS  56           HE2      LYS  56  41.943  16.072  31.369
  411    HE3  LYS  56           HE1      LYS  56  42.261  14.456  31.999
  412    HZ1  LYS  56           HZ1      LYS  56  42.108  15.220  34.199
  413    HZ2  LYS  56           HZ2      LYS  56  40.790  15.925  33.392
  414    HZ3  LYS  56           HZ3      LYS  56  42.172  16.851  33.736
  415    H    LYS  57           HN       LYS  57  45.257  15.148  29.277
  416    HA   LYS  57           HA       LYS  57  46.342  13.294  30.108
  417    HB2  LYS  57           HB2      LYS  57  47.626  14.064  28.095
  418    HB3  LYS  57           HB1      LYS  57  48.733  14.899  29.181
  419    HG2  LYS  57           HG2      LYS  57  48.391  12.216  30.136
  420    HG3  LYS  57           HG1      LYS  57  48.758  12.151  28.414
  421    HD2  LYS  57           HD2      LYS  57  50.352  13.797  30.392
  422    HD3  LYS  57           HD1      LYS  57  50.790  12.158  29.913
  423    HE2  LYS  57           HE2      LYS  57  50.210  13.874  27.617
  424    HE3  LYS  57           HE1      LYS  57  51.546  14.483  28.595
  425    HZ1  LYS  57           HZ1      LYS  57  52.118  12.827  26.795
  426    HZ2  LYS  57           HZ2      LYS  57  51.365  11.650  27.761
  427    HZ3  LYS  57           HZ3      LYS  57  52.721  12.490  28.344
  428    H    GLY  58           HN       GLY  58  46.061  15.662  32.004
  429    HA2  GLY  58           HA2      GLY  58  48.275  16.002  33.644
  430    HA3  GLY  58           HA1      GLY  58  46.606  16.073  34.203
  431    H    HIS  59           HN       HIS  59  49.465  14.115  33.935
  432    HA   HIS  59           HA       HIS  59  48.454  12.336  36.007
  433    HB2  HIS  59           HB2      HIS  59  48.730  11.537  33.184
  434    HB3  HIS  59           HB1      HIS  59  49.520  10.458  34.336
  435    HD2  HIS  59           HD2      HIS  59  45.967  11.246  33.080
  436    HE1  HIS  59           HE1      HIS  59  45.515   8.882  36.549
  437    HE2  HIS  59           HE2      HIS  59  44.301   9.874  34.551
  438    H    HIS  60           HN       HIS  60  51.093  12.130  33.620
  439    HA   HIS  60           HA       HIS  60  53.056  12.741  35.700
  440    HB2  HIS  60           HB2      HIS  60  52.757  10.317  35.903
  441    HB3  HIS  60           HB1      HIS  60  53.057  10.124  34.175
  442    HD2  HIS  60           HD2      HIS  60  55.074  10.786  37.467
  443    HE1  HIS  60           HE1      HIS  60  57.838  10.516  34.287
  444    HE2  HIS  60           HE2      HIS  60  57.599  10.662  36.810
  445    H    HIS  61           HN       HIS  61  53.194  14.610  34.238
  446    HA   HIS  61           HA       HIS  61  53.895  14.531  31.550
  447    HB2  HIS  61           HB2      HIS  61  54.494  16.471  33.766
  448    HB3  HIS  61           HB1      HIS  61  55.161  16.721  32.153
  449    HD2  HIS  61           HD2      HIS  61  52.966  16.672  30.079
  450    HE1  HIS  61           HE1      HIS  61  50.155  18.176  32.846
  451    HE2  HIS  61           HE2      HIS  61  50.613  17.762  30.383
  452    H    HIS  62           HN       HIS  62  55.701  14.051  30.437
  453    HA   HIS  62           HA       HIS  62  57.922  12.848  31.862
  454    HB2  HIS  62           HB2      HIS  62  58.692  12.874  29.250
  455    HB3  HIS  62           HB1      HIS  62  57.693  11.612  29.972
  456    HD2  HIS  62           HD2      HIS  62  55.492  11.223  28.369
  457    HE1  HIS  62           HE1      HIS  62  54.924  15.214  27.115
  458    HE2  HIS  62           HE2      HIS  62  54.024  12.846  26.945
  459    H    HIS  63           HN       HIS  63  57.723  15.357  29.322
  460    HA   HIS  63           HA       HIS  63  59.541  17.080  30.773
  461    HB2  HIS  63           HB2      HIS  63  60.407  15.650  28.257
  462    HB3  HIS  63           HB1      HIS  63  61.172  17.134  28.826
  463    HD2  HIS  63           HD2      HIS  63  61.375  13.361  29.491
  464    HE1  HIS  63           HE1      HIS  63  63.369  15.235  32.705
  465    HE2  HIS  63           HE2      HIS  63  62.923  13.010  31.564
  466    H    HIS  64           HN       HIS  64  56.919  17.483  29.969
  467    HA   HIS  64           HA       HIS  64  56.440  18.637  27.501
  468    HB2  HIS  64           HB2      HIS  64  54.563  19.684  28.476
  469    HB3  HIS  64           HB1      HIS  64  54.815  18.238  29.454
  470    HD2  HIS  64           HD2      HIS  64  56.747  19.025  31.764
  471    HE1  HIS  64           HE1      HIS  64  54.744  22.725  32.117
  472    HE2  HIS  64           HE2      HIS  64  56.332  21.116  33.273
  Start of MODEL   30
    1    H1   MET   1           HT1      MET   1  87.095  18.683 -28.906
    2    H2   MET   1           HT2      MET   1  87.401  17.326 -29.882
    3    H3   MET   1           HT3      MET   1  86.267  17.230 -28.622
    4    HA   MET   1           HA       MET   1  84.703  18.514 -29.729
    5    HB2  MET   1           HB2      MET   1  86.870  19.248 -31.719
    6    HB3  MET   1           HB1      MET   1  85.234  19.904 -31.645
    7    HG2  MET   1           HG2      MET   1  86.048  21.525 -30.307
    8    HG3  MET   1           HG1      MET   1  86.264  20.288 -29.069
    9    HE1  MET   1           HE1      MET   1  88.078  21.394 -27.898
   10    HE2  MET   1           HE2      MET   1  88.070  22.805 -28.952
   11    HE3  MET   1           HE3      MET   1  89.593  22.000 -28.580
   12    H    GLU   2           HN       GLU   2  84.507  18.439 -32.574
   13    HA   GLU   2           HA       GLU   2  83.724  16.948 -34.152
   14    HB2  GLU   2           HB2      GLU   2  86.392  16.725 -34.053
   15    HB3  GLU   2           HB1      GLU   2  85.969  15.083 -33.566
   16    HG2  GLU   2           HG2      GLU   2  85.173  16.519 -36.107
   17    HG3  GLU   2           HG1      GLU   2  86.137  15.051 -35.956
   18    H    GLU   3           HN       GLU   3  82.576  16.631 -31.622
   19    HA   GLU   3           HA       GLU   3  81.490  14.014 -31.841
   20    HB2  GLU   3           HB2      GLU   3  83.223  13.012 -30.722
   21    HB3  GLU   3           HB1      GLU   3  83.686  14.496 -29.895
   22    HG2  GLU   3           HG2      GLU   3  81.962  14.258 -28.274
   23    HG3  GLU   3           HG1      GLU   3  81.124  13.033 -29.232
   24    H    GLY   4           HN       GLY   4  79.447  14.167 -31.167
   25    HA2  GLY   4           HA2      GLY   4  78.721  16.417 -29.405
   26    HA3  GLY   4           HA1      GLY   4  77.627  15.586 -30.506
   27    H    GLY   5           HN       GLY   5  78.545  12.923 -29.739
   28    HA2  GLY   5           HA2      GLY   5  78.530  12.217 -27.114
   29    HA3  GLY   5           HA1      GLY   5  76.832  12.554 -27.442
   30    H    ASP   6           HN       ASP   6  79.313  10.256 -27.642
   31    HA   ASP   6           HA       ASP   6  78.544   8.677 -29.827
   32    HB2  ASP   6           HB2      ASP   6  80.527   8.527 -27.993
   33    HB3  ASP   6           HB1      ASP   6  79.462   7.253 -27.400
   34    H    PHE   7           HN       PHE   7  76.703   9.510 -27.215
   35    HA   PHE   7           HA       PHE   7  74.923   7.203 -27.640
   36    HB2  PHE   7           HB2      PHE   7  74.876   6.574 -25.465
   37    HB3  PHE   7           HB1      PHE   7  76.430   7.403 -25.367
   38    HD1  PHE   7           HD1      PHE   7  76.381   9.950 -24.857
   39    HD2  PHE   7           HD2      PHE   7  73.069   7.306 -24.153
   40    HE1  PHE   7           HE1      PHE   7  75.410  11.588 -23.267
   41    HE2  PHE   7           HE2      PHE   7  72.099   8.944 -22.564
   42    HZ   PHE   7           HZ       PHE   7  73.269  11.085 -22.121
   43    H    ASP   8           HN       ASP   8  75.233  10.322 -28.100
   44    HA   ASP   8           HA       ASP   8  73.218  11.706 -26.810
   45    HB2  ASP   8           HB2      ASP   8  73.051  13.031 -28.972
   46    HB3  ASP   8           HB1      ASP   8  74.664  12.906 -28.272
   47    H    ASN   9           HN       ASN   9  71.474  10.274 -26.419
   48    HA   ASN   9           HA       ASN   9  69.499  10.268 -28.545
   49    HB2  ASN   9           HB2      ASN   9  70.793   8.175 -28.939
   50    HB3  ASN   9           HB1      ASN   9  70.374   7.648 -27.309
   51   HD21  ASN   9          HD21      ASN   9  68.878   5.974 -27.713
   52   HD22  ASN   9          HD22      ASN   9  67.465   6.171 -28.633
   53    H    TYR  10           HN       TYR  10  69.841  11.449 -25.884
   54    HA   TYR  10           HA       TYR  10  68.641  11.816 -23.959
   55    HB2  TYR  10           HB2      TYR  10  66.479  10.554 -25.659
   56    HB3  TYR  10           HB1      TYR  10  66.192  11.391 -24.133
   57    HD1  TYR  10           HD1      TYR  10  66.688  13.822 -23.921
   58    HD2  TYR  10           HD2      TYR  10  66.981  11.763 -27.679
   59    HE1  TYR  10           HE1      TYR  10  66.684  15.997 -25.112
   60    HE2  TYR  10           HE2      TYR  10  66.977  13.937 -28.871
   61    HH   TYR  10           HH       TYR  10  65.939  16.477 -28.056
   62    H    TYR  11           HN       TYR  11  66.810   8.933 -24.832
   63    HA   TYR  11           HA       TYR  11  66.708   6.833 -23.885
   64    HB2  TYR  11           HB2      TYR  11  69.354   7.331 -23.799
   65    HB3  TYR  11           HB1      TYR  11  69.014   7.270 -22.070
   66    HD1  TYR  11           HD1      TYR  11  68.971   5.372 -25.233
   67    HD2  TYR  11           HD2      TYR  11  68.241   5.223 -21.003
   68    HE1  TYR  11           HE1      TYR  11  68.875   2.896 -25.336
   69    HE2  TYR  11           HE2      TYR  11  68.143   2.747 -21.106
   70    HH   TYR  11           HH       TYR  11  69.335   0.960 -23.463
   71    H    GLY  12           HN       GLY  12  65.653   5.997 -22.114
   72    HA2  GLY  12           HA2      GLY  12  64.241   6.168 -20.288
   73    HA3  GLY  12           HA1      GLY  12  65.705   6.726 -19.484
   74    H    ALA  13           HN       ALA  13  64.170   8.448 -22.129
   75    HA   ALA  13           HA       ALA  13  64.076  10.889 -20.665
   76    HB1  ALA  13           HB1      ALA  13  62.310  10.727 -22.998
   77    HB2  ALA  13           HB2      ALA  13  63.959  10.198 -23.329
   78    HB3  ALA  13           HB3      ALA  13  63.663  11.812 -22.683
   79    H    ASP  14           HN       ASP  14  61.523   8.676 -21.806
   80    HA   ASP  14           HA       ASP  14  59.299  10.002 -20.826
   81    HB2  ASP  14           HB2      ASP  14  58.430   8.198 -21.837
   82    HB3  ASP  14           HB1      ASP  14  59.940   7.304 -21.676
   83    H    ASN  15           HN       ASN  15  61.764   8.274 -19.094
   84    HA   ASN  15           HA       ASN  15  60.496   7.601 -16.723
   85    HB2  ASN  15           HB2      ASN  15  62.988   7.324 -17.512
   86    HB3  ASN  15           HB1      ASN  15  63.222   8.838 -16.638
   87   HD21  ASN  15          HD21      ASN  15  61.083   8.177 -14.638
   88   HD22  ASN  15          HD22      ASN  15  61.761   6.991 -13.630
   89    H    GLN  16           HN       GLN  16  61.615  10.744 -17.847
   90    HA   GLN  16           HA       GLN  16  60.728  11.981 -15.327
   91    HB2  GLN  16           HB2      GLN  16  62.179  13.309 -17.621
   92    HB3  GLN  16           HB1      GLN  16  61.991  13.908 -15.973
   93    HG2  GLN  16           HG2      GLN  16  63.253  11.869 -15.180
   94    HG3  GLN  16           HG1      GLN  16  63.590  11.497 -16.870
   95   HE21  GLN  16          HE21      GLN  16  64.362  13.771 -18.054
   96   HE22  GLN  16          HE22      GLN  16  65.633  14.535 -17.230
   97    H    SER  17           HN       SER  17  58.714  10.974 -16.991
   98    HA   SER  17           HA       SER  17  57.216  13.409 -17.488
   99    HB2  SER  17           HB2      SER  17  58.331  13.141 -19.639
  100    HB3  SER  17           HB1      SER  17  57.812  11.460 -19.728
  101    HG   SER  17           HG       SER  17  56.297  13.830 -19.910
  102    H    GLU  18           HN       GLU  18  55.076  12.394 -18.841
  103    HA   GLU  18           HA       GLU  18  53.450  11.274 -16.970
  104    HB2  GLU  18           HB2      GLU  18  52.046  10.443 -18.816
  105    HB3  GLU  18           HB1      GLU  18  52.645  12.068 -19.152
  106    HG2  GLU  18           HG2      GLU  18  54.651  10.505 -20.190
  107    HG3  GLU  18           HG1      GLU  18  53.222   9.533 -20.536
  108    H    CYS  19           HN       CYS  19  54.251   9.663 -15.685
  109    HA   CYS  19           HA       CYS  19  54.572   7.034 -16.974
  110    HB2  CYS  19           HB2      CYS  19  56.830   8.016 -16.517
  111    HB3  CYS  19           HB1      CYS  19  56.412   8.067 -14.804
  112    HG   CYS  19           HG       CYS  19  57.615   5.784 -15.252
  113    H    GLU  20           HN       GLU  20  52.226   7.611 -15.912
  114    HA   GLU  20           HA       GLU  20  50.669   6.960 -14.354
  115    HB2  GLU  20           HB2      GLU  20  52.800   5.058 -13.365
  116    HB3  GLU  20           HB1      GLU  20  51.051   4.885 -13.217
  117    HG2  GLU  20           HG2      GLU  20  51.504   5.249 -15.959
  118    HG3  GLU  20           HG1      GLU  20  52.782   4.155 -15.432
  119    H    TYR  21           HN       TYR  21  52.442   9.160 -13.725
  120    HA   TYR  21           HA       TYR  21  52.183   9.082 -10.794
  121    HB2  TYR  21           HB2      TYR  21  54.364   9.528 -10.373
  122    HB3  TYR  21           HB1      TYR  21  54.633   8.821 -11.967
  123    HD1  TYR  21           HD1      TYR  21  54.523  10.404 -14.007
  124    HD2  TYR  21           HD2      TYR  21  54.933  11.774  -9.958
  125    HE1  TYR  21           HE1      TYR  21  55.380  12.581 -14.830
  126    HE2  TYR  21           HE2      TYR  21  55.790  13.951 -10.781
  127    HH   TYR  21           HH       TYR  21  56.681  14.446 -14.075
  128    H    THR  22           HN       THR  22  51.040  10.412 -13.423
  129    HA   THR  22           HA       THR  22  50.396  12.916 -12.121
  130    HB   THR  22           HB       THR  22  52.549  13.460 -13.203
  131    HG1  THR  22           HG1      THR  22  50.273  14.549 -14.498
  132   HG21  THR  22          HG21      THR  22  53.019  13.006 -15.405
  133   HG22  THR  22          HG22      THR  22  51.335  13.166 -15.906
  134   HG23  THR  22          HG23      THR  22  51.882  11.691 -15.108
  135    H    ASP  23           HN       ASP  23  50.206  10.835 -14.961
  136    HA   ASP  23           HA       ASP  23  48.090  12.040 -16.317
  137    HB2  ASP  23           HB2      ASP  23  49.451   9.506 -16.360
  138    HB3  ASP  23           HB1      ASP  23  47.715   9.248 -16.521
  139    H    TRP  24           HN       TRP  24  48.087  10.858 -13.198
  140    HA   TRP  24           HA       TRP  24  45.144  10.806 -13.166
  141    HB2  TRP  24           HB2      TRP  24  45.029   8.809 -11.897
  142    HB3  TRP  24           HB1      TRP  24  46.142   8.450 -13.217
  143    HD1  TRP  24           HD1      TRP  24  48.808   8.605 -12.616
  144    HE1  TRP  24           HE1      TRP  24  50.025   8.070 -10.407
  145    HE3  TRP  24           HE3      TRP  24  44.869   8.786  -9.370
  146    HZ2  TRP  24           HZ2      TRP  24  49.410   7.760  -7.630
  147    HZ3  TRP  24           HZ3      TRP  24  45.212   8.368  -6.952
  148    HH2  TRP  24           HH2      TRP  24  47.476   7.855  -6.079
  149    H    LYS  25           HN       LYS  25  46.945  12.890 -12.422
  150    HA   LYS  25           HA       LYS  25  47.409  12.903  -9.608
  151    HB2  LYS  25           HB2      LYS  25  48.582  14.344 -11.328
  152    HB3  LYS  25           HB1      LYS  25  47.112  15.314 -11.403
  153    HG2  LYS  25           HG2      LYS  25  47.965  16.485  -9.667
  154    HG3  LYS  25           HG1      LYS  25  47.555  15.085  -8.678
  155    HD2  LYS  25           HD2      LYS  25  50.209  15.434 -10.110
  156    HD3  LYS  25           HD1      LYS  25  49.936  15.825  -8.414
  157    HE2  LYS  25           HE2      LYS  25  49.128  13.433  -8.109
  158    HE3  LYS  25           HE1      LYS  25  49.744  13.105  -9.727
  159    HZ1  LYS  25           HZ1      LYS  25  51.618  12.653  -8.598
  160    HZ2  LYS  25           HZ2      LYS  25  51.184  13.601  -7.257
  161    HZ3  LYS  25           HZ3      LYS  25  51.834  14.334  -8.645
  162    H    SER  26           HN       SER  26  45.534  12.404  -8.498
  163    HA   SER  26           HA       SER  26  43.693  13.047  -7.250
  164    HB2  SER  26           HB2      SER  26  43.033  15.244  -7.183
  165    HB3  SER  26           HB1      SER  26  44.606  15.457  -7.948
  166    HG   SER  26           HG       SER  26  43.656  15.865  -9.814
  167    H    SER  27           HN       SER  27  41.724  12.177  -7.483
  168    HA   SER  27           HA       SER  27  40.870  11.256 -10.052
  169    HB2  SER  27           HB2      SER  27  39.619  11.182  -7.308
  170    HB3  SER  27           HB1      SER  27  38.811  10.533  -8.733
  171    HG   SER  27           HG       SER  27  40.755   9.269  -9.058
  172    H    GLY  28           HN       GLY  28  40.984  14.255  -9.316
  173    HA2  GLY  28           HA2      GLY  28  39.462  15.524 -10.992
  174    HA3  GLY  28           HA1      GLY  28  38.191  14.984  -9.901
  175    H    ALA  29           HN       ALA  29  40.741  15.364  -7.928
  176    HA   ALA  29           HA       ALA  29  41.602  17.071  -6.620
  177    HB1  ALA  29           HB1      ALA  29  41.189  18.435  -8.880
  178    HB2  ALA  29           HB2      ALA  29  41.610  19.239  -7.367
  179    HB3  ALA  29           HB3      ALA  29  39.929  19.178  -7.895
  180    H    LEU  30           HN       LEU  30  39.062  15.564  -6.256
  181    HA   LEU  30           HA       LEU  30  37.551  17.461  -4.573
  182    HB2  LEU  30           HB2      LEU  30  36.824  14.726  -5.655
  183    HB3  LEU  30           HB1      LEU  30  35.814  15.652  -4.549
  184    HG   LEU  30           HG       LEU  30  36.332  17.513  -6.505
  185   HD11  LEU  30          HD11      LEU  30  36.228  16.505  -8.644
  186   HD12  LEU  30          HD12      LEU  30  35.779  14.936  -7.974
  187   HD13  LEU  30          HD13      LEU  30  37.421  15.545  -7.769
  188   HD21  LEU  30          HD21      LEU  30  34.075  15.488  -6.387
  189   HD22  LEU  30          HD22      LEU  30  34.020  17.023  -7.255
  190   HD23  LEU  30          HD23      LEU  30  34.146  17.008  -5.494
  191    H    ILE  31           HN       ILE  31  40.006  15.271  -4.339
  192    HA   ILE  31           HA       ILE  31  39.261  13.845  -1.989
  193    HB   ILE  31           HB       ILE  31  42.114  14.419  -2.763
  194   HG12  ILE  31          HG12      ILE  31  41.443  12.033  -3.987
  195   HG13  ILE  31          HG11      ILE  31  40.032  13.036  -4.318
  196   HG21  ILE  31          HG21      ILE  31  42.595  12.618  -1.458
  197   HG22  ILE  31          HG22      ILE  31  41.147  11.744  -1.960
  198   HG23  ILE  31          HG23      ILE  31  41.038  12.989  -0.716
  199   HD11  ILE  31          HD11      ILE  31  42.921  13.731  -4.926
  200   HD12  ILE  31          HD12      ILE  31  41.562  14.829  -5.156
  201   HD13  ILE  31          HD13      ILE  31  41.666  13.346  -6.102
  202    HA   PRO  32           HA       PRO  32  41.827  17.368   0.179
  203    HB2  PRO  32           HB2      PRO  32  40.989  19.747  -1.333
  204    HB3  PRO  32           HB1      PRO  32  42.614  19.250  -0.831
  205    HG2  PRO  32           HG2      PRO  32  41.786  19.193  -3.395
  206    HG3  PRO  32           HG1      PRO  32  42.987  18.069  -2.738
  207    HD2  PRO  32           HD2      PRO  32  40.097  17.592  -3.353
  208    HD3  PRO  32           HD1      PRO  32  41.483  16.494  -3.508
  209    H    ALA  33           HN       ALA  33  38.654  17.533  -1.194
  210    HA   ALA  33           HA       ALA  33  37.640  19.068   1.112
  211    HB1  ALA  33           HB1      ALA  33  37.031  19.926  -1.114
  212    HB2  ALA  33           HB2      ALA  33  35.608  19.381  -0.226
  213    HB3  ALA  33           HB3      ALA  33  36.287  18.376  -1.506
  214    H    ILE  34           HN       ILE  34  36.255  16.507  -0.938
  215    HA   ILE  34           HA       ILE  34  34.447  15.425   0.767
  216    HB   ILE  34           HB       ILE  34  36.206  14.190  -1.319
  217   HG12  ILE  34          HG12      ILE  34  34.053  13.853  -2.424
  218   HG13  ILE  34          HG11      ILE  34  33.196  14.378  -0.975
  219   HG21  ILE  34          HG21      ILE  34  34.464  12.730   0.668
  220   HG22  ILE  34          HG22      ILE  34  36.104  12.336   0.148
  221   HG23  ILE  34          HG23      ILE  34  34.747  12.085  -0.948
  222   HD11  ILE  34          HD11      ILE  34  35.202  16.160  -2.363
  223   HD12  ILE  34          HD12      ILE  34  33.954  16.615  -1.203
  224   HD13  ILE  34          HD13      ILE  34  33.504  16.127  -2.837
  225    H    TYR  35           HN       TYR  35  37.918  15.172   1.003
  226    HA   TYR  35           HA       TYR  35  37.812  13.106   3.047
  227    HB2  TYR  35           HB2      TYR  35  39.674  13.360   1.323
  228    HB3  TYR  35           HB1      TYR  35  40.213  14.755   2.259
  229    HD1  TYR  35           HD1      TYR  35  39.454  11.111   2.504
  230    HD2  TYR  35           HD2      TYR  35  41.471  14.479   4.248
  231    HE1  TYR  35           HE1      TYR  35  40.607   9.597   4.095
  232    HE2  TYR  35           HE2      TYR  35  42.624  12.966   5.838
  233    HH   TYR  35           HH       TYR  35  43.254  10.282   5.691
  234    H    MET  36           HN       MET  36  39.498  16.243   3.077
  235    HA   MET  36           HA       MET  36  39.762  16.608   5.755
  236    HB2  MET  36           HB2      MET  36  40.093  18.878   5.349
  237    HB3  MET  36           HB1      MET  36  40.409  18.164   3.770
  238    HG2  MET  36           HG2      MET  36  38.949  19.873   3.178
  239    HG3  MET  36           HG1      MET  36  37.817  18.548   3.419
  240    HE1  MET  36           HE1      MET  36  39.849  21.161   4.884
  241    HE2  MET  36           HE2      MET  36  39.463  20.990   6.593
  242    HE3  MET  36           HE3      MET  36  38.707  22.272   5.651
  243    H    LEU  37           HN       LEU  37  36.806  16.703   3.949
  244    HA   LEU  37           HA       LEU  37  35.245  18.110   5.897
  245    HB2  LEU  37           HB2      LEU  37  34.701  16.560   3.411
  246    HB3  LEU  37           HB1      LEU  37  33.369  16.774   4.547
  247    HG   LEU  37           HG       LEU  37  35.052  19.144   3.797
  248   HD11  LEU  37          HD11      LEU  37  34.522  18.415   1.618
  249   HD12  LEU  37          HD12      LEU  37  33.209  19.528   2.006
  250   HD13  LEU  37          HD13      LEU  37  32.950  17.786   2.114
  251   HD21  LEU  37          HD21      LEU  37  33.270  20.352   4.632
  252   HD22  LEU  37          HD22      LEU  37  33.049  18.869   5.560
  253   HD23  LEU  37          HD23      LEU  37  32.082  19.156   4.114
  254    H    VAL  38           HN       VAL  38  35.574  14.665   5.037
  255    HA   VAL  38           HA       VAL  38  33.829  13.631   6.967
  256    HB   VAL  38           HB       VAL  38  36.274  12.469   5.631
  257   HG11  VAL  38          HG11      VAL  38  35.087  10.274   6.502
  258   HG12  VAL  38          HG12      VAL  38  34.479  11.350   7.760
  259   HG13  VAL  38          HG13      VAL  38  36.217  11.141   7.541
  260   HG21  VAL  38          HG21      VAL  38  33.469  11.486   5.298
  261   HG22  VAL  38          HG22      VAL  38  34.778  11.556   4.119
  262   HG23  VAL  38          HG23      VAL  38  33.895  13.022   4.544
  263    H    PHE  39           HN       PHE  39  37.086  14.833   7.238
  264    HA   PHE  39           HA       PHE  39  37.813  13.603   9.679
  265    HB2  PHE  39           HB2      PHE  39  39.163  15.094   7.923
  266    HB3  PHE  39           HB1      PHE  39  38.768  16.360   9.086
  267    HD1  PHE  39           HD1      PHE  39  40.279  12.961   8.780
  268    HD2  PHE  39           HD2      PHE  39  39.927  16.531  11.142
  269    HE1  PHE  39           HE1      PHE  39  42.075  12.143  10.283
  270    HE2  PHE  39           HE2      PHE  39  41.722  15.713  12.645
  271    HZ   PHE  39           HZ       PHE  39  42.796  13.519  12.215
  272    H    LEU  40           HN       LEU  40  36.480  16.849   9.024
  273    HA   LEU  40           HA       LEU  40  36.171  17.546  11.761
  274    HB2  LEU  40           HB2      LEU  40  34.582  18.654   9.443
  275    HB3  LEU  40           HB1      LEU  40  34.961  19.450  10.970
  276    HG   LEU  40           HG       LEU  40  36.983  18.617   8.869
  277   HD11  LEU  40          HD11      LEU  40  35.968  20.529   7.985
  278   HD12  LEU  40          HD12      LEU  40  37.283  21.225   8.931
  279   HD13  LEU  40          HD13      LEU  40  35.642  21.213   9.577
  280   HD21  LEU  40          HD21      LEU  40  37.191  19.795  11.632
  281   HD22  LEU  40          HD22      LEU  40  38.415  20.171  10.421
  282   HD23  LEU  40          HD23      LEU  40  38.141  18.499  10.906
  283    H    LEU  41           HN       LEU  41  34.576  15.272   9.926
  284    HA   LEU  41           HA       LEU  41  32.314  15.252  11.814
  285    HB2  LEU  41           HB2      LEU  41  32.182  15.166   8.807
  286    HB3  LEU  41           HB1      LEU  41  30.910  14.454   9.800
  287    HG   LEU  41           HG       LEU  41  31.796  17.215  10.496
  288   HD11  LEU  41          HD11      LEU  41  31.634  17.389   8.074
  289   HD12  LEU  41          HD12      LEU  41  30.206  18.137   8.791
  290   HD13  LEU  41          HD13      LEU  41  30.096  16.526   8.081
  291   HD21  LEU  41          HD21      LEU  41  29.023  16.031  10.235
  292   HD22  LEU  41          HD22      LEU  41  29.517  17.431  11.187
  293   HD23  LEU  41          HD23      LEU  41  30.010  15.812  11.679
  294    H    GLY  42           HN       GLY  42  34.866  13.725  11.499
  295    HA2  GLY  42           HA2      GLY  42  33.651  11.042  11.527
  296    HA3  GLY  42           HA1      GLY  42  35.076  11.325  10.532
  297    H    THR  43           HN       THR  43  35.228  13.298  13.211
  298    HA   THR  43           HA       THR  43  36.234  11.433  15.148
  299    HB   THR  43           HB       THR  43  38.141  12.938  13.383
  300    HG1  THR  43           HG1      THR  43  37.496  10.402  13.920
  301   HG21  THR  43          HG21      THR  43  38.872  13.760  15.458
  302   HG22  THR  43          HG22      THR  43  39.842  12.301  15.248
  303   HG23  THR  43          HG23      THR  43  38.429  12.277  16.305
  304    H    THR  44           HN       THR  44  36.044  14.744  13.959
  305    HA   THR  44           HA       THR  44  36.567  15.970  16.498
  306    HB   THR  44           HB       THR  44  35.350  17.020  13.937
  307    HG1  THR  44           HG1      THR  44  37.763  16.441  14.547
  308   HG21  THR  44          HG21      THR  44  34.443  18.419  15.618
  309   HG22  THR  44          HG22      THR  44  35.885  19.272  15.066
  310   HG23  THR  44          HG23      THR  44  35.922  18.362  16.577
  311    H    GLY  45           HN       GLY  45  33.765  14.678  14.906
  312    HA2  GLY  45           HA2      GLY  45  31.611  15.961  15.946
  313    HA3  GLY  45           HA1      GLY  45  31.676  14.207  15.801
  314    H    ASN  46           HN       ASN  46  33.211  13.249  17.633
  315    HA   ASN  46           HA       ASN  46  32.119  14.277  20.175
  316    HB2  ASN  46           HB2      ASN  46  32.453  12.036  21.046
  317    HB3  ASN  46           HB1      ASN  46  31.548  11.943  19.536
  318   HD21  ASN  46          HD21      ASN  46  32.919  11.461  17.524
  319   HD22  ASN  46          HD22      ASN  46  34.275  10.458  17.718
  320    H    GLY  47           HN       GLY  47  33.987  15.908  19.781
  321    HA2  GLY  47           HA2      GLY  47  36.290  14.936  21.335
  322    HA3  GLY  47           HA1      GLY  47  36.587  15.761  19.808
  323    H    LEU  48           HN       LEU  48  34.416  17.643  20.058
  324    HA   LEU  48           HA       LEU  48  35.633  19.437  22.049
  325    HB2  LEU  48           HB2      LEU  48  34.719  21.255  20.776
  326    HB3  LEU  48           HB1      LEU  48  35.486  20.148  19.641
  327    HG   LEU  48           HG       LEU  48  32.920  19.145  19.786
  328   HD11  LEU  48          HD11      LEU  48  32.683  22.161  19.646
  329   HD12  LEU  48          HD12      LEU  48  32.349  21.248  21.118
  330   HD13  LEU  48          HD13      LEU  48  31.377  20.978  19.672
  331   HD21  LEU  48          HD21      LEU  48  32.649  20.308  17.560
  332   HD22  LEU  48          HD22      LEU  48  34.158  19.413  17.726
  333   HD23  LEU  48          HD23      LEU  48  34.152  21.168  17.894
  334    H    VAL  49           HN       VAL  49  32.785  17.654  21.361
  335    HA   VAL  49           HA       VAL  49  30.745  19.076  22.538
  336    HB   VAL  49           HB       VAL  49  29.733  16.892  23.082
  337   HG11  VAL  49          HG11      VAL  49  30.495  15.909  20.633
  338   HG12  VAL  49          HG12      VAL  49  30.935  17.611  20.486
  339   HG13  VAL  49          HG13      VAL  49  29.274  17.158  20.870
  340   HG21  VAL  49          HG21      VAL  49  31.582  15.643  23.934
  341   HG22  VAL  49          HG22      VAL  49  32.544  15.941  22.487
  342   HG23  VAL  49          HG23      VAL  49  31.152  14.860  22.413
  343    H    LEU  50           HN       LEU  50  33.615  18.103  24.019
  344    HA   LEU  50           HA       LEU  50  32.494  17.898  26.704
  345    HB2  LEU  50           HB2      LEU  50  35.372  17.853  25.764
  346    HB3  LEU  50           HB1      LEU  50  34.812  17.487  27.396
  347    HG   LEU  50           HG       LEU  50  33.237  15.884  25.714
  348   HD11  LEU  50          HD11      LEU  50  36.162  15.800  24.911
  349   HD12  LEU  50          HD12      LEU  50  34.829  16.327  23.883
  350   HD13  LEU  50          HD13      LEU  50  34.928  14.645  24.406
  351   HD21  LEU  50          HD21      LEU  50  35.726  15.220  27.321
  352   HD22  LEU  50          HD22      LEU  50  34.527  14.047  26.776
  353   HD23  LEU  50          HD23      LEU  50  34.079  15.287  27.947
  354    H    TRP  51           HN       TRP  51  32.906  20.410  24.756
  355    HA   TRP  51           HA       TRP  51  33.955  22.197  26.869
  356    HB2  TRP  51           HB2      TRP  51  35.394  22.751  25.203
  357    HB3  TRP  51           HB1      TRP  51  34.341  22.116  23.943
  358    HD1  TRP  51           HD1      TRP  51  34.043  25.038  26.479
  359    HE1  TRP  51           HE1      TRP  51  33.187  27.108  25.203
  360    HE3  TRP  51           HE3      TRP  51  33.650  23.084  21.777
  361    HZ2  TRP  51           HZ2      TRP  51  32.436  27.841  22.544
  362    HZ3  TRP  51           HZ3      TRP  51  32.862  24.488  19.894
  363    HH2  TRP  51           HH2      TRP  51  32.255  26.861  20.271
  364    H    THR  52           HN       THR  52  31.401  21.650  24.511
  365    HA   THR  52           HA       THR  52  30.005  24.098  25.178
  366    HB   THR  52           HB       THR  52  28.684  23.635  23.385
  367    HG1  THR  52           HG1      THR  52  27.527  21.882  23.350
  368   HG21  THR  52          HG21      THR  52  30.621  21.402  22.803
  369   HG22  THR  52          HG22      THR  52  31.139  23.086  22.791
  370   HG23  THR  52          HG23      THR  52  29.887  22.541  21.675
  371    H    VAL  53           HN       VAL  53  29.658  20.637  25.854
  372    HA   VAL  53           HA       VAL  53  27.211  20.698  27.201
  373    HB   VAL  53           HB       VAL  53  29.631  18.920  27.455
  374   HG11  VAL  53          HG11      VAL  53  27.071  18.932  29.050
  375   HG12  VAL  53          HG12      VAL  53  28.727  18.744  29.628
  376   HG13  VAL  53          HG13      VAL  53  27.944  17.429  28.750
  377   HG21  VAL  53          HG21      VAL  53  28.132  18.856  25.420
  378   HG22  VAL  53          HG22      VAL  53  26.810  18.376  26.484
  379   HG23  VAL  53          HG23      VAL  53  28.219  17.331  26.302
  380    H    PHE  54           HN       PHE  54  30.261  21.968  28.113
  381    HA   PHE  54           HA       PHE  54  29.670  21.988  30.966
  382    HB2  PHE  54           HB2      PHE  54  32.012  21.798  29.736
  383    HB3  PHE  54           HB1      PHE  54  31.916  23.558  29.782
  384    HD1  PHE  54           HD2      PHE  54  31.859  20.485  31.872
  385    HD2  PHE  54           HD1      PHE  54  32.181  24.768  31.827
  386    HE1  PHE  54           HE2      PHE  54  32.529  20.461  34.260
  387    HE2  PHE  54           HE1      PHE  54  32.850  24.744  34.215
  388    HZ   PHE  54           HZ       PHE  54  33.024  22.590  35.432
  389    H    ARG  55           HN       ARG  55  28.821  23.821  28.305
  390    HA   ARG  55           HA       ARG  55  28.708  26.354  29.790
  391    HB2  ARG  55           HB2      ARG  55  28.209  25.671  26.887
  392    HB3  ARG  55           HB1      ARG  55  27.955  27.277  27.573
  393    HG2  ARG  55           HG2      ARG  55  30.277  27.481  28.167
  394    HG3  ARG  55           HG1      ARG  55  30.583  25.788  27.774
  395    HD2  ARG  55           HD2      ARG  55  30.874  26.263  25.592
  396    HD3  ARG  55           HD1      ARG  55  29.378  27.190  25.531
  397    HE   ARG  55           HE       ARG  55  31.570  28.578  26.819
  398   HH11  ARG  55          HH21      ARG  55  29.951  27.807  23.859
  399   HH12  ARG  55          HH22      ARG  55  30.526  29.209  23.019
  400   HH21  ARG  55          HH11      ARG  55  32.327  30.419  25.725
  401   HH22  ARG  55          HH12      ARG  55  31.871  30.687  24.075
  402    H    LYS  56           HN       LYS  56  26.673  23.846  28.424
  403    HA   LYS  56           HA       LYS  56  24.215  25.307  28.899
  404    HB2  LYS  56           HB2      LYS  56  24.433  22.355  28.333
  405    HB3  LYS  56           HB1      LYS  56  23.110  23.455  27.944
  406    HG2  LYS  56           HG2      LYS  56  25.867  23.398  26.690
  407    HG3  LYS  56           HG1      LYS  56  24.330  23.037  25.902
  408    HD2  LYS  56           HD2      LYS  56  23.639  25.435  26.565
  409    HD3  LYS  56           HD1      LYS  56  25.356  25.707  26.864
  410    HE2  LYS  56           HE2      LYS  56  24.792  26.375  24.572
  411    HE3  LYS  56           HE1      LYS  56  25.856  24.969  24.546
  412    HZ1  LYS  56           HZ1      LYS  56  24.208  23.611  23.829
  413    HZ2  LYS  56           HZ2      LYS  56  23.639  25.062  23.152
  414    HZ3  LYS  56           HZ3      LYS  56  22.978  24.484  24.606
  415    H    LYS  57           HN       LYS  57  25.206  22.071  30.020
  416    HA   LYS  57           HA       LYS  57  24.580  20.935  31.935
  417    HB2  LYS  57           HB2      LYS  57  26.599  22.313  32.554
  418    HB3  LYS  57           HB1      LYS  57  25.494  23.508  33.232
  419    HG2  LYS  57           HG2      LYS  57  24.640  21.035  34.267
  420    HG3  LYS  57           HG1      LYS  57  26.400  21.011  34.383
  421    HD2  LYS  57           HD2      LYS  57  26.367  23.189  35.526
  422    HD3  LYS  57           HD1      LYS  57  24.609  23.240  35.392
  423    HE2  LYS  57           HE2      LYS  57  24.422  21.215  36.762
  424    HE3  LYS  57           HE1      LYS  57  26.179  21.101  36.861
  425    HZ1  LYS  57           HZ1      LYS  57  26.286  23.104  38.080
  426    HZ2  LYS  57           HZ2      LYS  57  25.063  22.174  38.805
  427    HZ3  LYS  57           HZ3      LYS  57  24.657  23.470  37.785
  428    H    GLY  58           HN       GLY  58  22.375  22.267  30.734
  429    HA2  GLY  58           HA2      GLY  58  20.884  23.551  32.887
  430    HA3  GLY  58           HA1      GLY  58  20.335  23.314  31.231
  431    H    HIS  59           HN       HIS  59  21.336  21.262  33.981
  432    HA   HIS  59           HA       HIS  59  18.808  19.782  33.726
  433    HB2  HIS  59           HB2      HIS  59  19.851  17.659  33.636
  434    HB3  HIS  59           HB1      HIS  59  20.720  18.638  32.455
  435    HD2  HIS  59           HD2      HIS  59  22.546  20.183  34.954
  436    HE1  HIS  59           HE1      HIS  59  24.105  16.282  35.376
  437    HE2  HIS  59           HE2      HIS  59  24.484  18.732  35.929
  438    H    HIS  60           HN       HIS  60  20.930  21.437  35.617
  439    HA   HIS  60           HA       HIS  60  19.631  20.681  38.047
  440    HB2  HIS  60           HB2      HIS  60  21.313  18.794  37.650
  441    HB3  HIS  60           HB1      HIS  60  22.568  19.998  37.944
  442    HD2  HIS  60           HD2      HIS  60  22.669  20.980  40.637
  443    HE1  HIS  60           HE1      HIS  60  19.926  18.169  42.185
  444    HE2  HIS  60           HE2      HIS  60  21.623  19.956  42.799
  445    H    HIS  61           HN       HIS  61  19.310  22.981  37.910
  446    HA   HIS  61           HA       HIS  61  21.694  24.646  38.328
  447    HB2  HIS  61           HB2      HIS  61  19.285  25.042  36.938
  448    HB3  HIS  61           HB1      HIS  61  19.194  26.096  38.348
  449    HD2  HIS  61           HD2      HIS  61  22.311  25.329  35.965
  450    HE1  HIS  61           HE1      HIS  61  21.866  29.505  36.401
  451    HE2  HIS  61           HE2      HIS  61  23.279  27.675  35.351
  452    H    HIS  62           HN       HIS  62  21.799  26.139  40.086
  453    HA   HIS  62           HA       HIS  62  21.089  25.044  42.590
  454    HB2  HIS  62           HB2      HIS  62  22.726  26.484  43.119
  455    HB3  HIS  62           HB1      HIS  62  22.523  27.360  41.602
  456    HD2  HIS  62           HD2      HIS  62  21.804  27.880  45.329
  457    HE1  HIS  62           HE1      HIS  62  19.508  30.768  43.278
  458    HE2  HIS  62           HE2      HIS  62  20.348  30.035  45.559
  459    H    HIS  63           HN       HIS  63  19.769  26.159  44.254
  460    HA   HIS  63           HA       HIS  63  17.734  28.009  43.538
  461    HB2  HIS  63           HB2      HIS  63  16.902  26.001  42.312
  462    HB3  HIS  63           HB1      HIS  63  16.812  25.144  43.850
  463    HD2  HIS  63           HD2      HIS  63  15.474  28.801  42.961
  464    HE1  HIS  63           HE1      HIS  63  12.366  26.562  44.739
  465    HE2  HIS  63           HE2      HIS  63  13.000  28.835  43.798
  466    H    HIS  64           HN       HIS  64  19.590  27.801  45.623
  467    HA   HIS  64           HA       HIS  64  19.803  27.712  47.927
  468    HB2  HIS  64           HB2      HIS  64  18.295  29.721  47.349
  469    HB3  HIS  64           HB1      HIS  64  16.967  28.725  47.945
  470    HD2  HIS  64           HD2      HIS  64  19.170  27.455  50.382
  471    HE1  HIS  64           HE1      HIS  64  18.653  31.376  51.861
  472    HE2  HIS  64           HE2      HIS  64  19.438  29.033  52.445
  Start of MODEL   31
    1    H1   MET   1           HT1      MET   1  71.225  41.262   5.085
    2    H2   MET   1           HT2      MET   1  72.708  41.204   4.257
    3    H3   MET   1           HT3      MET   1  72.675  41.511   5.928
    4    HA   MET   1           HA       MET   1  73.354  39.252   5.574
    5    HB2  MET   1           HB2      MET   1  71.790  39.865   7.476
    6    HB3  MET   1           HB1      MET   1  70.461  39.283   6.472
    7    HG2  MET   1           HG2      MET   1  71.576  37.073   6.304
    8    HG3  MET   1           HG1      MET   1  72.867  37.659   7.354
    9    HE1  MET   1           HE1      MET   1  69.215  37.245   6.791
   10    HE2  MET   1           HE2      MET   1  68.529  36.689   8.316
   11    HE3  MET   1           HE3      MET   1  69.602  35.632   7.402
   12    H    GLU   2           HN       GLU   2  73.278  39.376   3.079
   13    HA   GLU   2           HA       GLU   2  70.956  38.010   1.931
   14    HB2  GLU   2           HB2      GLU   2  73.452  39.083   0.592
   15    HB3  GLU   2           HB1      GLU   2  72.011  38.477  -0.227
   16    HG2  GLU   2           HG2      GLU   2  70.663  40.261   0.632
   17    HG3  GLU   2           HG1      GLU   2  71.931  40.767   1.748
   18    H    GLU   3           HN       GLU   3  71.100  35.901   2.636
   19    HA   GLU   3           HA       GLU   3  73.408  34.341   2.836
   20    HB2  GLU   3           HB2      GLU   3  70.507  33.675   2.398
   21    HB3  GLU   3           HB1      GLU   3  71.731  32.405   2.428
   22    HG2  GLU   3           HG2      GLU   3  71.827  34.418   4.620
   23    HG3  GLU   3           HG1      GLU   3  70.497  33.259   4.658
   24    H    GLY   4           HN       GLY   4  73.917  32.412   1.451
   25    HA2  GLY   4           HA2      GLY   4  74.821  33.110  -1.051
   26    HA3  GLY   4           HA1      GLY   4  74.474  31.450  -0.573
   27    H    GLY   5           HN       GLY   5  71.591  32.343  -0.103
   28    HA2  GLY   5           HA2      GLY   5  70.145  33.331  -2.097
   29    HA3  GLY   5           HA1      GLY   5  70.698  31.832  -2.838
   30    H    ASP   6           HN       ASP   6  67.970  32.670  -2.121
   31    HA   ASP   6           HA       ASP   6  66.895  31.582   0.156
   32    HB2  ASP   6           HB2      ASP   6  65.927  32.378  -2.399
   33    HB3  ASP   6           HB1      ASP   6  65.203  30.818  -2.012
   34    H    PHE   7           HN       PHE   7  67.719  29.868  -2.846
   35    HA   PHE   7           HA       PHE   7  67.788  27.359  -1.307
   36    HB2  PHE   7           HB2      PHE   7  66.580  26.156  -3.001
   37    HB3  PHE   7           HB1      PHE   7  65.605  27.555  -2.547
   38    HD1  PHE   7           HD1      PHE   7  65.845  29.694  -3.972
   39    HD2  PHE   7           HD2      PHE   7  67.224  25.830  -5.243
   40    HE1  PHE   7           HE1      PHE   7  65.866  30.476  -6.325
   41    HE2  PHE   7           HE2      PHE   7  67.245  26.611  -7.597
   42    HZ   PHE   7           HZ       PHE   7  66.566  28.935  -8.138
   43    H    ASP   8           HN       ASP   8  69.764  26.540  -1.508
   44    HA   ASP   8           HA       ASP   8  70.993  26.165  -4.069
   45    HB2  ASP   8           HB2      ASP   8  71.677  28.515  -2.492
   46    HB3  ASP   8           HB1      ASP   8  73.079  27.493  -2.804
   47    H    ASN   9           HN       ASN   9  73.502  25.555  -3.500
   48    HA   ASN   9           HA       ASN   9  74.757  23.797  -2.703
   49    HB2  ASN   9           HB2      ASN   9  74.619  25.608  -0.800
   50    HB3  ASN   9           HB1      ASN   9  73.678  24.369   0.028
   51   HD21  ASN   9          HD21      ASN   9  74.772  22.289   0.489
   52   HD22  ASN   9          HD22      ASN   9  76.468  22.201   0.510
   53    H    TYR  10           HN       TYR  10  71.647  23.488  -3.084
   54    HA   TYR  10           HA       TYR  10  71.624  20.684  -2.361
   55    HB2  TYR  10           HB2      TYR  10  69.656  22.602  -1.089
   56    HB3  TYR  10           HB1      TYR  10  69.540  20.843  -1.030
   57    HD1  TYR  10           HD2      TYR  10  71.728  19.600  -0.206
   58    HD2  TYR  10           HD1      TYR  10  70.792  23.708   0.633
   59    HE1  TYR  10           HE2      TYR  10  73.275  19.558   1.732
   60    HE2  TYR  10           HE1      TYR  10  72.339  23.666   2.568
   61    HH   TYR  10           HH       TYR  10  73.248  21.708   4.152
   62    H    TYR  11           HN       TYR  11  69.847  23.497  -3.567
   63    HA   TYR  11           HA       TYR  11  68.301  23.728  -5.253
   64    HB2  TYR  11           HB2      TYR  11  70.115  23.079  -6.688
   65    HB3  TYR  11           HB1      TYR  11  69.905  21.377  -6.274
   66    HD1  TYR  11           HD1      TYR  11  68.076  24.285  -7.764
   67    HD2  TYR  11           HD2      TYR  11  68.501  20.015  -7.574
   68    HE1  TYR  11           HE1      TYR  11  66.432  24.039  -9.604
   69    HE2  TYR  11           HE2      TYR  11  66.858  19.769  -9.415
   70    HH   TYR  11           HH       TYR  11  65.350  22.630 -10.924
   71    H    GLY  12           HN       GLY  12  68.467  20.269  -5.778
   72    HA2  GLY  12           HA2      GLY  12  65.655  19.937  -5.621
   73    HA3  GLY  12           HA1      GLY  12  66.843  18.639  -5.684
   74    H    ALA  13           HN       ALA  13  68.094  18.336  -3.564
   75    HA   ALA  13           HA       ALA  13  68.099  17.829  -1.322
   76    HB1  ALA  13           HB1      ALA  13  67.244  20.380  -1.371
   77    HB2  ALA  13           HB2      ALA  13  67.368  19.443   0.117
   78    HB3  ALA  13           HB3      ALA  13  65.810  19.609  -0.693
   79    H    ASP  14           HN       ASP  14  66.512  16.321  -3.165
   80    HA   ASP  14           HA       ASP  14  64.754  14.827  -3.265
   81    HB2  ASP  14           HB2      ASP  14  64.878  13.266  -1.583
   82    HB3  ASP  14           HB1      ASP  14  66.374  14.146  -1.271
   83    H    ASN  15           HN       ASN  15  64.186  17.725  -2.410
   84    HA   ASN  15           HA       ASN  15  61.800  17.459  -0.776
   85    HB2  ASN  15           HB2      ASN  15  63.033  19.451  -0.396
   86    HB3  ASN  15           HB1      ASN  15  63.166  19.788  -2.122
   87   HD21  ASN  15          HD21      ASN  15  60.207  18.765  -0.377
   88   HD22  ASN  15          HD22      ASN  15  59.338  20.185  -0.707
   89    H    GLN  16           HN       GLN  16  62.596  18.267  -4.143
   90    HA   GLN  16           HA       GLN  16  59.737  18.122  -4.831
   91    HB2  GLN  16           HB2      GLN  16  62.045  19.017  -6.568
   92    HB3  GLN  16           HB1      GLN  16  60.324  19.228  -6.891
   93    HG2  GLN  16           HG2      GLN  16  60.715  20.320  -4.339
   94    HG3  GLN  16           HG1      GLN  16  62.101  20.867  -5.281
   95   HE21  GLN  16          HE21      GLN  16  58.895  21.627  -4.551
   96   HE22  GLN  16          HE22      GLN  16  58.562  22.623  -5.886
   97    H    SER  17           HN       SER  17  60.963  15.698  -4.173
   98    HA   SER  17           HA       SER  17  60.829  14.329  -6.776
   99    HB2  SER  17           HB2      SER  17  63.118  14.191  -6.574
  100    HB3  SER  17           HB1      SER  17  63.077  14.277  -4.815
  101    HG   SER  17           HG       SER  17  63.338  12.137  -6.258
  102    H    GLU  18           HN       GLU  18  59.400  12.721  -6.719
  103    HA   GLU  18           HA       GLU  18  57.750  11.351  -5.843
  104    HB2  GLU  18           HB2      GLU  18  60.011  10.088  -5.730
  105    HB3  GLU  18           HB1      GLU  18  59.904  10.364  -3.991
  106    HG2  GLU  18           HG2      GLU  18  57.577   9.362  -4.080
  107    HG3  GLU  18           HG1      GLU  18  57.924   8.889  -5.742
  108    H    CYS  19           HN       CYS  19  57.461  13.804  -4.706
  109    HA   CYS  19           HA       CYS  19  57.262  13.389  -1.803
  110    HB2  CYS  19           HB2      CYS  19  58.290  15.490  -2.697
  111    HB3  CYS  19           HB1      CYS  19  56.726  15.903  -3.400
  112    HG   CYS  19           HG       CYS  19  57.337  15.801  -0.347
  113    H    GLU  20           HN       GLU  20  55.523  11.759  -3.012
  114    HA   GLU  20           HA       GLU  20  53.300  11.217  -3.286
  115    HB2  GLU  20           HB2      GLU  20  53.063  13.309  -1.109
  116    HB3  GLU  20           HB1      GLU  20  51.809  12.147  -1.542
  117    HG2  GLU  20           HG2      GLU  20  52.782  10.568  -0.273
  118    HG3  GLU  20           HG1      GLU  20  54.295  10.753  -1.159
  119    H    TYR  21           HN       TYR  21  54.240  13.103  -5.160
  120    HA   TYR  21           HA       TYR  21  51.976  14.972  -5.458
  121    HB2  TYR  21           HB2      TYR  21  53.353  16.329  -6.775
  122    HB3  TYR  21           HB1      TYR  21  54.463  15.723  -5.544
  123    HD1  TYR  21           HD1      TYR  21  55.783  13.563  -6.095
  124    HD2  TYR  21           HD2      TYR  21  53.800  15.962  -9.056
  125    HE1  TYR  21           HE1      TYR  21  57.192  12.545  -7.863
  126    HE2  TYR  21           HE2      TYR  21  55.209  14.944 -10.824
  127    HH   TYR  21           HH       TYR  21  57.791  13.721 -10.638
  128    H    THR  22           HN       THR  22  52.217  11.971  -6.111
  129    HA   THR  22           HA       THR  22  51.028  12.206  -8.790
  130    HB   THR  22           HB       THR  22  52.422  10.674  -9.796
  131    HG1  THR  22           HG1      THR  22  52.003   9.174  -7.974
  132   HG21  THR  22          HG21      THR  22  53.750  12.660  -9.021
  133   HG22  THR  22          HG22      THR  22  54.720  11.204  -9.245
  134   HG23  THR  22          HG23      THR  22  54.255  11.713  -7.621
  135    H    ASP  23           HN       ASP  23  51.610  10.227  -5.915
  136    HA   ASP  23           HA       ASP  23  49.712   8.207  -6.495
  137    HB2  ASP  23           HB2      ASP  23  51.381   7.803  -4.813
  138    HB3  ASP  23           HB1      ASP  23  50.852   9.200  -3.877
  139    H    TRP  24           HN       TRP  24  49.433  10.737  -3.992
  140    HA   TRP  24           HA       TRP  24  46.761  10.516  -3.431
  141    HB2  TRP  24           HB2      TRP  24  46.844  12.727  -2.566
  142    HB3  TRP  24           HB1      TRP  24  48.475  12.085  -2.375
  143    HD1  TRP  24           HD1      TRP  24  49.936  12.537  -4.901
  144    HE1  TRP  24           HE1      TRP  24  50.249  14.851  -5.993
  145    HE3  TRP  24           HE3      TRP  24  46.061  15.066  -2.740
  146    HZ2  TRP  24           HZ2      TRP  24  49.020  17.433  -5.956
  147    HZ3  TRP  24           HZ3      TRP  24  45.655  17.449  -3.285
  148    HH2  TRP  24           HH2      TRP  24  47.129  18.635  -4.889
  149    H    LYS  25           HN       LYS  25  48.246  12.246  -6.138
  150    HA   LYS  25           HA       LYS  25  47.312  13.385  -7.903
  151    HB2  LYS  25           HB2      LYS  25  47.113  10.872  -8.367
  152    HB3  LYS  25           HB1      LYS  25  45.411  11.045  -7.951
  153    HG2  LYS  25           HG2      LYS  25  45.070  11.654 -10.093
  154    HG3  LYS  25           HG1      LYS  25  45.860  13.170  -9.676
  155    HD2  LYS  25           HD2      LYS  25  47.343  10.708 -10.653
  156    HD3  LYS  25           HD1      LYS  25  46.842  12.036 -11.696
  157    HE2  LYS  25           HE2      LYS  25  48.745  12.216  -9.343
  158    HE3  LYS  25           HE1      LYS  25  49.150  12.408 -11.047
  159    HZ1  LYS  25           HZ1      LYS  25  48.721  14.551 -10.799
  160    HZ2  LYS  25           HZ2      LYS  25  48.119  14.322  -9.227
  161    HZ3  LYS  25           HZ3      LYS  25  47.086  14.165 -10.566
  162    H    SER  26           HN       SER  26  44.298  12.430  -8.364
  163    HA   SER  26           HA       SER  26  42.831  13.876  -6.374
  164    HB2  SER  26           HB2      SER  26  43.509  15.223  -8.973
  165    HB3  SER  26           HB1      SER  26  41.999  15.587  -8.143
  166    HG   SER  26           HG       SER  26  44.430  16.505  -7.624
  167    H    SER  27           HN       SER  27  41.111  12.584  -6.254
  168    HA   SER  27           HA       SER  27  40.196  10.873  -8.286
  169    HB2  SER  27           HB2      SER  27  38.835  11.969  -5.822
  170    HB3  SER  27           HB1      SER  27  38.084  10.780  -6.881
  171    HG   SER  27           HG       SER  27  40.051   9.519  -6.539
  172    H    GLY  28           HN       GLY  28  40.075  14.182  -8.186
  173    HA2  GLY  28           HA2      GLY  28  39.079  15.049 -10.367
  174    HA3  GLY  28           HA1      GLY  28  37.584  14.335  -9.771
  175    H    ALA  29           HN       ALA  29  39.973  15.941  -7.746
  176    HA   ALA  29           HA       ALA  29  39.943  17.995  -6.676
  177    HB1  ALA  29           HB1      ALA  29  38.734  19.740  -7.539
  178    HB2  ALA  29           HB2      ALA  29  37.285  18.764  -7.772
  179    HB3  ALA  29           HB3      ALA  29  38.624  18.642  -8.913
  180    H    LEU  30           HN       LEU  30  38.569  15.439  -5.896
  181    HA   LEU  30           HA       LEU  30  36.492  16.488  -4.088
  182    HB2  LEU  30           HB2      LEU  30  37.116  13.790  -5.227
  183    HB3  LEU  30           HB1      LEU  30  36.276  13.879  -3.681
  184    HG   LEU  30           HG       LEU  30  34.747  13.766  -5.687
  185   HD11  LEU  30          HD11      LEU  30  34.554  15.384  -3.389
  186   HD12  LEU  30          HD12      LEU  30  33.231  14.853  -4.426
  187   HD13  LEU  30          HD13      LEU  30  34.016  16.402  -4.724
  188   HD21  LEU  30          HD21      LEU  30  34.653  15.502  -7.258
  189   HD22  LEU  30          HD22      LEU  30  36.387  15.323  -6.991
  190   HD23  LEU  30          HD23      LEU  30  35.504  16.632  -6.205
  191    H    ILE  31           HN       ILE  31  39.565  16.586  -3.883
  192    HA   ILE  31           HA       ILE  31  40.143  14.975  -1.562
  193    HB   ILE  31           HB       ILE  31  41.820  17.267  -2.568
  194   HG12  ILE  31          HG12      ILE  31  42.845  14.977  -3.717
  195   HG13  ILE  31          HG11      ILE  31  41.107  14.739  -3.896
  196   HG21  ILE  31          HG21      ILE  31  42.496  14.609  -1.278
  197   HG22  ILE  31          HG22      ILE  31  42.418  16.150  -0.425
  198   HG23  ILE  31          HG23      ILE  31  43.635  15.895  -1.676
  199   HD11  ILE  31          HD11      ILE  31  41.041  17.154  -4.780
  200   HD12  ILE  31          HD12      ILE  31  41.753  15.940  -5.839
  201   HD13  ILE  31          HD13      ILE  31  42.793  17.026  -4.918
  202    HA   PRO  32           HA       PRO  32  39.704  19.128   0.677
  203    HB2  PRO  32           HB2      PRO  32  38.429  21.191  -0.541
  204    HB3  PRO  32           HB1      PRO  32  40.153  20.860  -0.780
  205    HG2  PRO  32           HG2      PRO  32  37.890  20.434  -2.605
  206    HG3  PRO  32           HG1      PRO  32  39.606  20.673  -2.964
  207    HD2  PRO  32           HD2      PRO  32  38.171  18.194  -2.903
  208    HD3  PRO  32           HD1      PRO  32  39.909  18.429  -3.174
  209    H    ALA  33           HN       ALA  33  37.597  17.044  -0.151
  210    HA   ALA  33           HA       ALA  33  35.387  18.242   1.385
  211    HB1  ALA  33           HB1      ALA  33  33.826  16.950  -0.194
  212    HB2  ALA  33           HB2      ALA  33  35.202  16.872  -1.294
  213    HB3  ALA  33           HB3      ALA  33  34.545  18.436  -0.815
  214    H    ILE  34           HN       ILE  34  37.044  15.370   0.200
  215    HA   ILE  34           HA       ILE  34  35.556  13.643   2.029
  216    HB   ILE  34           HB       ILE  34  37.738  13.049   0.017
  217   HG12  ILE  34          HG12      ILE  34  34.806  12.291  -0.022
  218   HG13  ILE  34          HG11      ILE  34  35.427  13.746  -0.803
  219   HG21  ILE  34          HG21      ILE  34  36.438  11.432   2.138
  220   HG22  ILE  34          HG22      ILE  34  38.014  11.228   1.374
  221   HG23  ILE  34          HG23      ILE  34  36.556  10.667   0.554
  222   HD11  ILE  34          HD11      ILE  34  37.018  12.310  -2.098
  223   HD12  ILE  34          HD12      ILE  34  35.325  11.964  -2.453
  224   HD13  ILE  34          HD13      ILE  34  36.242  10.888  -1.399
  225    H    TYR  35           HN       TYR  35  38.999  14.330   1.358
  226    HA   TYR  35           HA       TYR  35  39.970  13.121   3.723
  227    HB2  TYR  35           HB2      TYR  35  41.390  13.586   1.759
  228    HB3  TYR  35           HB1      TYR  35  41.229  15.316   2.059
  229    HD1  TYR  35           HD2      TYR  35  42.303  12.132   3.710
  230    HD2  TYR  35           HD1      TYR  35  42.715  16.404   3.517
  231    HE1  TYR  35           HE2      TYR  35  44.174  12.026   5.336
  232    HE2  TYR  35           HE1      TYR  35  44.586  16.297   5.142
  233    HH   TYR  35           HH       TYR  35  45.376  13.359   6.841
  234    H    MET  36           HN       MET  36  38.322  16.054   3.204
  235    HA   MET  36           HA       MET  36  39.434  17.387   5.548
  236    HB2  MET  36           HB2      MET  36  37.505  18.131   3.383
  237    HB3  MET  36           HB1      MET  36  37.483  19.030   4.899
  238    HG2  MET  36           HG2      MET  36  39.833  19.591   4.665
  239    HG3  MET  36           HG1      MET  36  39.976  18.561   3.241
  240    HE1  MET  36           HE1      MET  36  38.212  21.261   4.975
  241    HE2  MET  36           HE2      MET  36  37.715  22.461   3.785
  242    HE3  MET  36           HE3      MET  36  39.408  22.347   4.256
  243    H    LEU  37           HN       LEU  37  36.120  16.560   4.492
  244    HA   LEU  37           HA       LEU  37  35.081  16.721   7.157
  245    HB2  LEU  37           HB2      LEU  37  33.777  15.361   4.797
  246    HB3  LEU  37           HB1      LEU  37  32.992  16.082   6.202
  247    HG   LEU  37           HG       LEU  37  34.571  17.572   4.084
  248   HD11  LEU  37          HD11      LEU  37  32.070  16.648   3.794
  249   HD12  LEU  37          HD12      LEU  37  32.558  18.224   3.170
  250   HD13  LEU  37          HD13      LEU  37  31.703  18.111   4.709
  251   HD21  LEU  37          HD21      LEU  37  34.932  18.834   6.013
  252   HD22  LEU  37          HD22      LEU  37  33.398  18.353   6.737
  253   HD23  LEU  37          HD23      LEU  37  33.423  19.533   5.426
  254    H    VAL  38           HN       VAL  38  37.296  14.945   7.019
  255    HA   VAL  38           HA       VAL  38  35.978  12.474   7.925
  256    HB   VAL  38           HB       VAL  38  38.213  12.701   5.917
  257   HG11  VAL  38          HG11      VAL  38  37.551  10.463   7.828
  258   HG12  VAL  38          HG12      VAL  38  39.131  11.137   7.425
  259   HG13  VAL  38          HG13      VAL  38  38.280  10.127   6.257
  260   HG21  VAL  38          HG21      VAL  38  36.803  11.329   4.573
  261   HG22  VAL  38          HG22      VAL  38  35.724  12.524   5.295
  262   HG23  VAL  38          HG23      VAL  38  35.793  10.887   5.949
  263    H    PHE  39           HN       PHE  39  38.401  14.871   8.240
  264    HA   PHE  39           HA       PHE  39  39.771  13.359  10.370
  265    HB2  PHE  39           HB2      PHE  39  41.476  14.181   9.061
  266    HB3  PHE  39           HB1      PHE  39  40.555  15.601   8.565
  267    HD1  PHE  39           HD1      PHE  39  41.487  14.154  11.901
  268    HD2  PHE  39           HD2      PHE  39  41.603  17.560   9.287
  269    HE1  PHE  39           HE1      PHE  39  42.586  15.484  13.683
  270    HE2  PHE  39           HE2      PHE  39  42.699  18.891  11.068
  271    HZ   PHE  39           HZ       PHE  39  43.192  17.853  13.266
  272    H    LEU  40           HN       LEU  40  38.534  16.646   9.718
  273    HA   LEU  40           HA       LEU  40  38.345  17.139  12.598
  274    HB2  LEU  40           HB2      LEU  40  37.795  19.454  11.919
  275    HB3  LEU  40           HB1      LEU  40  39.317  18.905  11.215
  276    HG   LEU  40           HG       LEU  40  37.243  18.137   9.427
  277   HD11  LEU  40          HD11      LEU  40  37.121  21.065  10.213
  278   HD12  LEU  40          HD12      LEU  40  35.872  19.871  10.573
  279   HD13  LEU  40          HD13      LEU  40  36.226  20.302   8.900
  280   HD21  LEU  40          HD21      LEU  40  39.308  20.359   9.292
  281   HD22  LEU  40          HD22      LEU  40  38.456  19.672   7.909
  282   HD23  LEU  40          HD23      LEU  40  39.577  18.676   8.838
  283    H    LEU  41           HN       LEU  41  36.509  15.438  10.689
  284    HA   LEU  41           HA       LEU  41  34.035  16.273  12.012
  285    HB2  LEU  41           HB2      LEU  41  34.185  17.375   9.717
  286    HB3  LEU  41           HB1      LEU  41  34.065  15.751   9.039
  287    HG   LEU  41           HG       LEU  41  31.998  15.591  10.710
  288   HD11  LEU  41          HD11      LEU  41  31.735  18.471   9.931
  289   HD12  LEU  41          HD12      LEU  41  32.671  18.071  11.371
  290   HD13  LEU  41          HD13      LEU  41  30.975  17.600  11.261
  291   HD21  LEU  41          HD21      LEU  41  31.943  17.067   8.058
  292   HD22  LEU  41          HD22      LEU  41  30.551  16.309   8.829
  293   HD23  LEU  41          HD23      LEU  41  31.893  15.317   8.263
  294    H    GLY  42           HN       GLY  42  35.741  13.937   9.983
  295    HA2  GLY  42           HA2      GLY  42  34.036  11.811   9.869
  296    HA3  GLY  42           HA1      GLY  42  35.771  11.625  10.107
  297    H    THR  43           HN       THR  43  35.807  12.960  12.686
  298    HA   THR  43           HA       THR  43  34.185  11.172  14.368
  299    HB   THR  43           HB       THR  43  36.501  10.197  13.965
  300    HG1  THR  43           HG1      THR  43  35.031  10.166  15.996
  301   HG21  THR  43          HG21      THR  43  37.547  12.550  14.089
  302   HG22  THR  43          HG22      THR  43  38.396  11.245  14.918
  303   HG23  THR  43          HG23      THR  43  37.409  12.379  15.839
  304    H    THR  44           HN       THR  44  36.262  14.003  14.077
  305    HA   THR  44           HA       THR  44  35.722  15.017  16.700
  306    HB   THR  44           HB       THR  44  36.886  16.231  14.196
  307    HG1  THR  44           HG1      THR  44  38.736  16.214  15.524
  308   HG21  THR  44          HG21      THR  44  37.504  18.128  15.840
  309   HG22  THR  44          HG22      THR  44  36.181  17.513  16.831
  310   HG23  THR  44          HG23      THR  44  35.860  18.105  15.201
  311    H    GLY  45           HN       GLY  45  33.874  14.797  13.897
  312    HA2  GLY  45           HA2      GLY  45  32.385  17.254  14.183
  313    HA3  GLY  45           HA1      GLY  45  31.996  15.912  13.111
  314    H    ASN  46           HN       ASN  46  32.586  15.042  16.362
  315    HA   ASN  46           HA       ASN  46  29.873  15.368  17.301
  316    HB2  ASN  46           HB2      ASN  46  29.071  13.437  16.491
  317    HB3  ASN  46           HB1      ASN  46  30.666  12.940  15.926
  318   HD21  ASN  46          HD21      ASN  46  32.083  11.810  17.517
  319   HD22  ASN  46          HD22      ASN  46  31.386  11.009  18.842
  320    H    GLY  47           HN       GLY  47  30.071  15.783  19.395
  321    HA2  GLY  47           HA2      GLY  47  30.622  15.023  21.621
  322    HA3  GLY  47           HA1      GLY  47  32.094  14.311  20.967
  323    H    LEU  48           HN       LEU  48  33.054  16.404  19.425
  324    HA   LEU  48           HA       LEU  48  33.734  18.392  21.504
  325    HB2  LEU  48           HB2      LEU  48  35.304  17.749  18.996
  326    HB3  LEU  48           HB1      LEU  48  35.823  18.731  20.359
  327    HG   LEU  48           HG       LEU  48  36.868  16.573  20.596
  328   HD11  LEU  48          HD11      LEU  48  36.223  16.051  22.793
  329   HD12  LEU  48          HD12      LEU  48  34.524  16.411  22.480
  330   HD13  LEU  48          HD13      LEU  48  35.695  17.724  22.606
  331   HD21  LEU  48          HD21      LEU  48  34.371  15.020  20.896
  332   HD22  LEU  48          HD22      LEU  48  35.887  14.573  20.117
  333   HD23  LEU  48          HD23      LEU  48  34.707  15.548  19.248
  334    H    VAL  49           HN       VAL  49  31.343  18.776  20.206
  335    HA   VAL  49           HA       VAL  49  31.948  21.164  18.582
  336    HB   VAL  49           HB       VAL  49  30.018  20.621  17.123
  337   HG11  VAL  49          HG11      VAL  49  31.127  18.726  15.920
  338   HG12  VAL  49          HG12      VAL  49  32.193  18.513  17.310
  339   HG13  VAL  49          HG13      VAL  49  32.254  20.006  16.372
  340   HG21  VAL  49          HG21      VAL  49  30.028  18.096  18.796
  341   HG22  VAL  49          HG22      VAL  49  29.239  18.194  17.222
  342   HG23  VAL  49          HG23      VAL  49  28.691  19.220  18.549
  343    H    LEU  50           HN       LEU  50  30.759  20.103  21.367
  344    HA   LEU  50           HA       LEU  50  28.699  22.220  21.492
  345    HB2  LEU  50           HB2      LEU  50  28.572  19.489  22.793
  346    HB3  LEU  50           HB1      LEU  50  27.412  20.794  23.046
  347    HG   LEU  50           HG       LEU  50  27.677  20.511  20.245
  348   HD11  LEU  50          HD11      LEU  50  27.099  18.149  19.903
  349   HD12  LEU  50          HD12      LEU  50  27.233  17.850  21.635
  350   HD13  LEU  50          HD13      LEU  50  28.667  18.279  20.701
  351   HD21  LEU  50          HD21      LEU  50  25.531  19.645  22.207
  352   HD22  LEU  50          HD22      LEU  50  25.296  19.736  20.462
  353   HD23  LEU  50          HD23      LEU  50  25.641  21.200  21.383
  354    H    TRP  51           HN       TRP  51  31.628  21.132  22.561
  355    HA   TRP  51           HA       TRP  51  31.313  22.307  25.252
  356    HB2  TRP  51           HB2      TRP  51  32.394  20.414  25.833
  357    HB3  TRP  51           HB1      TRP  51  32.886  20.086  24.171
  358    HD1  TRP  51           HD1      TRP  51  33.874  22.372  27.122
  359    HE1  TRP  51           HE1      TRP  51  36.407  22.833  26.969
  360    HE3  TRP  51           HE3      TRP  51  34.945  19.979  22.740
  361    HZ2  TRP  51           HZ2      TRP  51  38.596  22.263  25.220
  362    HZ3  TRP  51           HZ3      TRP  51  37.260  19.954  21.854
  363    HH2  TRP  51           HH2      TRP  51  39.085  21.092  23.088
  364    H    THR  52           HN       THR  52  33.120  22.486  22.242
  365    HA   THR  52           HA       THR  52  34.753  24.695  23.256
  366    HB   THR  52           HB       THR  52  35.562  22.739  21.722
  367    HG1  THR  52           HG1      THR  52  36.104  25.480  21.564
  368   HG21  THR  52          HG21      THR  52  35.212  22.972  19.411
  369   HG22  THR  52          HG22      THR  52  34.683  24.648  19.567
  370   HG23  THR  52          HG23      THR  52  33.626  23.338  20.091
  371    H    VAL  53           HN       VAL  53  31.831  24.181  21.596
  372    HA   VAL  53           HA       VAL  53  31.912  26.751  20.200
  373    HB   VAL  53           HB       VAL  53  29.945  24.467  20.261
  374   HG11  VAL  53          HG11      VAL  53  28.488  26.320  20.190
  375   HG12  VAL  53          HG12      VAL  53  28.754  25.942  18.489
  376   HG13  VAL  53          HG13      VAL  53  29.617  27.284  19.239
  377   HG21  VAL  53          HG21      VAL  53  32.117  24.601  18.808
  378   HG22  VAL  53          HG22      VAL  53  31.209  25.781  17.863
  379   HG23  VAL  53          HG23      VAL  53  30.605  24.132  18.031
  380    H    PHE  54           HN       PHE  54  30.892  25.437  23.181
  381    HA   PHE  54           HA       PHE  54  28.822  27.426  23.659
  382    HB2  PHE  54           HB2      PHE  54  29.955  25.114  25.199
  383    HB3  PHE  54           HB1      PHE  54  29.010  26.346  26.035
  384    HD1  PHE  54           HD2      PHE  54  28.834  24.490  22.772
  385    HD2  PHE  54           HD1      PHE  54  26.741  25.858  26.265
  386    HE1  PHE  54           HE2      PHE  54  26.746  23.449  21.929
  387    HE2  PHE  54           HE1      PHE  54  24.655  24.817  25.424
  388    HZ   PHE  54           HZ       PHE  54  24.657  23.614  23.256
  389    H    ARG  55           HN       ARG  55  32.160  27.345  23.774
  390    HA   ARG  55           HA       ARG  55  32.385  29.197  26.038
  391    HB2  ARG  55           HB2      ARG  55  34.757  28.466  24.398
  392    HB3  ARG  55           HB1      ARG  55  34.603  28.632  26.146
  393    HG2  ARG  55           HG2      ARG  55  33.574  26.328  24.462
  394    HG3  ARG  55           HG1      ARG  55  34.925  26.278  25.594
  395    HD2  ARG  55           HD2      ARG  55  32.966  27.255  27.209
  396    HD3  ARG  55           HD1      ARG  55  32.013  26.243  26.128
  397    HE   ARG  55           HE       ARG  55  34.055  24.601  26.818
  398   HH11  ARG  55          HH21      ARG  55  31.909  26.641  28.608
  399   HH12  ARG  55          HH22      ARG  55  31.921  25.645  30.024
  400   HH21  ARG  55          HH11      ARG  55  34.076  23.289  28.671
  401   HH22  ARG  55          HH12      ARG  55  33.147  23.746  30.060
  402    H    LYS  56           HN       LYS  56  33.117  29.037  22.561
  403    HA   LYS  56           HA       LYS  56  34.015  31.733  22.358
  404    HB2  LYS  56           HB2      LYS  56  33.859  31.397  19.951
  405    HB3  LYS  56           HB1      LYS  56  34.567  29.966  20.702
  406    HG2  LYS  56           HG2      LYS  56  32.970  28.771  19.641
  407    HG3  LYS  56           HG1      LYS  56  31.827  29.471  20.786
  408    HD2  LYS  56           HD2      LYS  56  30.948  29.941  18.612
  409    HD3  LYS  56           HD1      LYS  56  31.639  31.455  19.196
  410    HE2  LYS  56           HE2      LYS  56  33.783  30.177  17.950
  411    HE3  LYS  56           HE1      LYS  56  32.413  29.840  16.892
  412    HZ1  LYS  56           HZ1      LYS  56  32.234  31.977  16.308
  413    HZ2  LYS  56           HZ2      LYS  56  33.832  32.116  16.866
  414    HZ3  LYS  56           HZ3      LYS  56  32.537  32.551  17.875
  415    H    LYS  57           HN       LYS  57  30.926  30.348  22.703
  416    HA   LYS  57           HA       LYS  57  29.292  32.068  21.218
  417    HB2  LYS  57           HB2      LYS  57  28.444  30.050  22.329
  418    HB3  LYS  57           HB1      LYS  57  28.733  30.788  23.904
  419    HG2  LYS  57           HG2      LYS  57  27.165  32.497  22.109
  420    HG3  LYS  57           HG1      LYS  57  26.374  30.963  22.471
  421    HD2  LYS  57           HD2      LYS  57  26.654  31.360  24.878
  422    HD3  LYS  57           HD1      LYS  57  27.498  32.873  24.542
  423    HE2  LYS  57           HE2      LYS  57  25.106  33.250  25.101
  424    HE3  LYS  57           HE1      LYS  57  25.495  33.785  23.466
  425    HZ1  LYS  57           HZ1      LYS  57  23.475  32.532  23.416
  426    HZ2  LYS  57           HZ2      LYS  57  24.194  31.231  24.238
  427    HZ3  LYS  57           HZ3      LYS  57  24.686  31.618  22.658
  428    H    GLY  58           HN       GLY  58  31.113  32.612  24.112
  429    HA2  GLY  58           HA2      GLY  58  29.648  34.869  25.082
  430    HA3  GLY  58           HA1      GLY  58  31.289  34.419  25.538
  431    H    HIS  59           HN       HIS  59  30.052  35.133  22.296
  432    HA   HIS  59           HA       HIS  59  31.587  37.642  22.261
  433    HB2  HIS  59           HB2      HIS  59  32.757  37.088  20.269
  434    HB3  HIS  59           HB1      HIS  59  32.958  35.699  21.337
  435    HD2  HIS  59           HD2      HIS  59  29.915  34.375  20.654
  436    HE1  HIS  59           HE1      HIS  59  31.451  34.154  16.728
  437    HE2  HIS  59           HE2      HIS  59  29.646  33.292  18.294
  438    H    HIS  60           HN       HIS  60  28.910  35.742  21.296
  439    HA   HIS  60           HA       HIS  60  28.025  37.766  19.347
  440    HB2  HIS  60           HB2      HIS  60  27.929  35.009  19.253
  441    HB3  HIS  60           HB1      HIS  60  26.291  35.442  19.743
  442    HD2  HIS  60           HD2      HIS  60  25.319  37.741  17.934
  443    HE1  HIS  60           HE1      HIS  60  27.349  36.028  14.652
  444    HE2  HIS  60           HE2      HIS  60  25.573  37.709  15.335
  445    H    HIS  61           HN       HIS  61  27.900  37.413  22.543
  446    HA   HIS  61           HA       HIS  61  25.269  37.444  23.383
  447    HB2  HIS  61           HB2      HIS  61  27.769  38.049  24.514
  448    HB3  HIS  61           HB1      HIS  61  26.770  39.476  24.785
  449    HD2  HIS  61           HD2      HIS  61  25.774  35.615  25.058
  450    HE1  HIS  61           HE1      HIS  61  24.562  37.632  28.564
  451    HE2  HIS  61           HE2      HIS  61  24.569  35.394  27.364
  452    H    HIS  62           HN       HIS  62  24.395  39.663  24.458
  453    HA   HIS  62           HA       HIS  62  23.956  41.448  22.158
  454    HB2  HIS  62           HB2      HIS  62  22.007  42.257  23.539
  455    HB3  HIS  62           HB1      HIS  62  21.914  40.562  23.059
  456    HD2  HIS  62           HD2      HIS  62  22.863  38.754  25.248
  457    HE1  HIS  62           HE1      HIS  62  21.811  41.546  28.235
  458    HE2  HIS  62           HE2      HIS  62  22.453  39.128  27.800
  459    H    HIS  63           HN       HIS  63  26.287  41.436  24.119
  460    HA   HIS  63           HA       HIS  63  26.460  44.295  24.399
  461    HB2  HIS  63           HB2      HIS  63  26.542  44.469  26.762
  462    HB3  HIS  63           HB1      HIS  63  25.103  43.509  26.419
  463    HD2  HIS  63           HD2      HIS  63  27.090  43.149  29.219
  464    HE1  HIS  63           HE1      HIS  63  27.711  39.325  27.542
  465    HE2  HIS  63           HE2      HIS  63  27.911  40.710  29.661
  466    H    HIS  64           HN       HIS  64  27.978  42.425  22.987
  467    HA   HIS  64           HA       HIS  64  30.188  41.271  24.070
  468    HB2  HIS  64           HB2      HIS  64  30.235  41.058  21.794
  469    HB3  HIS  64           HB1      HIS  64  29.683  42.711  21.520
  470    HD2  HIS  64           HD2      HIS  64  33.085  40.912  22.527
  471    HE1  HIS  64           HE1      HIS  64  33.961  44.704  20.891
  472    HE2  HIS  64           HE2      HIS  64  34.974  42.551  21.779
  Start of MODEL   32
    1    H1   MET   1           HT1      MET   1  53.865 -11.158 -40.011
    2    H2   MET   1           HT2      MET   1  53.468  -9.730 -39.181
    3    H3   MET   1           HT3      MET   1  53.150 -11.243 -38.475
    4    HA   MET   1           HA       MET   1  55.149 -10.047 -37.585
    5    HB2  MET   1           HB2      MET   1  55.360 -12.803 -38.825
    6    HB3  MET   1           HB1      MET   1  56.562 -12.149 -37.711
    7    HG2  MET   1           HG2      MET   1  55.117 -12.201 -35.899
    8    HG3  MET   1           HG1      MET   1  53.679 -12.059 -36.909
    9    HE1  MET   1           HE1      MET   1  54.549 -14.170 -34.407
   10    HE2  MET   1           HE2      MET   1  56.161 -14.158 -35.119
   11    HE3  MET   1           HE3      MET   1  55.273 -15.675 -34.993
   12    H    GLU   2           HN       GLU   2  55.125  -8.512 -39.731
   13    HA   GLU   2           HA       GLU   2  57.037  -9.131 -41.748
   14    HB2  GLU   2           HB2      GLU   2  55.844  -6.515 -40.813
   15    HB3  GLU   2           HB1      GLU   2  56.933  -6.647 -42.194
   16    HG2  GLU   2           HG2      GLU   2  54.643  -6.727 -43.003
   17    HG3  GLU   2           HG1      GLU   2  55.371  -8.321 -43.204
   18    H    GLU   3           HN       GLU   3  58.587  -9.948 -39.959
   19    HA   GLU   3           HA       GLU   3  60.012  -8.305 -38.251
   20    HB2  GLU   3           HB2      GLU   3  60.645 -10.807 -39.743
   21    HB3  GLU   3           HB1      GLU   3  61.983  -9.937 -38.991
   22    HG2  GLU   3           HG2      GLU   3  59.480 -10.451 -37.414
   23    HG3  GLU   3           HG1      GLU   3  60.667 -11.739 -37.603
   24    H    GLY   4           HN       GLY   4  61.960  -7.139 -38.430
   25    HA2  GLY   4           HA2      GLY   4  63.755  -6.656 -40.280
   26    HA3  GLY   4           HA1      GLY   4  62.361  -5.930 -41.075
   27    H    GLY   5           HN       GLY   5  61.467  -5.339 -38.132
   28    HA2  GLY   5           HA2      GLY   5  63.251  -3.049 -37.617
   29    HA3  GLY   5           HA1      GLY   5  61.519  -2.778 -37.790
   30    H    ASP   6           HN       ASP   6  64.027  -4.160 -35.782
   31    HA   ASP   6           HA       ASP   6  62.393  -5.317 -33.792
   32    HB2  ASP   6           HB2      ASP   6  65.145  -5.007 -34.253
   33    HB3  ASP   6           HB1      ASP   6  64.836  -4.226 -32.704
   34    H    PHE   7           HN       PHE   7  62.378  -2.215 -34.752
   35    HA   PHE   7           HA       PHE   7  62.073  -1.079 -32.051
   36    HB2  PHE   7           HB2      PHE   7  63.458   0.365 -33.223
   37    HB3  PHE   7           HB1      PHE   7  62.637   0.075 -34.756
   38    HD1  PHE   7           HD1      PHE   7  62.128   1.586 -31.372
   39    HD2  PHE   7           HD2      PHE   7  60.950   1.538 -35.504
   40    HE1  PHE   7           HE1      PHE   7  60.705   3.582 -30.990
   41    HE2  PHE   7           HE2      PHE   7  59.527   3.533 -35.120
   42    HZ   PHE   7           HZ       PHE   7  59.404   4.554 -32.865
   43    H    ASP   8           HN       ASP   8  60.452  -0.875 -35.230
   44    HA   ASP   8           HA       ASP   8  58.056   0.243 -34.334
   45    HB2  ASP   8           HB2      ASP   8  59.025  -0.435 -36.763
   46    HB3  ASP   8           HB1      ASP   8  57.861  -1.738 -36.528
   47    H    ASN   9           HN       ASN   9  56.330  -0.524 -33.272
   48    HA   ASN   9           HA       ASN   9  55.957  -3.438 -33.062
   49    HB2  ASN   9           HB2      ASN   9  57.142  -2.146 -31.028
   50    HB3  ASN   9           HB1      ASN   9  55.457  -1.840 -30.608
   51   HD21  ASN   9          HD21      ASN   9  57.206  -3.582 -29.065
   52   HD22  ASN   9          HD22      ASN   9  56.571  -5.153 -29.169
   53    H    TYR  10           HN       TYR  10  54.613  -0.215 -32.398
   54    HA   TYR  10           HA       TYR  10  52.071  -1.010 -33.542
   55    HB2  TYR  10           HB2      TYR  10  52.207  -0.167 -30.637
   56    HB3  TYR  10           HB1      TYR  10  50.741  -0.495 -31.561
   57    HD1  TYR  10           HD2      TYR  10  50.470  -2.836 -32.597
   58    HD2  TYR  10           HD1      TYR  10  53.359  -1.917 -29.553
   59    HE1  TYR  10           HE2      TYR  10  50.668  -5.248 -32.056
   60    HE2  TYR  10           HE1      TYR  10  53.556  -4.329 -29.012
   61    HH   TYR  10           HH       TYR  10  52.260  -6.375 -29.243
   62    H    TYR  11           HN       TYR  11  53.853   1.431 -31.677
   63    HA   TYR  11           HA       TYR  11  54.069   3.700 -31.978
   64    HB2  TYR  11           HB2      TYR  11  53.993   2.739 -34.506
   65    HB3  TYR  11           HB1      TYR  11  52.556   3.762 -34.521
   66    HD1  TYR  11           HD1      TYR  11  52.723   6.184 -34.089
   67    HD2  TYR  11           HD2      TYR  11  56.212   3.685 -34.257
   68    HE1  TYR  11           HE1      TYR  11  54.157   8.199 -34.293
   69    HE2  TYR  11           HE2      TYR  11  57.646   5.699 -34.461
   70    HH   TYR  11           HH       TYR  11  57.633   8.008 -34.083
   71    H    GLY  12           HN       GLY  12  52.910   5.191 -30.941
   72    HA2  GLY  12           HA2      GLY  12  51.116   6.286 -30.004
   73    HA3  GLY  12           HA1      GLY  12  50.339   6.061 -31.568
   74    H    ALA  13           HN       ALA  13  51.395   3.432 -29.486
   75    HA   ALA  13           HA       ALA  13  48.742   2.285 -29.514
   76    HB1  ALA  13           HB1      ALA  13  49.998   0.434 -29.368
   77    HB2  ALA  13           HB2      ALA  13  50.347   0.866 -27.694
   78    HB3  ALA  13           HB3      ALA  13  51.434   1.383 -28.983
   79    H    ASP  14           HN       ASP  14  50.829   3.918 -27.192
   80    HA   ASP  14           HA       ASP  14  49.468   3.381 -24.823
   81    HB2  ASP  14           HB2      ASP  14  51.643   4.598 -25.012
   82    HB3  ASP  14           HB1      ASP  14  50.756   6.013 -25.579
   83    H    ASN  15           HN       ASN  15  48.415   5.120 -27.558
   84    HA   ASN  15           HA       ASN  15  46.719   7.055 -26.455
   85    HB2  ASN  15           HB2      ASN  15  47.353   6.505 -28.946
   86    HB3  ASN  15           HB1      ASN  15  45.895   5.518 -28.889
   87   HD21  ASN  15          HD21      ASN  15  44.093   6.973 -27.448
   88   HD22  ASN  15          HD22      ASN  15  43.845   8.504 -28.136
   89    H    GLN  16           HN       GLN  16  46.221   3.605 -27.029
   90    HA   GLN  16           HA       GLN  16  43.523   3.795 -25.866
   91    HB2  GLN  16           HB2      GLN  16  44.688   1.258 -26.955
   92    HB3  GLN  16           HB1      GLN  16  43.009   1.798 -26.934
   93    HG2  GLN  16           HG2      GLN  16  43.646   3.606 -28.563
   94    HG3  GLN  16           HG1      GLN  16  45.243   2.869 -28.677
   95   HE21  GLN  16          HE21      GLN  16  44.164   0.090 -28.450
   96   HE22  GLN  16          HE22      GLN  16  43.419  -0.235 -29.940
   97    H    SER  17           HN       SER  17  45.642   4.213 -24.095
   98    HA   SER  17           HA       SER  17  45.291   1.897 -22.326
   99    HB2  SER  17           HB2      SER  17  47.678   2.325 -23.710
  100    HB3  SER  17           HB1      SER  17  47.980   2.971 -22.099
  101    HG   SER  17           HG       SER  17  48.339   0.638 -22.438
  102    H    GLU  18           HN       GLU  18  46.279   2.474 -20.091
  103    HA   GLU  18           HA       GLU  18  44.876   4.509 -18.914
  104    HB2  GLU  18           HB2      GLU  18  47.622   3.539 -18.083
  105    HB3  GLU  18           HB1      GLU  18  46.468   4.386 -17.052
  106    HG2  GLU  18           HG2      GLU  18  44.842   2.555 -17.366
  107    HG3  GLU  18           HG1      GLU  18  45.996   1.706 -18.393
  108    H    CYS  19           HN       CYS  19  44.820   6.541 -19.696
  109    HA   CYS  19           HA       CYS  19  47.331   8.066 -19.670
  110    HB2  CYS  19           HB2      CYS  19  46.124   7.237 -22.052
  111    HB3  CYS  19           HB1      CYS  19  45.630   8.919 -21.858
  112    HG   CYS  19           HG       CYS  19  47.907   9.485 -22.644
  113    H    GLU  20           HN       GLU  20  43.798   8.073 -19.840
  114    HA   GLU  20           HA       GLU  20  43.742  10.388 -18.060
  115    HB2  GLU  20           HB2      GLU  20  42.404  10.372 -20.776
  116    HB3  GLU  20           HB1      GLU  20  42.106  11.571 -19.517
  117    HG2  GLU  20           HG2      GLU  20  44.615  12.012 -19.517
  118    HG3  GLU  20           HG1      GLU  20  44.698  11.037 -20.983
  119    H    TYR  21           HN       TYR  21  43.098   7.646 -17.652
  120    HA   TYR  21           HA       TYR  21  40.244   7.931 -16.995
  121    HB2  TYR  21           HB2      TYR  21  41.422   5.403 -18.167
  122    HB3  TYR  21           HB1      TYR  21  39.731   5.704 -17.762
  123    HD1  TYR  21           HD1      TYR  21  38.577   7.713 -18.943
  124    HD2  TYR  21           HD2      TYR  21  42.218   5.898 -20.321
  125    HE1  TYR  21           HE1      TYR  21  38.206   8.680 -21.196
  126    HE2  TYR  21           HE2      TYR  21  41.847   6.865 -22.574
  127    HH   TYR  21           HH       TYR  21  38.857   8.542 -23.384
  128    H    THR  22           HN       THR  22  43.100   7.802 -15.718
  129    HA   THR  22           HA       THR  22  42.261   6.657 -13.255
  130    HB   THR  22           HB       THR  22  42.639   4.547 -14.464
  131    HG1  THR  22           HG1      THR  22  43.317   3.945 -12.590
  132   HG21  THR  22          HG21      THR  22  45.536   5.363 -14.695
  133   HG22  THR  22          HG22      THR  22  44.386   5.631 -16.005
  134   HG23  THR  22          HG23      THR  22  44.725   3.991 -15.450
  135    H    ASP  23           HN       ASP  23  44.886   7.697 -15.353
  136    HA   ASP  23           HA       ASP  23  46.630   8.330 -13.114
  137    HB2  ASP  23           HB2      ASP  23  47.326   9.447 -15.734
  138    HB3  ASP  23           HB1      ASP  23  48.273   8.421 -14.657
  139    H    TRP  24           HN       TRP  24  43.976   9.648 -13.401
  140    HA   TRP  24           HA       TRP  24  44.872  12.345 -12.872
  141    HB2  TRP  24           HB2      TRP  24  43.856  13.470 -14.642
  142    HB3  TRP  24           HB1      TRP  24  44.537  12.056 -15.447
  143    HD1  TRP  24           HD1      TRP  24  42.793   9.947 -15.804
  144    HE1  TRP  24           HE1      TRP  24  40.274  10.003 -16.348
  145    HE3  TRP  24           HE3      TRP  24  41.691  14.728 -14.390
  146    HZ2  TRP  24           HZ2      TRP  24  38.081  11.833 -16.203
  147    HZ3  TRP  24           HZ3      TRP  24  39.381  15.602 -14.603
  148    HH2  TRP  24           HH2      TRP  24  37.577  14.161 -15.507
  149    H    LYS  25           HN       LYS  25  43.462  10.152 -11.514
  150    HA   LYS  25           HA       LYS  25  40.731  10.402 -11.298
  151    HB2  LYS  25           HB2      LYS  25  42.269   8.808 -10.043
  152    HB3  LYS  25           HB1      LYS  25  42.538  10.119  -8.896
  153    HG2  LYS  25           HG2      LYS  25  40.682   9.384  -7.835
  154    HG3  LYS  25           HG1      LYS  25  39.783  10.104  -9.168
  155    HD2  LYS  25           HD2      LYS  25  40.814   7.249  -9.163
  156    HD3  LYS  25           HD1      LYS  25  39.170   7.711  -8.734
  157    HE2  LYS  25           HE2      LYS  25  39.006   8.843 -11.000
  158    HE3  LYS  25           HE1      LYS  25  40.534   8.065 -11.413
  159    HZ1  LYS  25           HZ1      LYS  25  38.182   6.562 -10.424
  160    HZ2  LYS  25           HZ2      LYS  25  39.584   5.942 -11.156
  161    HZ3  LYS  25           HZ3      LYS  25  38.466   6.836 -12.073
  162    H    SER  26           HN       SER  26  43.090  12.149  -9.256
  163    HA   SER  26           HA       SER  26  41.539  14.582  -9.401
  164    HB2  SER  26           HB2      SER  26  40.972  14.734  -7.061
  165    HB3  SER  26           HB1      SER  26  40.320  13.222  -7.685
  166    HG   SER  26           HG       SER  26  41.487  13.059  -5.656
  167    H    SER  27           HN       SER  27  43.609  13.311  -6.808
  168    HA   SER  27           HA       SER  27  45.759  13.855  -6.177
  169    HB2  SER  27           HB2      SER  27  45.957  13.969  -8.853
  170    HB3  SER  27           HB1      SER  27  46.213  15.672  -8.483
  171    HG   SER  27           HG       SER  27  48.043  15.192  -7.512
  172    H    GLY  28           HN       GLY  28  43.336  15.442  -5.597
  173    HA2  GLY  28           HA2      GLY  28  43.683  17.234  -3.863
  174    HA3  GLY  28           HA1      GLY  28  44.575  18.090  -5.117
  175    H    ALA  29           HN       ALA  29  41.920  16.305  -6.283
  176    HA   ALA  29           HA       ALA  29  40.458  18.790  -6.800
  177    HB1  ALA  29           HB1      ALA  29  39.385  16.265  -7.871
  178    HB2  ALA  29           HB2      ALA  29  41.018  16.657  -8.412
  179    HB3  ALA  29           HB3      ALA  29  39.700  17.796  -8.688
  180    H    LEU  30           HN       LEU  30  39.512  15.455  -5.933
  181    HA   LEU  30           HA       LEU  30  37.239  16.564  -4.428
  182    HB2  LEU  30           HB2      LEU  30  36.331  14.284  -4.509
  183    HB3  LEU  30           HB1      LEU  30  36.726  14.857  -6.128
  184    HG   LEU  30           HG       LEU  30  39.100  13.715  -5.308
  185   HD11  LEU  30          HD11      LEU  30  37.723  12.828  -3.324
  186   HD12  LEU  30          HD12      LEU  30  38.668  11.651  -4.235
  187   HD13  LEU  30          HD13      LEU  30  36.930  11.782  -4.502
  188   HD21  LEU  30          HD21      LEU  30  36.811  12.391  -6.795
  189   HD22  LEU  30          HD22      LEU  30  38.506  11.909  -6.880
  190   HD23  LEU  30          HD23      LEU  30  38.001  13.476  -7.513
  191    H    ILE  31           HN       ILE  31  40.350  15.627  -3.871
  192    HA   ILE  31           HA       ILE  31  40.068  14.029  -1.531
  193    HB   ILE  31           HB       ILE  31  42.469  15.752  -1.808
  194   HG12  ILE  31          HG12      ILE  31  41.484  13.825  -3.907
  195   HG13  ILE  31          HG11      ILE  31  42.245  15.401  -4.124
  196   HG21  ILE  31          HG21      ILE  31  43.564  13.822  -1.042
  197   HG22  ILE  31          HG22      ILE  31  42.308  12.750  -1.661
  198   HG23  ILE  31          HG23      ILE  31  42.003  13.731  -0.227
  199   HD11  ILE  31          HD11      ILE  31  44.311  14.296  -2.984
  200   HD12  ILE  31          HD12      ILE  31  43.973  13.913  -4.671
  201   HD13  ILE  31          HD13      ILE  31  43.524  12.774  -3.403
  202    HA   PRO  32           HA       PRO  32  40.371  18.119   0.837
  203    HB2  PRO  32           HB2      PRO  32  40.092  20.475  -0.499
  204    HB3  PRO  32           HB1      PRO  32  41.645  19.636  -0.339
  205    HG2  PRO  32           HG2      PRO  32  39.913  19.931  -2.684
  206    HG3  PRO  32           HG1      PRO  32  41.643  19.575  -2.592
  207    HD2  PRO  32           HD2      PRO  32  39.492  17.724  -3.043
  208    HD3  PRO  32           HD1      PRO  32  41.226  17.364  -2.918
  209    H    ALA  33           HN       ALA  33  37.995  16.805  -0.618
  210    HA   ALA  33           HA       ALA  33  35.933  18.675   0.379
  211    HB1  ALA  33           HB1      ALA  33  35.825  17.000  -2.142
  212    HB2  ALA  33           HB2      ALA  33  35.896  18.761  -2.056
  213    HB3  ALA  33           HB3      ALA  33  34.467  17.907  -1.474
  214    H    ILE  34           HN       ILE  34  36.991  15.378  -0.183
  215    HA   ILE  34           HA       ILE  34  34.712  14.345   1.369
  216    HB   ILE  34           HB       ILE  34  36.814  12.775  -0.134
  217   HG12  ILE  34          HG12      ILE  34  34.054  13.665  -1.038
  218   HG13  ILE  34          HG11      ILE  34  35.578  14.305  -1.650
  219   HG21  ILE  34          HG21      ILE  34  35.499  11.593   1.635
  220   HG22  ILE  34          HG22      ILE  34  35.178  10.972   0.016
  221   HG23  ILE  34          HG23      ILE  34  34.018  12.050   0.793
  222   HD11  ILE  34          HD11      ILE  34  35.175  12.686  -3.248
  223   HD12  ILE  34          HD12      ILE  34  34.319  11.635  -2.121
  224   HD13  ILE  34          HD13      ILE  34  36.079  11.722  -2.080
  225    H    TYR  35           HN       TYR  35  38.226  14.574   1.342
  226    HA   TYR  35           HA       TYR  35  38.527  12.985   3.746
  227    HB2  TYR  35           HB2      TYR  35  40.228  13.211   1.825
  228    HB3  TYR  35           HB1      TYR  35  40.632  14.772   2.540
  229    HD1  TYR  35           HD1      TYR  35  40.230  11.154   3.418
  230    HD2  TYR  35           HD2      TYR  35  42.143  14.889   4.333
  231    HE1  TYR  35           HE1      TYR  35  41.646  10.015   5.106
  232    HE2  TYR  35           HE2      TYR  35  43.559  13.751   6.021
  233    HH   TYR  35           HH       TYR  35  43.170  10.272   6.699
  234    H    MET  36           HN       MET  36  38.359  16.378   2.867
  235    HA   MET  36           HA       MET  36  39.204  17.346   5.444
  236    HB2  MET  36           HB2      MET  36  39.436  18.630   3.291
  237    HB3  MET  36           HB1      MET  36  37.685  18.843   3.300
  238    HG2  MET  36           HG2      MET  36  37.990  20.646   4.613
  239    HG3  MET  36           HG1      MET  36  38.518  19.548   5.888
  240    HE1  MET  36           HE1      MET  36  41.060  21.972   2.953
  241    HE2  MET  36           HE2      MET  36  39.450  22.388   3.535
  242    HE3  MET  36           HE3      MET  36  39.669  20.972   2.509
  243    H    LEU  37           HN       LEU  37  36.082  17.123   3.742
  244    HA   LEU  37           HA       LEU  37  34.576  18.057   6.003
  245    HB2  LEU  37           HB2      LEU  37  33.545  16.526   3.607
  246    HB3  LEU  37           HB1      LEU  37  32.633  17.598   4.671
  247    HG   LEU  37           HG       LEU  37  34.924  18.431   2.865
  248   HD11  LEU  37          HD11      LEU  37  33.326  19.343   1.419
  249   HD12  LEU  37          HD12      LEU  37  32.075  19.371   2.661
  250   HD13  LEU  37          HD13      LEU  37  32.547  17.843   1.921
  251   HD21  LEU  37          HD21      LEU  37  35.027  19.935   4.653
  252   HD22  LEU  37          HD22      LEU  37  33.296  19.835   4.968
  253   HD23  LEU  37          HD23      LEU  37  33.887  20.746   3.579
  254    H    VAL  38           HN       VAL  38  36.372  15.594   6.185
  255    HA   VAL  38           HA       VAL  38  34.387  13.912   7.563
  256    HB   VAL  38           HB       VAL  38  36.451  12.954   5.571
  257   HG11  VAL  38          HG11      VAL  38  35.481  10.668   6.259
  258   HG12  VAL  38          HG12      VAL  38  34.894  11.489   7.705
  259   HG13  VAL  38          HG13      VAL  38  36.624  11.419   7.372
  260   HG21  VAL  38          HG21      VAL  38  34.499  11.968   4.470
  261   HG22  VAL  38          HG22      VAL  38  34.235  13.697   4.693
  262   HG23  VAL  38          HG23      VAL  38  33.449  12.539   5.767
  263    H    PHE  39           HN       PHE  39  37.611  15.157   7.235
  264    HA   PHE  39           HA       PHE  39  38.852  13.580   9.258
  265    HB2  PHE  39           HB2      PHE  39  40.441  14.594   7.937
  266    HB3  PHE  39           HB1      PHE  39  39.516  16.088   7.783
  267    HD1  PHE  39           HD2      PHE  39  41.406  14.033  10.274
  268    HD2  PHE  39           HD1      PHE  39  40.003  17.935   9.153
  269    HE1  PHE  39           HE2      PHE  39  42.709  15.035  12.131
  270    HE2  PHE  39           HE1      PHE  39  41.306  18.938  11.010
  271    HZ   PHE  39           HZ       PHE  39  42.659  17.488  12.498
  272    H    LEU  40           HN       LEU  40  37.337  16.795   9.255
  273    HA   LEU  40           HA       LEU  40  37.647  16.976  12.161
  274    HB2  LEU  40           HB2      LEU  40  36.772  19.260  11.884
  275    HB3  LEU  40           HB1      LEU  40  38.145  18.971  10.816
  276    HG   LEU  40           HG       LEU  40  35.950  18.141   9.315
  277   HD11  LEU  40          HD11      LEU  40  34.441  19.202  10.955
  278   HD12  LEU  40          HD12      LEU  40  34.400  20.061   9.416
  279   HD13  LEU  40          HD13      LEU  40  35.311  20.726  10.771
  280   HD21  LEU  40          HD21      LEU  40  37.827  19.326   8.380
  281   HD22  LEU  40          HD22      LEU  40  37.506  20.740   9.383
  282   HD23  LEU  40          HD23      LEU  40  36.396  20.313   8.081
  283    H    LEU  41           HN       LEU  41  35.626  15.346  10.303
  284    HA   LEU  41           HA       LEU  41  33.354  15.767  12.130
  285    HB2  LEU  41           HB2      LEU  41  33.401  16.307   9.281
  286    HB3  LEU  41           HB1      LEU  41  32.210  15.066   9.672
  287    HG   LEU  41           HG       LEU  41  32.431  17.694  11.163
  288   HD11  LEU  41          HD11      LEU  41  31.814  18.217   8.886
  289   HD12  LEU  41          HD12      LEU  41  30.347  18.282   9.863
  290   HD13  LEU  41          HD13      LEU  41  30.664  16.881   8.838
  291   HD21  LEU  41          HD21      LEU  41  31.098  15.272  11.723
  292   HD22  LEU  41          HD22      LEU  41  29.852  16.369  11.130
  293   HD23  LEU  41          HD23      LEU  41  30.844  16.828  12.514
  294    H    GLY  42           HN       GLY  42  35.624  13.717  11.074
  295    HA2  GLY  42           HA2      GLY  42  33.995  11.343  10.681
  296    HA3  GLY  42           HA1      GLY  42  35.755  11.415  10.704
  297    H    THR  43           HN       THR  43  35.943  12.815  13.225
  298    HA   THR  43           HA       THR  43  34.694  11.044  15.182
  299    HB   THR  43           HB       THR  43  36.634   9.743  14.746
  300    HG1  THR  43           HG1      THR  43  36.941  11.480  16.950
  301   HG21  THR  43          HG21      THR  43  38.858  11.356  15.177
  302   HG22  THR  43          HG22      THR  43  37.796  12.363  14.194
  303   HG23  THR  43          HG23      THR  43  38.291  10.772  13.612
  304    H    THR  44           HN       THR  44  36.678  13.832  14.408
  305    HA   THR  44           HA       THR  44  36.857  14.901  17.034
  306    HB   THR  44           HB       THR  44  37.182  16.039  14.272
  307    HG1  THR  44           HG1      THR  44  39.017  15.158  14.873
  308   HG21  THR  44          HG21      THR  44  37.991  18.127  15.600
  309   HG22  THR  44          HG22      THR  44  36.957  17.509  16.888
  310   HG23  THR  44          HG23      THR  44  36.261  17.925  15.322
  311    H    GLY  45           HN       GLY  45  34.630  15.532  14.329
  312    HA2  GLY  45           HA2      GLY  45  33.095  17.555  15.450
  313    HA3  GLY  45           HA1      GLY  45  32.483  16.365  14.305
  314    H    ASN  46           HN       ASN  46  33.461  14.370  16.546
  315    HA   ASN  46           HA       ASN  46  31.251  14.744  18.444
  316    HB2  ASN  46           HB2      ASN  46  31.362  12.727  16.331
  317    HB3  ASN  46           HB1      ASN  46  31.159  12.028  17.937
  318   HD21  ASN  46          HD21      ASN  46  29.925  15.118  16.538
  319   HD22  ASN  46          HD22      ASN  46  28.295  14.781  16.871
  320    H    GLY  47           HN       GLY  47  32.752  15.104  20.080
  321    HA2  GLY  47           HA2      GLY  47  33.531  13.249  21.804
  322    HA3  GLY  47           HA1      GLY  47  34.802  13.082  20.596
  323    H    LEU  48           HN       LEU  48  34.880  15.883  19.889
  324    HA   LEU  48           HA       LEU  48  36.353  16.870  22.237
  325    HB2  LEU  48           HB2      LEU  48  36.415  17.996  19.434
  326    HB3  LEU  48           HB1      LEU  48  37.580  18.255  20.733
  327    HG   LEU  48           HG       LEU  48  37.028  15.616  19.346
  328   HD11  LEU  48          HD11      LEU  48  38.679  17.807  18.629
  329   HD12  LEU  48          HD12      LEU  48  38.656  16.199  17.905
  330   HD13  LEU  48          HD13      LEU  48  39.750  16.548  19.243
  331   HD21  LEU  48          HD21      LEU  48  39.246  15.129  20.714
  332   HD22  LEU  48          HD22      LEU  48  37.669  14.955  21.482
  333   HD23  LEU  48          HD23      LEU  48  38.627  16.411  21.756
  334    H    VAL  49           HN       VAL  49  33.319  17.052  21.282
  335    HA   VAL  49           HA       VAL  49  33.010  19.964  21.544
  336    HB   VAL  49           HB       VAL  49  31.062  17.780  20.775
  337   HG11  VAL  49          HG11      VAL  49  30.697  20.722  21.329
  338   HG12  VAL  49          HG12      VAL  49  29.719  19.367  21.891
  339   HG13  VAL  49          HG13      VAL  49  29.636  19.873  20.203
  340   HG21  VAL  49          HG21      VAL  49  31.485  20.008  18.943
  341   HG22  VAL  49          HG22      VAL  49  31.625  18.276  18.642
  342   HG23  VAL  49          HG23      VAL  49  32.995  19.169  19.301
  343    H    LEU  50           HN       LEU  50  32.614  17.005  23.283
  344    HA   LEU  50           HA       LEU  50  30.972  18.315  25.342
  345    HB2  LEU  50           HB2      LEU  50  30.670  16.067  26.259
  346    HB3  LEU  50           HB1      LEU  50  30.256  16.086  24.544
  347    HG   LEU  50           HG       LEU  50  33.001  15.549  24.591
  348   HD11  LEU  50          HD11      LEU  50  31.554  13.888  26.678
  349   HD12  LEU  50          HD12      LEU  50  32.795  15.093  27.024
  350   HD13  LEU  50          HD13      LEU  50  33.208  13.638  26.117
  351   HD21  LEU  50          HD21      LEU  50  32.258  13.288  23.842
  352   HD22  LEU  50          HD22      LEU  50  31.368  14.583  23.041
  353   HD23  LEU  50          HD23      LEU  50  30.618  13.682  24.359
  354    H    TRP  51           HN       TRP  51  34.197  17.533  24.622
  355    HA   TRP  51           HA       TRP  51  35.068  17.266  27.381
  356    HB2  TRP  51           HB2      TRP  51  36.526  16.038  26.127
  357    HB3  TRP  51           HB1      TRP  51  36.317  17.052  24.699
  358    HD1  TRP  51           HD1      TRP  51  37.879  17.388  28.230
  359    HE1  TRP  51           HE1      TRP  51  40.013  18.818  28.024
  360    HE3  TRP  51           HE3      TRP  51  37.732  18.482  23.243
  361    HZ2  TRP  51           HZ2      TRP  51  41.467  20.239  26.011
  362    HZ3  TRP  51           HZ3      TRP  51  39.502  19.875  22.210
  363    HH2  TRP  51           HH2      TRP  51  41.368  20.753  23.586
  364    H    THR  52           HN       THR  52  36.234  19.432  24.803
  365    HA   THR  52           HA       THR  52  37.367  21.373  26.389
  366    HB   THR  52           HB       THR  52  37.384  21.207  23.843
  367    HG1  THR  52           HG1      THR  52  36.862  23.813  24.168
  368   HG21  THR  52          HG21      THR  52  34.994  23.022  23.961
  369   HG22  THR  52          HG22      THR  52  34.769  21.275  23.877
  370   HG23  THR  52          HG23      THR  52  35.633  22.115  22.590
  371    H    VAL  53           HN       VAL  53  34.016  20.686  25.938
  372    HA   VAL  53           HA       VAL  53  33.104  23.273  26.890
  373    HB   VAL  53           HB       VAL  53  31.767  20.713  26.062
  374   HG11  VAL  53          HG11      VAL  53  30.439  21.209  27.942
  375   HG12  VAL  53          HG12      VAL  53  29.602  22.038  26.630
  376   HG13  VAL  53          HG13      VAL  53  30.631  22.950  27.733
  377   HG21  VAL  53          HG21      VAL  53  30.786  22.097  24.388
  378   HG22  VAL  53          HG22      VAL  53  32.468  22.615  24.481
  379   HG23  VAL  53          HG23      VAL  53  31.206  23.574  25.254
  380    H    PHE  54           HN       PHE  54  33.827  20.124  28.190
  381    HA   PHE  54           HA       PHE  54  32.398  20.415  30.646
  382    HB2  PHE  54           HB2      PHE  54  33.375  18.268  29.553
  383    HB3  PHE  54           HB1      PHE  54  34.879  18.743  30.343
  384    HD1  PHE  54           HD1      PHE  54  31.322  17.852  30.923
  385    HD2  PHE  54           HD2      PHE  54  35.160  18.559  32.718
  386    HE1  PHE  54           HE1      PHE  54  30.487  16.935  33.070
  387    HE2  PHE  54           HE2      PHE  54  34.325  17.641  34.865
  388    HZ   PHE  54           HZ       PHE  54  31.989  16.829  35.041
  389    H    ARG  55           HN       ARG  55  34.605  22.402  29.533
  390    HA   ARG  55           HA       ARG  55  36.175  22.625  32.014
  391    HB2  ARG  55           HB2      ARG  55  36.601  23.497  29.186
  392    HB3  ARG  55           HB1      ARG  55  37.369  24.414  30.482
  393    HG2  ARG  55           HG2      ARG  55  38.846  22.605  29.651
  394    HG3  ARG  55           HG1      ARG  55  38.410  22.362  31.344
  395    HD2  ARG  55           HD2      ARG  55  36.912  20.628  30.843
  396    HD3  ARG  55           HD1      ARG  55  36.751  21.125  29.160
  397    HE   ARG  55           HE       ARG  55  38.711  19.949  28.665
  398   HH11  ARG  55          HH21      ARG  55  38.186  20.219  32.075
  399   HH12  ARG  55          HH22      ARG  55  39.424  19.082  32.494
  400   HH21  ARG  55          HH11      ARG  55  40.337  18.459  29.208
  401   HH22  ARG  55          HH12      ARG  55  40.642  18.086  30.871
  402    H    LYS  56           HN       LYS  56  34.223  24.588  29.758
  403    HA   LYS  56           HA       LYS  56  34.296  26.916  31.397
  404    HB2  LYS  56           HB2      LYS  56  32.608  27.814  29.918
  405    HB3  LYS  56           HB1      LYS  56  33.852  26.997  28.976
  406    HG2  LYS  56           HG2      LYS  56  32.033  24.973  29.548
  407    HG3  LYS  56           HG1      LYS  56  31.006  26.373  29.238
  408    HD2  LYS  56           HD2      LYS  56  33.259  25.522  27.405
  409    HD3  LYS  56           HD1      LYS  56  31.585  25.021  27.184
  410    HE2  LYS  56           HE2      LYS  56  32.604  27.877  27.208
  411    HE3  LYS  56           HE1      LYS  56  32.027  26.986  25.800
  412    HZ1  LYS  56           HZ1      LYS  56  30.532  28.247  27.929
  413    HZ2  LYS  56           HZ2      LYS  56  29.976  26.702  27.493
  414    HZ3  LYS  56           HZ3      LYS  56  30.082  27.932  26.326
  415    H    LYS  57           HN       LYS  57  32.402  24.039  31.411
  416    HA   LYS  57           HA       LYS  57  30.118  25.065  32.768
  417    HB2  LYS  57           HB2      LYS  57  30.192  22.915  31.467
  418    HB3  LYS  57           HB1      LYS  57  31.139  22.221  32.782
  419    HG2  LYS  57           HG2      LYS  57  28.943  23.471  34.023
  420    HG3  LYS  57           HG1      LYS  57  28.276  22.632  32.623
  421    HD2  LYS  57           HD2      LYS  57  30.093  21.378  34.704
  422    HD3  LYS  57           HD1      LYS  57  28.345  21.162  34.619
  423    HE2  LYS  57           HE2      LYS  57  29.325  20.614  32.027
  424    HE3  LYS  57           HE1      LYS  57  30.408  19.784  33.144
  425    HZ1  LYS  57           HZ1      LYS  57  28.694  18.280  32.805
  426    HZ2  LYS  57           HZ2      LYS  57  27.489  19.477  32.831
  427    HZ3  LYS  57           HZ3      LYS  57  28.266  19.017  34.272
  428    H    GLY  58           HN       GLY  58  32.460  26.025  34.008
  429    HA2  GLY  58           HA2      GLY  58  33.112  24.519  36.351
  430    HA3  GLY  58           HA1      GLY  58  33.512  26.208  36.056
  431    H    HIS  59           HN       HIS  59  30.816  24.077  36.960
  432    HA   HIS  59           HA       HIS  59  28.914  24.475  38.204
  433    HB2  HIS  59           HB2      HIS  59  30.957  26.113  39.723
  434    HB3  HIS  59           HB1      HIS  59  29.365  25.675  40.343
  435    HD2  HIS  59           HD2      HIS  59  30.755  22.734  38.372
  436    HE1  HIS  59           HE1      HIS  59  31.861  22.031  42.384
  437    HE2  HIS  59           HE2      HIS  59  31.700  20.994  40.072
  438    H    HIS  60           HN       HIS  60  29.802  26.529  36.052
  439    HA   HIS  60           HA       HIS  60  28.426  28.927  37.001
  440    HB2  HIS  60           HB2      HIS  60  30.357  28.296  34.913
  441    HB3  HIS  60           HB1      HIS  60  29.028  29.287  34.312
  442    HD2  HIS  60           HD2      HIS  60  30.954  29.559  37.801
  443    HE1  HIS  60           HE1      HIS  60  30.902  33.342  35.926
  444    HE2  HIS  60           HE2      HIS  60  31.619  32.076  38.007
  445    H    HIS  61           HN       HIS  61  27.251  26.134  36.186
  446    HA   HIS  61           HA       HIS  61  25.404  25.327  35.062
  447    HB2  HIS  61           HB2      HIS  61  24.549  27.076  36.795
  448    HB3  HIS  61           HB1      HIS  61  24.217  28.068  35.374
  449    HD2  HIS  61           HD2      HIS  61  23.400  25.054  33.698
  450    HE1  HIS  61           HE1      HIS  61  20.047  25.431  36.236
  451    HE2  HIS  61           HE2      HIS  61  20.953  24.270  34.169
  452    H    HIS  62           HN       HIS  62  23.578  27.367  33.678
  453    HA   HIS  62           HA       HIS  62  24.605  26.962  31.041
  454    HB2  HIS  62           HB2      HIS  62  22.154  27.115  31.722
  455    HB3  HIS  62           HB1      HIS  62  22.388  28.860  31.815
  456    HD2  HIS  62           HD2      HIS  62  20.540  28.744  29.450
  457    HE1  HIS  62           HE1      HIS  62  23.708  27.763  26.837
  458    HE2  HIS  62           HE2      HIS  62  21.302  28.567  26.959
  459    H    HIS  63           HN       HIS  63  23.720  30.035  32.630
  460    HA   HIS  63           HA       HIS  63  26.243  31.249  31.879
  461    HB2  HIS  63           HB2      HIS  63  25.389  32.885  30.376
  462    HB3  HIS  63           HB1      HIS  63  24.761  31.338  29.806
  463    HD2  HIS  63           HD2      HIS  63  23.269  34.629  30.027
  464    HE1  HIS  63           HE1      HIS  63  20.225  32.192  31.648
  465    HE2  HIS  63           HE2      HIS  63  20.746  34.485  30.688
  466    H    HIS  64           HN       HIS  64  25.144  30.816  34.380
  467    HA   HIS  64           HA       HIS  64  23.557  32.825  35.472
  468    HB2  HIS  64           HB2      HIS  64  23.933  31.604  37.310
  469    HB3  HIS  64           HB1      HIS  64  25.173  30.697  36.445
  470    HD2  HIS  64           HD2      HIS  64  27.850  31.607  36.899
  471    HE1  HIS  64           HE1      HIS  64  26.839  34.312  39.978
  472    HE2  HIS  64           HE2      HIS  64  28.764  33.159  38.789
  Start of MODEL   33
    1    H1   MET   1           HT1      MET   1  44.254   0.046  28.473
    2    H2   MET   1           HT2      MET   1  44.143  -0.756  29.967
    3    H3   MET   1           HT3      MET   1  44.738  -1.574  28.602
    4    HA   MET   1           HA       MET   1  46.116   0.096  30.465
    5    HB2  MET   1           HB2      MET   1  47.058  -1.666  28.182
    6    HB3  MET   1           HB1      MET   1  48.045  -1.085  29.524
    7    HG2  MET   1           HG2      MET   1  47.457  -2.992  30.589
    8    HG3  MET   1           HG1      MET   1  45.870  -2.250  30.794
    9    HE1  MET   1           HE1      MET   1  48.097  -4.740  29.012
   10    HE2  MET   1           HE2      MET   1  46.897  -5.984  28.674
   11    HE3  MET   1           HE3      MET   1  47.116  -5.406  30.324
   12    H    GLU   2           HN       GLU   2  45.350   2.203  29.617
   13    HA   GLU   2           HA       GLU   2  46.457   3.027  27.043
   14    HB2  GLU   2           HB2      GLU   2  44.146   3.706  27.951
   15    HB3  GLU   2           HB1      GLU   2  45.028   4.807  29.009
   16    HG2  GLU   2           HG2      GLU   2  44.495   6.087  27.072
   17    HG3  GLU   2           HG1      GLU   2  46.198   5.664  26.902
   18    H    GLU   3           HN       GLU   3  48.699   2.770  27.667
   19    HA   GLU   3           HA       GLU   3  49.942   4.067  29.813
   20    HB2  GLU   3           HB2      GLU   3  50.785   2.846  27.275
   21    HB3  GLU   3           HB1      GLU   3  51.861   4.118  27.856
   22    HG2  GLU   3           HG2      GLU   3  52.164   3.015  29.967
   23    HG3  GLU   3           HG1      GLU   3  50.876   1.862  29.618
   24    H    GLY   4           HN       GLY   4  49.765   6.171  30.261
   25    HA2  GLY   4           HA2      GLY   4  50.754   8.147  28.435
   26    HA3  GLY   4           HA1      GLY   4  49.005   8.241  28.616
   27    H    GLY   5           HN       GLY   5  51.549   7.460  30.980
   28    HA2  GLY   5           HA2      GLY   5  50.437   9.534  32.755
   29    HA3  GLY   5           HA1      GLY   5  51.413   8.161  33.268
   30    H    ASP   6           HN       ASP   6  52.587   9.929  34.423
   31    HA   ASP   6           HA       ASP   6  54.279  11.499  34.609
   32    HB2  ASP   6           HB2      ASP   6  55.266   9.142  33.806
   33    HB3  ASP   6           HB1      ASP   6  55.754  10.123  32.424
   34    H    PHE   7           HN       PHE   7  52.204  11.929  32.426
   35    HA   PHE   7           HA       PHE   7  51.786  13.488  30.793
   36    HB2  PHE   7           HB2      PHE   7  54.394  14.852  31.253
   37    HB3  PHE   7           HB1      PHE   7  52.780  15.539  31.068
   38    HD1  PHE   7           HD2      PHE   7  51.193  14.071  33.034
   39    HD2  PHE   7           HD1      PHE   7  55.199  15.590  33.334
   40    HE1  PHE   7           HE2      PHE   7  50.960  14.197  35.499
   41    HE2  PHE   7           HE1      PHE   7  54.966  15.716  35.800
   42    HZ   PHE   7           HZ       PHE   7  52.846  15.020  36.882
   43    H    ASP   8           HN       ASP   8  51.925  13.134  28.678
   44    HA   ASP   8           HA       ASP   8  54.431  13.063  27.285
   45    HB2  ASP   8           HB2      ASP   8  54.703  10.830  27.827
   46    HB3  ASP   8           HB1      ASP   8  52.968  10.530  27.901
   47    H    ASN   9           HN       ASN   9  53.633  14.609  25.921
   48    HA   ASN   9           HA       ASN   9  51.387  13.780  24.183
   49    HB2  ASN   9           HB2      ASN   9  50.499  15.512  25.563
   50    HB3  ASN   9           HB1      ASN   9  51.951  16.494  25.378
   51   HD21  ASN   9          HD21      ASN   9  49.505  14.920  23.225
   52   HD22  ASN   9          HD22      ASN   9  49.396  16.237  22.159
   53    H    TYR  10           HN       TYR  10  54.577  15.012  24.490
   54    HA   TYR  10           HA       TYR  10  56.226  15.400  22.952
   55    HB2  TYR  10           HB2      TYR  10  54.422  13.649  21.584
   56    HB3  TYR  10           HB1      TYR  10  54.969  14.884  20.452
   57    HD1  TYR  10           HD1      TYR  10  56.467  12.946  23.299
   58    HD2  TYR  10           HD2      TYR  10  56.868  14.288  19.237
   59    HE1  TYR  10           HE1      TYR  10  58.663  11.808  23.140
   60    HE2  TYR  10           HE2      TYR  10  59.064  13.150  19.079
   61    HH   TYR  10           HH       TYR  10  60.321  11.197  21.773
   62    H    TYR  11           HN       TYR  11  52.998  16.524  22.037
   63    HA   TYR  11           HA       TYR  11  52.274  18.498  21.114
   64    HB2  TYR  11           HB2      TYR  11  53.664  19.133  23.295
   65    HB3  TYR  11           HB1      TYR  11  54.709  19.905  22.100
   66    HD1  TYR  11           HD2      TYR  11  53.889  21.742  20.697
   67    HD2  TYR  11           HD1      TYR  11  51.377  19.900  23.654
   68    HE1  TYR  11           HE2      TYR  11  52.291  23.629  20.514
   69    HE2  TYR  11           HE1      TYR  11  49.779  21.788  23.472
   70    HH   TYR  11           HH       TYR  11  49.225  23.543  21.506
   71    H    GLY  12           HN       GLY  12  52.907  20.351  19.636
   72    HA2  GLY  12           HA2      GLY  12  53.568  20.819  17.462
   73    HA3  GLY  12           HA1      GLY  12  55.170  20.685  18.181
   74    H    ALA  13           HN       ALA  13  52.980  17.968  17.999
   75    HA   ALA  13           HA       ALA  13  54.911  16.358  16.638
   76    HB1  ALA  13           HB1      ALA  13  52.061  15.512  16.719
   77    HB2  ALA  13           HB2      ALA  13  52.872  15.754  18.266
   78    HB3  ALA  13           HB3      ALA  13  53.521  14.599  17.101
   79    H    ASP  14           HN       ASP  14  53.092  14.898  14.940
   80    HA   ASP  14           HA       ASP  14  52.668  14.828  12.673
   81    HB2  ASP  14           HB2      ASP  14  50.720  16.170  13.841
   82    HB3  ASP  14           HB1      ASP  14  51.382  17.516  12.916
   83    H    ASN  15           HN       ASN  15  55.036  16.533  13.744
   84    HA   ASN  15           HA       ASN  15  55.420  18.325  11.453
   85    HB2  ASN  15           HB2      ASN  15  55.941  18.915  13.931
   86    HB3  ASN  15           HB1      ASN  15  57.388  17.940  13.690
   87   HD21  ASN  15          HD21      ASN  15  56.994  20.982  13.987
   88   HD22  ASN  15          HD22      ASN  15  57.807  21.629  12.645
   89    H    GLN  16           HN       GLN  16  56.710  15.401  12.924
   90    HA   GLN  16           HA       GLN  16  58.606  15.114  10.678
   91    HB2  GLN  16           HB2      GLN  16  58.693  13.272  13.012
   92    HB3  GLN  16           HB1      GLN  16  60.016  13.963  12.072
   93    HG2  GLN  16           HG2      GLN  16  59.316  16.223  13.108
   94    HG3  GLN  16           HG1      GLN  16  58.398  15.260  14.264
   95   HE21  GLN  16          HE21      GLN  16  61.658  16.134  13.224
   96   HE22  GLN  16          HE22      GLN  16  62.461  15.400  14.527
   97    H    SER  17           HN       SER  17  55.860  14.640  10.241
   98    HA   SER  17           HA       SER  17  55.960  11.775   9.583
   99    HB2  SER  17           HB2      SER  17  53.751  13.180  11.078
  100    HB3  SER  17           HB1      SER  17  53.473  11.688  10.182
  101    HG   SER  17           HG       SER  17  54.102  10.876  12.047
  102    H    GLU  18           HN       GLU  18  54.253  11.194   7.969
  103    HA   GLU  18           HA       GLU  18  54.416  12.777   5.687
  104    HB2  GLU  18           HB2      GLU  18  52.649  11.366   4.765
  105    HB3  GLU  18           HB1      GLU  18  53.786  10.381   5.686
  106    HG2  GLU  18           HG2      GLU  18  52.056  11.007   7.657
  107    HG3  GLU  18           HG1      GLU  18  50.954  11.060   6.281
  108    H    CYS  19           HN       CYS  19  53.744  14.832   5.577
  109    HA   CYS  19           HA       CYS  19  51.255  15.632   6.900
  110    HB2  CYS  19           HB2      CYS  19  53.358  17.006   7.095
  111    HB3  CYS  19           HB1      CYS  19  53.208  17.364   5.374
  112    HG   CYS  19           HG       CYS  19  51.177  18.800   5.820
  113    H    GLU  20           HN       GLU  20  52.749  16.134   3.692
  114    HA   GLU  20           HA       GLU  20  50.190  15.553   2.410
  115    HB2  GLU  20           HB2      GLU  20  51.595  18.220   2.121
  116    HB3  GLU  20           HB1      GLU  20  50.263  17.669   1.104
  117    HG2  GLU  20           HG2      GLU  20  48.928  17.344   3.252
  118    HG3  GLU  20           HG1      GLU  20  50.212  18.228   4.075
  119    H    TYR  21           HN       TYR  21  52.741  14.225   2.469
  120    HA   TYR  21           HA       TYR  21  53.778  14.691  -0.251
  121    HB2  TYR  21           HB2      TYR  21  55.131  12.724   1.479
  122    HB3  TYR  21           HB1      TYR  21  55.812  14.016   0.490
  123    HD1  TYR  21           HD2      TYR  21  54.577  16.433   1.431
  124    HD2  TYR  21           HD1      TYR  21  55.839  13.007   3.694
  125    HE1  TYR  21           HE2      TYR  21  54.822  17.855   3.447
  126    HE2  TYR  21           HE1      TYR  21  56.086  14.430   5.710
  127    HH   TYR  21           HH       TYR  21  55.932  16.473   6.546
  128    H    THR  22           HN       THR  22  51.419  12.957   1.103
  129    HA   THR  22           HA       THR  22  51.372  11.014  -1.009
  130    HB   THR  22           HB       THR  22  52.717   9.560   0.154
  131    HG1  THR  22           HG1      THR  22  51.038   8.537   1.809
  132   HG21  THR  22          HG21      THR  22  52.493   9.500   2.773
  133   HG22  THR  22          HG22      THR  22  51.767  11.092   2.553
  134   HG23  THR  22          HG23      THR  22  53.416  10.791   2.004
  135    H    ASP  23           HN       ASP  23  50.141  11.824   2.228
  136    HA   ASP  23           HA       ASP  23  47.531  10.737   1.713
  137    HB2  ASP  23           HB2      ASP  23  46.969  12.042   3.842
  138    HB3  ASP  23           HB1      ASP  23  48.182  10.771   3.987
  139    H    TRP  24           HN       TRP  24  48.575  12.768  -0.176
  140    HA   TRP  24           HA       TRP  24  46.292  14.632  -0.018
  141    HB2  TRP  24           HB2      TRP  24  47.581  16.507  -0.359
  142    HB3  TRP  24           HB1      TRP  24  48.717  15.541   0.583
  143    HD1  TRP  24           HD1      TRP  24  50.707  14.338  -0.728
  144    HE1  TRP  24           HE1      TRP  24  51.795  14.836  -3.013
  145    HE3  TRP  24           HE3      TRP  24  47.140  17.373  -2.763
  146    HZ2  TRP  24           HZ2      TRP  24  51.227  16.324  -5.388
  147    HZ3  TRP  24           HZ3      TRP  24  47.438  18.315  -5.035
  148    HH2  TRP  24           HH2      TRP  24  49.476  17.795  -6.348
  149    H    LYS  25           HN       LYS  25  47.518  12.150  -1.630
  150    HA   LYS  25           HA       LYS  25  47.905  12.699  -4.268
  151    HB2  LYS  25           HB2      LYS  25  46.933  10.447  -2.749
  152    HB3  LYS  25           HB1      LYS  25  46.070  10.563  -4.283
  153    HG2  LYS  25           HG2      LYS  25  48.112   9.219  -4.552
  154    HG3  LYS  25           HG1      LYS  25  48.234  10.715  -5.479
  155    HD2  LYS  25           HD2      LYS  25  50.048  11.353  -4.312
  156    HD3  LYS  25           HD1      LYS  25  49.189  11.143  -2.786
  157    HE2  LYS  25           HE2      LYS  25  51.240   9.685  -3.037
  158    HE3  LYS  25           HE1      LYS  25  49.751   8.800  -2.705
  159    HZ1  LYS  25           HZ1      LYS  25  49.981   7.711  -4.601
  160    HZ2  LYS  25           HZ2      LYS  25  51.468   8.490  -4.867
  161    HZ3  LYS  25           HZ3      LYS  25  50.033   9.159  -5.484
  162    H    SER  26           HN       SER  26  46.874  14.143  -5.495
  163    HA   SER  26           HA       SER  26  43.954  14.425  -5.235
  164    HB2  SER  26           HB2      SER  26  45.726  16.229  -6.859
  165    HB3  SER  26           HB1      SER  26  44.164  16.583  -6.125
  166    HG   SER  26           HG       SER  26  46.410  15.859  -4.572
  167    H    SER  27           HN       SER  27  43.288  12.628  -6.432
  168    HA   SER  27           HA       SER  27  44.266  12.135  -9.095
  169    HB2  SER  27           HB2      SER  27  42.501  10.834  -7.195
  170    HB3  SER  27           HB1      SER  27  41.810  10.830  -8.816
  171    HG   SER  27           HG       SER  27  43.296   9.470  -9.409
  172    H    GLY  28           HN       GLY  28  40.873  12.608  -8.152
  173    HA2  GLY  28           HA2      GLY  28  40.233  13.790 -10.692
  174    HA3  GLY  28           HA1      GLY  28  39.138  13.592  -9.326
  175    H    ALA  29           HN       ALA  29  41.560  14.990  -7.835
  176    HA   ALA  29           HA       ALA  29  42.237  17.149  -7.339
  177    HB1  ALA  29           HB1      ALA  29  41.781  17.427  -9.957
  178    HB2  ALA  29           HB2      ALA  29  42.095  18.811  -8.910
  179    HB3  ALA  29           HB3      ALA  29  40.439  18.399  -9.353
  180    H    LEU  30           HN       LEU  30  40.142  15.828  -6.019
  181    HA   LEU  30           HA       LEU  30  38.789  18.108  -4.868
  182    HB2  LEU  30           HB2      LEU  30  36.549  17.465  -5.284
  183    HB3  LEU  30           HB1      LEU  30  37.357  17.367  -6.846
  184    HG   LEU  30           HG       LEU  30  36.669  15.066  -4.993
  185   HD11  LEU  30          HD11      LEU  30  35.362  14.307  -6.933
  186   HD12  LEU  30          HD12      LEU  30  35.881  15.725  -7.845
  187   HD13  LEU  30          HD13      LEU  30  34.849  15.917  -6.427
  188   HD21  LEU  30          HD21      LEU  30  38.445  15.208  -7.436
  189   HD22  LEU  30          HD22      LEU  30  37.665  13.707  -6.943
  190   HD23  LEU  30          HD23      LEU  30  38.814  14.498  -5.866
  191    H    ILE  31           HN       ILE  31  40.583  15.654  -4.304
  192    HA   ILE  31           HA       ILE  31  39.112  14.069  -2.438
  193    HB   ILE  31           HB       ILE  31  41.925  14.268  -3.340
  194   HG12  ILE  31          HG12      ILE  31  40.364  11.847  -2.454
  195   HG13  ILE  31          HG11      ILE  31  40.055  12.612  -4.014
  196   HG21  ILE  31          HG21      ILE  31  41.161  13.296  -0.572
  197   HG22  ILE  31          HG22      ILE  31  42.408  14.475  -0.994
  198   HG23  ILE  31          HG23      ILE  31  42.624  12.775  -1.403
  199   HD11  ILE  31          HD11      ILE  31  41.699  10.793  -4.252
  200   HD12  ILE  31          HD12      ILE  31  42.738  11.571  -3.059
  201   HD13  ILE  31          HD13      ILE  31  42.438  12.352  -4.612
  202    HA   PRO  32           HA       PRO  32  41.372  17.040   0.725
  203    HB2  PRO  32           HB2      PRO  32  41.032  19.610  -0.698
  204    HB3  PRO  32           HB1      PRO  32  42.436  18.991   0.189
  205    HG2  PRO  32           HG2      PRO  32  42.392  19.177  -2.486
  206    HG3  PRO  32           HG1      PRO  32  43.275  17.900  -1.631
  207    HD2  PRO  32           HD2      PRO  32  40.667  17.736  -3.092
  208    HD3  PRO  32           HD1      PRO  32  41.961  16.528  -2.947
  209    H    ALA  33           HN       ALA  33  38.631  17.539  -1.297
  210    HA   ALA  33           HA       ALA  33  37.175  19.150   0.642
  211    HB1  ALA  33           HB1      ALA  33  36.717  19.696  -1.629
  212    HB2  ALA  33           HB2      ALA  33  35.294  18.830  -1.047
  213    HB3  ALA  33           HB3      ALA  33  36.476  18.003  -2.062
  214    H    ILE  34           HN       ILE  34  35.956  16.333  -1.118
  215    HA   ILE  34           HA       ILE  34  34.132  15.434   0.689
  216    HB   ILE  34           HB       ILE  34  35.041  13.045  -0.196
  217   HG12  ILE  34          HG12      ILE  34  35.844  14.932  -2.405
  218   HG13  ILE  34          HG11      ILE  34  37.022  14.418  -1.196
  219   HG21  ILE  34          HG21      ILE  34  33.550  13.415  -2.152
  220   HG22  ILE  34          HG22      ILE  34  33.542  15.143  -1.794
  221   HG23  ILE  34          HG23      ILE  34  32.833  14.003  -0.651
  222   HD11  ILE  34          HD11      ILE  34  35.322  12.451  -2.741
  223   HD12  ILE  34          HD12      ILE  34  36.765  12.118  -1.784
  224   HD13  ILE  34          HD13      ILE  34  36.901  12.989  -3.311
  225    H    TYR  35           HN       TYR  35  37.617  15.004   0.838
  226    HA   TYR  35           HA       TYR  35  37.570  13.123   3.004
  227    HB2  TYR  35           HB2      TYR  35  39.475  13.369   1.400
  228    HB3  TYR  35           HB1      TYR  35  39.837  14.930   2.138
  229    HD1  TYR  35           HD2      TYR  35  40.694  15.084   4.424
  230    HD2  TYR  35           HD1      TYR  35  39.835  11.280   2.620
  231    HE1  TYR  35           HE2      TYR  35  41.958  13.943   6.227
  232    HE2  TYR  35           HE1      TYR  35  41.099  10.139   4.423
  233    HH   TYR  35           HH       TYR  35  43.031  10.842   6.039
  234    H    MET  36           HN       MET  36  37.891  16.631   2.726
  235    HA   MET  36           HA       MET  36  38.563  17.167   5.415
  236    HB2  MET  36           HB2      MET  36  38.876  18.926   3.856
  237    HB3  MET  36           HB1      MET  36  37.215  18.810   3.274
  238    HG2  MET  36           HG2      MET  36  36.339  19.872   5.147
  239    HG3  MET  36           HG1      MET  36  37.694  19.405   6.174
  240    HE1  MET  36           HE1      MET  36  40.572  21.532   5.225
  241    HE2  MET  36           HE2      MET  36  39.974  19.935   5.670
  242    HE3  MET  36           HE3      MET  36  39.692  21.304   6.743
  243    H    LEU  37           HN       LEU  37  35.475  16.684   3.789
  244    HA   LEU  37           HA       LEU  37  33.871  17.495   6.027
  245    HB2  LEU  37           HB2      LEU  37  33.022  15.707   3.745
  246    HB3  LEU  37           HB1      LEU  37  32.004  16.748   4.742
  247    HG   LEU  37           HG       LEU  37  34.162  17.684   2.828
  248   HD11  LEU  37          HD11      LEU  37  32.543  17.800   1.268
  249   HD12  LEU  37          HD12      LEU  37  31.493  18.693   2.369
  250   HD13  LEU  37          HD13      LEU  37  31.480  16.930   2.375
  251   HD21  LEU  37          HD21      LEU  37  34.144  19.305   4.522
  252   HD22  LEU  37          HD22      LEU  37  32.429  19.072   4.859
  253   HD23  LEU  37          HD23      LEU  37  32.933  19.931   3.404
  254    H    VAL  38           HN       VAL  38  35.998  15.296   6.259
  255    HA   VAL  38           HA       VAL  38  34.287  13.437   7.769
  256    HB   VAL  38           HB       VAL  38  36.515  12.564   5.914
  257   HG11  VAL  38          HG11      VAL  38  36.430  11.056   7.752
  258   HG12  VAL  38          HG12      VAL  38  35.468  10.288   6.489
  259   HG13  VAL  38          HG13      VAL  38  34.669  11.121   7.822
  260   HG21  VAL  38          HG21      VAL  38  34.678  11.520   4.618
  261   HG22  VAL  38          HG22      VAL  38  34.498  13.272   4.685
  262   HG23  VAL  38          HG23      VAL  38  33.501  12.245   5.714
  263    H    PHE  39           HN       PHE  39  37.073  15.348   7.502
  264    HA   PHE  39           HA       PHE  39  38.671  13.952   9.463
  265    HB2  PHE  39           HB2      PHE  39  39.911  15.214   7.889
  266    HB3  PHE  39           HB1      PHE  39  38.890  16.636   8.105
  267    HD1  PHE  39           HD1      PHE  39  41.256  14.391   9.936
  268    HD2  PHE  39           HD2      PHE  39  39.455  18.283   9.690
  269    HE1  PHE  39           HE1      PHE  39  42.762  15.202  11.732
  270    HE2  PHE  39           HE2      PHE  39  40.961  19.094  11.486
  271    HZ   PHE  39           HZ       PHE  39  42.615  17.553  12.507
  272    H    LEU  40           HN       LEU  40  37.054  17.140   9.437
  273    HA   LEU  40           HA       LEU  40  37.250  17.365  12.311
  274    HB2  LEU  40           HB2      LEU  40  36.009  19.475  11.984
  275    HB3  LEU  40           HB1      LEU  40  37.400  19.365  10.905
  276    HG   LEU  40           HG       LEU  40  35.371  18.153   9.449
  277   HD11  LEU  40          HD11      LEU  40  34.286  20.611  10.862
  278   HD12  LEU  40          HD12      LEU  40  33.710  18.960  11.091
  279   HD13  LEU  40          HD13      LEU  40  33.499  19.759   9.533
  280   HD21  LEU  40          HD21      LEU  40  36.293  21.047   9.423
  281   HD22  LEU  40          HD22      LEU  40  35.472  20.229   8.094
  282   HD23  LEU  40          HD23      LEU  40  37.080  19.705   8.592
  283    H    LEU  41           HN       LEU  41  35.439  15.391  10.566
  284    HA   LEU  41           HA       LEU  41  33.171  15.544  12.446
  285    HB2  LEU  41           HB2      LEU  41  33.088  15.915   9.575
  286    HB3  LEU  41           HB1      LEU  41  32.125  14.519  10.056
  287    HG   LEU  41           HG       LEU  41  31.926  17.231  11.391
  288   HD11  LEU  41          HD11      LEU  41  29.926  17.608  10.081
  289   HD12  LEU  41          HD12      LEU  41  30.046  16.007   9.352
  290   HD13  LEU  41          HD13      LEU  41  31.241  17.245   8.965
  291   HD21  LEU  41          HD21      LEU  41  29.604  15.507  11.519
  292   HD22  LEU  41          HD22      LEU  41  30.549  16.190  12.842
  293   HD23  LEU  41          HD23      LEU  41  31.025  14.654  12.120
  294    H    GLY  42           HN       GLY  42  35.723  13.817  11.463
  295    HA2  GLY  42           HA2      GLY  42  34.484  11.195  11.258
  296    HA3  GLY  42           HA1      GLY  42  36.210  11.545  11.222
  297    H    THR  43           HN       THR  43  36.365  13.053  13.617
  298    HA   THR  43           HA       THR  43  35.390  11.282  15.735
  299    HB   THR  43           HB       THR  43  37.671  10.470  14.905
  300    HG1  THR  43           HG1      THR  43  38.441  10.475  17.186
  301   HG21  THR  43          HG21      THR  43  39.599  11.741  15.409
  302   HG22  THR  43          HG22      THR  43  38.701  12.846  16.451
  303   HG23  THR  43          HG23      THR  43  38.484  12.910  14.701
  304    H    THR  44           HN       THR  44  37.182  14.193  14.819
  305    HA   THR  44           HA       THR  44  37.241  15.457  17.323
  306    HB   THR  44           HB       THR  44  37.264  16.473  14.491
  307    HG1  THR  44           HG1      THR  44  39.125  15.516  15.440
  308   HG21  THR  44          HG21      THR  44  37.889  18.707  15.670
  309   HG22  THR  44          HG22      THR  44  37.025  18.035  17.053
  310   HG23  THR  44          HG23      THR  44  36.184  18.285  15.524
  311    H    GLY  45           HN       GLY  45  34.669  15.028  15.021
  312    HA2  GLY  45           HA2      GLY  45  32.953  16.960  16.417
  313    HA3  GLY  45           HA1      GLY  45  32.589  16.166  14.888
  314    H    ASN  46           HN       ASN  46  33.690  14.701  17.922
  315    HA   ASN  46           HA       ASN  46  31.049  13.472  18.294
  316    HB2  ASN  46           HB2      ASN  46  31.703  11.401  17.748
  317    HB3  ASN  46           HB1      ASN  46  33.187  12.105  17.107
  318   HD21  ASN  46          HD21      ASN  46  35.068  12.241  18.626
  319   HD22  ASN  46          HD22      ASN  46  35.159  11.166  19.937
  320    H    GLY  47           HN       GLY  47  34.271  14.176  19.531
  321    HA2  GLY  47           HA2      GLY  47  33.149  14.189  22.262
  322    HA3  GLY  47           HA1      GLY  47  34.681  13.383  21.936
  323    H    LEU  48           HN       LEU  48  35.997  14.693  23.139
  324    HA   LEU  48           HA       LEU  48  37.332  16.485  23.631
  325    HB2  LEU  48           HB2      LEU  48  36.503  17.528  20.915
  326    HB3  LEU  48           HB1      LEU  48  37.929  17.993  21.838
  327    HG   LEU  48           HG       LEU  48  37.355  15.197  20.811
  328   HD11  LEU  48          HD11      LEU  48  39.480  17.147  19.892
  329   HD12  LEU  48          HD12      LEU  48  37.924  16.971  19.081
  330   HD13  LEU  48          HD13      LEU  48  39.040  15.607  19.153
  331   HD21  LEU  48          HD21      LEU  48  39.520  16.424  22.500
  332   HD22  LEU  48          HD22      LEU  48  39.927  15.098  21.412
  333   HD23  LEU  48          HD23      LEU  48  38.721  14.862  22.675
  334    H    VAL  49           HN       VAL  49  34.718  18.019  21.730
  335    HA   VAL  49           HA       VAL  49  34.523  20.218  23.538
  336    HB   VAL  49           HB       VAL  49  33.943  20.311  21.101
  337   HG11  VAL  49          HG11      VAL  49  31.338  19.011  21.901
  338   HG12  VAL  49          HG12      VAL  49  32.680  18.068  21.255
  339   HG13  VAL  49          HG13      VAL  49  31.945  19.339  20.278
  340   HG21  VAL  49          HG21      VAL  49  31.394  21.182  22.104
  341   HG22  VAL  49          HG22      VAL  49  32.796  22.162  21.683
  342   HG23  VAL  49          HG23      VAL  49  32.624  21.528  23.318
  343    H    LEU  50           HN       LEU  50  34.125  17.532  24.727
  344    HA   LEU  50           HA       LEU  50  32.015  18.162  26.500
  345    HB2  LEU  50           HB2      LEU  50  30.442  16.346  25.905
  346    HB3  LEU  50           HB1      LEU  50  30.558  17.559  24.632
  347    HG   LEU  50           HG       LEU  50  32.568  15.791  23.953
  348   HD11  LEU  50          HD11      LEU  50  30.175  14.216  24.953
  349   HD12  LEU  50          HD12      LEU  50  31.781  14.205  25.682
  350   HD13  LEU  50          HD13      LEU  50  31.543  13.553  24.060
  351   HD21  LEU  50          HD21      LEU  50  29.672  16.014  23.101
  352   HD22  LEU  50          HD22      LEU  50  30.820  14.971  22.264
  353   HD23  LEU  50          HD23      LEU  50  31.090  16.712  22.317
  354    H    TRP  51           HN       TRP  51  34.146  15.775  25.073
  355    HA   TRP  51           HA       TRP  51  34.034  14.050  27.412
  356    HB2  TRP  51           HB2      TRP  51  34.330  12.736  25.537
  357    HB3  TRP  51           HB1      TRP  51  35.329  13.938  24.722
  358    HD1  TRP  51           HD1      TRP  51  35.842  12.375  28.219
  359    HE1  TRP  51           HE1      TRP  51  38.186  11.303  28.282
  360    HE3  TRP  51           HE3      TRP  51  37.298  13.154  23.388
  361    HZ2  TRP  51           HZ2      TRP  51  40.388  10.840  26.517
  362    HZ3  TRP  51           HZ3      TRP  51  39.521  12.390  22.606
  363    HH2  TRP  51           HH2      TRP  51  41.066  11.233  24.163
  364    H    THR  52           HN       THR  52  36.958  15.107  25.711
  365    HA   THR  52           HA       THR  52  38.601  15.110  27.957
  366    HB   THR  52           HB       THR  52  39.119  15.367  25.376
  367    HG1  THR  52           HG1      THR  52  40.567  15.143  27.245
  368   HG21  THR  52          HG21      THR  52  39.572  17.556  24.639
  369   HG22  THR  52          HG22      THR  52  39.536  18.212  26.274
  370   HG23  THR  52          HG23      THR  52  38.035  17.721  25.487
  371    H    VAL  53           HN       VAL  53  36.092  17.239  27.211
  372    HA   VAL  53           HA       VAL  53  37.230  19.498  28.680
  373    HB   VAL  53           HB       VAL  53  34.730  19.064  27.072
  374   HG11  VAL  53          HG11      VAL  53  33.788  20.227  28.885
  375   HG12  VAL  53          HG12      VAL  53  34.260  21.527  27.791
  376   HG13  VAL  53          HG13      VAL  53  35.266  21.141  29.187
  377   HG21  VAL  53          HG21      VAL  53  36.986  19.823  26.115
  378   HG22  VAL  53          HG22      VAL  53  36.747  21.318  27.019
  379   HG23  VAL  53          HG23      VAL  53  35.603  20.858  25.758
  380    H    PHE  54           HN       PHE  54  34.841  16.950  29.041
  381    HA   PHE  54           HA       PHE  54  33.604  17.974  31.395
  382    HB2  PHE  54           HB2      PHE  54  32.400  16.338  30.151
  383    HB3  PHE  54           HB1      PHE  54  33.755  15.210  30.188
  384    HD1  PHE  54           HD2      PHE  54  31.378  17.039  32.426
  385    HD2  PHE  54           HD1      PHE  54  33.928  13.620  31.913
  386    HE1  PHE  54           HE2      PHE  54  30.523  16.082  34.549
  387    HE2  PHE  54           HE1      PHE  54  33.073  12.663  34.034
  388    HZ   PHE  54           HZ       PHE  54  31.370  13.894  35.352
  389    H    ARG  55           HN       ARG  55  36.698  16.860  30.874
  390    HA   ARG  55           HA       ARG  55  37.009  15.640  33.519
  391    HB2  ARG  55           HB2      ARG  55  39.377  16.112  31.797
  392    HB3  ARG  55           HB1      ARG  55  38.928  14.687  32.732
  393    HG2  ARG  55           HG2      ARG  55  37.719  15.555  30.088
  394    HG3  ARG  55           HG1      ARG  55  38.773  14.168  30.353
  395    HD2  ARG  55           HD2      ARG  55  36.810  13.712  32.205
  396    HD3  ARG  55           HD1      ARG  55  35.893  14.472  30.908
  397    HE   ARG  55           HE       ARG  55  37.366  12.624  29.581
  398   HH11  ARG  55          HH21      ARG  55  35.393  12.527  32.422
  399   HH12  ARG  55          HH22      ARG  55  34.914  10.878  32.200
  400   HH21  ARG  55          HH11      ARG  55  36.742  10.461  29.282
  401   HH22  ARG  55          HH12      ARG  55  35.677   9.708  30.422
  402    H    LYS  56           HN       LYS  56  37.833  18.547  31.733
  403    HA   LYS  56           HA       LYS  56  39.576  19.581  33.794
  404    HB2  LYS  56           HB2      LYS  56  38.305  21.114  31.521
  405    HB3  LYS  56           HB1      LYS  56  39.773  21.522  32.411
  406    HG2  LYS  56           HG2      LYS  56  40.671  19.239  31.583
  407    HG3  LYS  56           HG1      LYS  56  39.346  19.297  30.419
  408    HD2  LYS  56           HD2      LYS  56  40.151  21.455  29.575
  409    HD3  LYS  56           HD1      LYS  56  41.450  21.453  30.768
  410    HE2  LYS  56           HE2      LYS  56  41.259  19.030  29.070
  411    HE3  LYS  56           HE1      LYS  56  41.754  20.507  28.245
  412    HZ1  LYS  56           HZ1      LYS  56  43.545  20.792  29.745
  413    HZ2  LYS  56           HZ2      LYS  56  43.602  19.176  29.223
  414    HZ3  LYS  56           HZ3      LYS  56  42.992  19.554  30.764
  415    H    LYS  57           HN       LYS  57  36.602  20.975  32.402
  416    HA   LYS  57           HA       LYS  57  35.085  22.431  33.365
  417    HB2  LYS  57           HB2      LYS  57  34.838  19.830  34.353
  418    HB3  LYS  57           HB1      LYS  57  34.729  20.857  35.782
  419    HG2  LYS  57           HG2      LYS  57  32.499  20.664  34.947
  420    HG3  LYS  57           HG1      LYS  57  33.050  22.269  34.472
  421    HD2  LYS  57           HD2      LYS  57  33.887  20.689  32.360
  422    HD3  LYS  57           HD1      LYS  57  32.338  19.969  32.797
  423    HE2  LYS  57           HE2      LYS  57  31.809  21.680  31.227
  424    HE3  LYS  57           HE1      LYS  57  31.400  22.353  32.805
  425    HZ1  LYS  57           HZ1      LYS  57  34.125  22.768  31.864
  426    HZ2  LYS  57           HZ2      LYS  57  33.104  23.810  32.735
  427    HZ3  LYS  57           HZ3      LYS  57  32.908  23.630  31.057
  428    H    GLY  58           HN       GLY  58  37.960  22.769  34.189
  429    HA2  GLY  58           HA2      GLY  58  38.079  23.477  36.933
  430    HA3  GLY  58           HA1      GLY  58  39.191  24.019  35.680
  431    H    HIS  59           HN       HIS  59  35.846  24.570  36.795
  432    HA   HIS  59           HA       HIS  59  34.544  26.472  36.781
  433    HB2  HIS  59           HB2      HIS  59  37.157  27.855  37.409
  434    HB3  HIS  59           HB1      HIS  59  35.534  28.359  37.880
  435    HD2  HIS  59           HD2      HIS  59  35.225  24.800  38.595
  436    HE1  HIS  59           HE1      HIS  59  37.292  26.220  41.991
  437    HE2  HIS  59           HE2      HIS  59  35.964  24.274  41.043
  438    H    HIS  60           HN       HIS  60  35.792  25.695  34.233
  439    HA   HIS  60           HA       HIS  60  35.028  27.900  32.660
  440    HB2  HIS  60           HB2      HIS  60  37.793  27.932  33.596
  441    HB3  HIS  60           HB1      HIS  60  37.674  27.954  31.836
  442    HD2  HIS  60           HD2      HIS  60  37.750  30.526  34.509
  443    HE1  HIS  60           HE1      HIS  60  35.126  32.156  31.631
  444    HE2  HIS  60           HE2      HIS  60  36.509  32.675  33.697
  445    H    HIS  61           HN       HIS  61  35.809  27.593  30.315
  446    HA   HIS  61           HA       HIS  61  35.305  24.854  29.596
  447    HB2  HIS  61           HB2      HIS  61  35.662  27.434  28.147
  448    HB3  HIS  61           HB1      HIS  61  35.933  25.944  27.244
  449    HD2  HIS  61           HD2      HIS  61  33.539  24.045  28.153
  450    HE1  HIS  61           HE1      HIS  61  30.948  27.327  27.572
  451    HE2  HIS  61           HE2      HIS  61  31.061  24.804  27.836
  452    H    HIS  62           HN       HIS  62  38.114  26.927  29.835
  453    HA   HIS  62           HA       HIS  62  39.884  24.662  29.666
  454    HB2  HIS  62           HB2      HIS  62  41.105  25.296  27.703
  455    HB3  HIS  62           HB1      HIS  62  39.403  25.218  27.249
  456    HD2  HIS  62           HD2      HIS  62  42.048  27.500  26.319
  457    HE1  HIS  62           HE1      HIS  62  38.904  30.163  27.243
  458    HE2  HIS  62           HE2      HIS  62  41.160  29.946  26.098
  459    H    HIS  63           HN       HIS  63  42.250  25.510  29.669
  460    HA   HIS  63           HA       HIS  63  42.660  28.156  30.734
  461    HB2  HIS  63           HB2      HIS  63  41.736  26.651  32.652
  462    HB3  HIS  63           HB1      HIS  63  43.348  25.935  32.634
  463    HD2  HIS  63           HD2      HIS  63  42.468  27.881  35.195
  464    HE1  HIS  63           HE1      HIS  63  45.100  30.673  33.435
  465    HE2  HIS  63           HE2      HIS  63  43.864  30.056  35.566
  466    H    HIS  64           HN       HIS  64  43.720  26.850  28.519
  467    HA   HIS  64           HA       HIS  64  46.161  25.526  28.920
  468    HB2  HIS  64           HB2      HIS  64  45.412  27.372  26.641
  469    HB3  HIS  64           HB1      HIS  64  46.679  26.146  26.618
  470    HD2  HIS  64           HD2      HIS  64  43.723  26.045  24.799
  471    HE1  HIS  64           HE1      HIS  64  43.174  22.548  27.099
  472    HE2  HIS  64           HE2      HIS  64  42.400  23.806  25.034
  Start of MODEL   34
    1    H1   MET   1           HT1      MET   1  48.719   3.816 -57.291
    2    H2   MET   1           HT2      MET   1  48.816   5.183 -56.286
    3    H3   MET   1           HT3      MET   1  49.354   3.673 -55.725
    4    HA   MET   1           HA       MET   1  51.090   3.668 -57.445
    5    HB2  MET   1           HB2      MET   1  49.919   6.419 -57.926
    6    HB3  MET   1           HB1      MET   1  51.525   5.950 -58.484
    7    HG2  MET   1           HG2      MET   1  50.703   4.460 -60.049
    8    HG3  MET   1           HG1      MET   1  49.233   4.141 -59.128
    9    HE1  MET   1           HE1      MET   1  47.101   5.558 -61.737
   10    HE2  MET   1           HE2      MET   1  47.028   4.864 -60.120
   11    HE3  MET   1           HE3      MET   1  48.069   4.133 -61.340
   12    H    GLU   2           HN       GLU   2  53.097   4.135 -56.619
   13    HA   GLU   2           HA       GLU   2  54.591   4.645 -54.938
   14    HB2  GLU   2           HB2      GLU   2  53.185   7.320 -55.111
   15    HB3  GLU   2           HB1      GLU   2  54.803   7.029 -54.474
   16    HG2  GLU   2           HG2      GLU   2  55.507   6.173 -56.692
   17    HG3  GLU   2           HG1      GLU   2  53.899   6.525 -57.324
   18    H    GLU   3           HN       GLU   3  52.543   3.234 -53.882
   19    HA   GLU   3           HA       GLU   3  50.988   4.337 -51.871
   20    HB2  GLU   3           HB2      GLU   3  52.208   1.652 -52.328
   21    HB3  GLU   3           HB1      GLU   3  51.513   1.989 -50.742
   22    HG2  GLU   3           HG2      GLU   3  49.950   2.684 -53.208
   23    HG3  GLU   3           HG1      GLU   3  49.990   1.010 -52.654
   24    H    GLY   4           HN       GLY   4  51.270   4.543 -49.607
   25    HA2  GLY   4           HA2      GLY   4  52.572   4.567 -47.613
   26    HA3  GLY   4           HA1      GLY   4  54.031   4.499 -48.597
   27    H    GLY   5           HN       GLY   5  51.193   6.653 -48.694
   28    HA2  GLY   5           HA2      GLY   5  52.917   8.931 -47.999
   29    HA3  GLY   5           HA1      GLY   5  52.029   8.983 -49.518
   30    H    ASP   6           HN       ASP   6  50.209  10.116 -49.403
   31    HA   ASP   6           HA       ASP   6  49.049  11.051 -47.025
   32    HB2  ASP   6           HB2      ASP   6  48.756  12.011 -49.347
   33    HB3  ASP   6           HB1      ASP   6  47.607  10.711 -49.657
   34    H    PHE   7           HN       PHE   7  48.983   9.007 -45.800
   35    HA   PHE   7           HA       PHE   7  46.329   7.932 -45.762
   36    HB2  PHE   7           HB2      PHE   7  46.672   6.261 -47.238
   37    HB3  PHE   7           HB1      PHE   7  48.422   6.479 -47.214
   38    HD1  PHE   7           HD2      PHE   7  49.821   5.314 -45.583
   39    HD2  PHE   7           HD1      PHE   7  45.560   4.777 -45.642
   40    HE1  PHE   7           HE2      PHE   7  50.051   3.330 -44.112
   41    HE2  PHE   7           HE1      PHE   7  45.790   2.794 -44.172
   42    HZ   PHE   7           HZ       PHE   7  48.035   2.070 -43.407
   43    H    ASP   8           HN       ASP   8  49.706   7.535 -44.769
   44    HA   ASP   8           HA       ASP   8  49.333   6.041 -42.445
   45    HB2  ASP   8           HB2      ASP   8  51.559   6.402 -43.209
   46    HB3  ASP   8           HB1      ASP   8  51.369   8.153 -43.156
   47    H    ASN   9           HN       ASN   9  48.143   6.451 -40.706
   48    HA   ASN   9           HA       ASN   9  48.045   9.197 -39.654
   49    HB2  ASN   9           HB2      ASN   9  46.007   8.948 -40.969
   50    HB3  ASN   9           HB1      ASN   9  45.630   7.438 -40.142
   51   HD21  ASN   9          HD21      ASN   9  45.940  10.962 -39.635
   52   HD22  ASN   9          HD22      ASN   9  45.003  10.998 -38.220
   53    H    TYR  10           HN       TYR  10  48.914   6.154 -39.100
   54    HA   TYR  10           HA       TYR  10  49.256   4.854 -37.238
   55    HB2  TYR  10           HB2      TYR  10  49.398   7.645 -36.350
   56    HB3  TYR  10           HB1      TYR  10  48.993   6.516 -35.057
   57    HD1  TYR  10           HD2      TYR  10  51.138   6.171 -38.113
   58    HD2  TYR  10           HD1      TYR  10  50.931   6.062 -33.824
   59    HE1  TYR  10           HE2      TYR  10  53.505   5.434 -38.018
   60    HE2  TYR  10           HE1      TYR  10  53.297   5.326 -33.729
   61    HH   TYR  10           HH       TYR  10  54.907   4.110 -35.304
   62    H    TYR  11           HN       TYR  11  47.093   7.147 -35.633
   63    HA   TYR  11           HA       TYR  11  44.915   6.913 -34.880
   64    HB2  TYR  11           HB2      TYR  11  44.808   5.404 -37.091
   65    HB3  TYR  11           HB1      TYR  11  44.644   4.126 -35.886
   66    HD1  TYR  11           HD2      TYR  11  42.829   4.309 -34.130
   67    HD2  TYR  11           HD1      TYR  11  43.016   6.900 -37.551
   68    HE1  TYR  11           HE2      TYR  11  40.454   4.936 -33.786
   69    HE2  TYR  11           HE1      TYR  11  40.642   7.527 -37.207
   70    HH   TYR  11           HH       TYR  11  38.990   7.565 -35.435
   71    H    GLY  12           HN       GLY  12  46.296   3.617 -34.843
   72    HA2  GLY  12           HA2      GLY  12  45.440   3.155 -32.142
   73    HA3  GLY  12           HA1      GLY  12  46.453   2.090 -33.112
   74    H    ALA  13           HN       ALA  13  47.109   5.481 -32.390
   75    HA   ALA  13           HA       ALA  13  49.752   4.822 -31.436
   76    HB1  ALA  13           HB1      ALA  13  48.599   7.552 -31.092
   77    HB2  ALA  13           HB2      ALA  13  48.845   6.960 -32.734
   78    HB3  ALA  13           HB3      ALA  13  50.210   7.070 -31.622
   79    H    ASP  14           HN       ASP  14  49.812   7.024 -29.490
   80    HA   ASP  14           HA       ASP  14  49.436   5.578 -27.122
   81    HB2  ASP  14           HB2      ASP  14  50.545   7.331 -26.282
   82    HB3  ASP  14           HB1      ASP  14  50.417   8.126 -27.851
   83    H    ASN  15           HN       ASN  15  47.124   6.924 -29.155
   84    HA   ASN  15           HA       ASN  15  45.176   7.938 -27.434
   85    HB2  ASN  15           HB2      ASN  15  44.890   8.178 -29.800
   86    HB3  ASN  15           HB1      ASN  15  44.921   6.432 -30.040
   87   HD21  ASN  15          HD21      ASN  15  42.786   6.075 -30.795
   88   HD22  ASN  15          HD22      ASN  15  41.399   6.480 -29.906
   89    H    GLN  16           HN       GLN  16  46.502   4.886 -27.409
   90    HA   GLN  16           HA       GLN  16  44.220   3.843 -25.861
   91    HB2  GLN  16           HB2      GLN  16  45.802   2.116 -27.766
   92    HB3  GLN  16           HB1      GLN  16  44.299   1.723 -26.930
   93    HG2  GLN  16           HG2      GLN  16  43.332   3.780 -28.210
   94    HG3  GLN  16           HG1      GLN  16  44.729   3.572 -29.265
   95   HE21  GLN  16          HE21      GLN  16  43.977   2.503 -31.106
   96   HE22  GLN  16          HE22      GLN  16  42.985   1.125 -31.084
   97    H    SER  17           HN       SER  17  46.486   5.046 -24.785
   98    HA   SER  17           HA       SER  17  47.605   2.796 -23.294
   99    HB2  SER  17           HB2      SER  17  49.070   3.716 -25.386
  100    HB3  SER  17           HB1      SER  17  49.632   4.788 -24.107
  101    HG   SER  17           HG       SER  17  50.863   3.096 -23.722
  102    H    GLU  18           HN       GLU  18  47.855   3.272 -21.197
  103    HA   GLU  18           HA       GLU  18  47.327   4.480 -19.278
  104    HB2  GLU  18           HB2      GLU  18  49.119   6.154 -18.835
  105    HB3  GLU  18           HB1      GLU  18  49.733   4.605 -19.410
  106    HG2  GLU  18           HG2      GLU  18  50.081   5.468 -21.624
  107    HG3  GLU  18           HG1      GLU  18  49.207   6.952 -21.249
  108    H    CYS  19           HN       CYS  19  45.540   5.239 -21.304
  109    HA   CYS  19           HA       CYS  19  45.405   8.056 -21.661
  110    HB2  CYS  19           HB2      CYS  19  44.209   6.340 -23.061
  111    HB3  CYS  19           HB1      CYS  19  43.100   6.098 -21.712
  112    HG   CYS  19           HG       CYS  19  43.298   8.698 -23.414
  113    H    GLU  20           HN       GLU  20  43.366   5.930 -19.633
  114    HA   GLU  20           HA       GLU  20  43.315   8.026 -17.574
  115    HB2  GLU  20           HB2      GLU  20  40.806   6.678 -18.594
  116    HB3  GLU  20           HB1      GLU  20  40.911   7.946 -17.373
  117    HG2  GLU  20           HG2      GLU  20  41.956   9.432 -19.123
  118    HG3  GLU  20           HG1      GLU  20  41.589   8.185 -20.314
  119    H    TYR  21           HN       TYR  21  44.839   6.261 -16.797
  120    HA   TYR  21           HA       TYR  21  43.325   4.486 -15.036
  121    HB2  TYR  21           HB2      TYR  21  45.578   3.383 -16.715
  122    HB3  TYR  21           HB1      TYR  21  44.469   2.494 -15.672
  123    HD1  TYR  21           HD2      TYR  21  42.080   2.232 -16.308
  124    HD2  TYR  21           HD1      TYR  21  44.935   4.079 -18.932
  125    HE1  TYR  21           HE2      TYR  21  40.508   1.965 -18.207
  126    HE2  TYR  21           HE1      TYR  21  43.364   3.811 -20.832
  127    HH   TYR  21           HH       TYR  21  40.214   3.307 -20.551
  128    H    THR  22           HN       THR  22  45.307   6.878 -15.113
  129    HA   THR  22           HA       THR  22  46.593   6.286 -12.647
  130    HB   THR  22           HB       THR  22  48.287   5.073 -13.620
  131    HG1  THR  22           HG1      THR  22  49.914   6.799 -14.366
  132   HG21  THR  22          HG21      THR  22  49.155   5.871 -15.982
  133   HG22  THR  22          HG22      THR  22  47.574   6.646 -16.069
  134   HG23  THR  22          HG23      THR  22  47.689   4.899 -15.857
  135    H    ASP  23           HN       ASP  23  46.806   8.227 -15.618
  136    HA   ASP  23           HA       ASP  23  47.864  10.548 -14.364
  137    HB2  ASP  23           HB2      ASP  23  47.269   9.738 -16.983
  138    HB3  ASP  23           HB1      ASP  23  46.257  11.153 -16.694
  139    H    TRP  24           HN       TRP  24  44.574   9.485 -15.134
  140    HA   TRP  24           HA       TRP  24  43.218  11.849 -14.443
  141    HB2  TRP  24           HB2      TRP  24  41.266  10.596 -14.571
  142    HB3  TRP  24           HB1      TRP  24  42.368   9.628 -15.552
  143    HD1  TRP  24           HD1      TRP  24  42.952   7.251 -14.735
  144    HE1  TRP  24           HE1      TRP  24  42.250   5.821 -12.706
  145    HE3  TRP  24           HE3      TRP  24  40.579  10.799 -11.932
  146    HZ2  TRP  24           HZ2      TRP  24  40.865   6.140 -10.225
  147    HZ3  TRP  24           HZ3      TRP  24  39.579  10.210  -9.742
  148    HH2  TRP  24           HH2      TRP  24  39.719   7.887  -8.886
  149    H    LYS  25           HN       LYS  25  44.525   9.252 -12.492
  150    HA   LYS  25           HA       LYS  25  43.240   9.387 -10.111
  151    HB2  LYS  25           HB2      LYS  25  45.513   8.227 -10.839
  152    HB3  LYS  25           HB1      LYS  25  46.215   9.603  -9.990
  153    HG2  LYS  25           HG2      LYS  25  44.679   9.039  -8.044
  154    HG3  LYS  25           HG1      LYS  25  44.305   7.534  -8.882
  155    HD2  LYS  25           HD2      LYS  25  47.053   8.457  -7.991
  156    HD3  LYS  25           HD1      LYS  25  46.113   7.140  -7.289
  157    HE2  LYS  25           HE2      LYS  25  46.103   6.182  -9.721
  158    HE3  LYS  25           HE1      LYS  25  47.473   7.264  -9.969
  159    HZ1  LYS  25           HZ1      LYS  25  47.417   4.773  -8.662
  160    HZ2  LYS  25           HZ2      LYS  25  47.873   5.968  -7.543
  161    HZ3  LYS  25           HZ3      LYS  25  48.751   5.771  -8.983
  162    H    SER  26           HN       SER  26  42.526  11.050  -8.956
  163    HA   SER  26           HA       SER  26  43.643  13.687  -9.202
  164    HB2  SER  26           HB2      SER  26  41.424  12.457  -7.602
  165    HB3  SER  26           HB1      SER  26  41.995  14.076  -7.213
  166    HG   SER  26           HG       SER  26  41.552  14.684  -9.341
  167    H    SER  27           HN       SER  27  42.920  12.076  -6.135
  168    HA   SER  27           HA       SER  27  44.250  11.660  -4.287
  169    HB2  SER  27           HB2      SER  27  46.511  11.381  -4.537
  170    HB3  SER  27           HB1      SER  27  46.051  11.347  -6.238
  171    HG   SER  27           HG       SER  27  47.776  12.913  -5.289
  172    H    GLY  28           HN       GLY  28  43.925  14.627  -5.905
  173    HA2  GLY  28           HA2      GLY  28  44.066  16.070  -3.377
  174    HA3  GLY  28           HA1      GLY  28  45.211  16.585  -4.611
  175    H    ALA  29           HN       ALA  29  42.280  15.350  -5.842
  176    HA   ALA  29           HA       ALA  29  41.429  18.078  -6.552
  177    HB1  ALA  29           HB1      ALA  29  41.862  16.164  -8.275
  178    HB2  ALA  29           HB2      ALA  29  40.440  17.190  -8.466
  179    HB3  ALA  29           HB3      ALA  29  40.280  15.582  -7.759
  180    H    LEU  30           HN       LEU  30  39.721  14.991  -6.019
  181    HA   LEU  30           HA       LEU  30  37.581  16.488  -4.662
  182    HB2  LEU  30           HB2      LEU  30  36.241  14.435  -5.001
  183    HB3  LEU  30           HB1      LEU  30  36.873  15.069  -6.522
  184    HG   LEU  30           HG       LEU  30  38.841  13.312  -5.436
  185   HD11  LEU  30          HD11      LEU  30  36.943  12.354  -4.129
  186   HD12  LEU  30          HD12      LEU  30  37.592  11.216  -5.308
  187   HD13  LEU  30          HD13      LEU  30  36.083  12.064  -5.641
  188   HD21  LEU  30          HD21      LEU  30  38.520  13.798  -7.816
  189   HD22  LEU  30          HD22      LEU  30  36.918  13.062  -7.772
  190   HD23  LEU  30          HD23      LEU  30  38.353  12.064  -7.541
  191    H    ILE  31           HN       ILE  31  40.345  15.057  -3.781
  192    HA   ILE  31           HA       ILE  31  39.567  13.266  -1.731
  193    HB   ILE  31           HB       ILE  31  42.034  14.458  -2.707
  194   HG12  ILE  31          HG12      ILE  31  42.909  12.271  -1.995
  195   HG13  ILE  31          HG11      ILE  31  41.410  11.950  -1.123
  196   HG21  ILE  31          HG21      ILE  31  43.288  14.190  -0.562
  197   HG22  ILE  31          HG22      ILE  31  41.755  14.047   0.291
  198   HG23  ILE  31          HG23      ILE  31  42.176  15.556  -0.529
  199   HD11  ILE  31          HD11      ILE  31  41.933  11.341  -3.805
  200   HD12  ILE  31          HD12      ILE  31  40.882  12.755  -3.867
  201   HD13  ILE  31          HD13      ILE  31  40.359  11.305  -3.011
  202    HA   PRO  32           HA       PRO  32  40.044  17.243   1.089
  203    HB2  PRO  32           HB2      PRO  32  38.857  19.250  -0.741
  204    HB3  PRO  32           HB1      PRO  32  40.258  19.395   0.337
  205    HG2  PRO  32           HG2      PRO  32  40.522  19.232  -2.319
  206    HG3  PRO  32           HG1      PRO  32  41.706  18.526  -1.207
  207    HD2  PRO  32           HD2      PRO  32  39.589  17.159  -2.823
  208    HD3  PRO  32           HD1      PRO  32  41.222  16.602  -2.398
  209    H    ALA  33           HN       ALA  33  37.436  17.328  -1.350
  210    HA   ALA  33           HA       ALA  33  35.319  18.145   0.216
  211    HB1  ALA  33           HB1      ALA  33  35.646  16.932  -2.327
  212    HB2  ALA  33           HB2      ALA  33  34.221  17.755  -1.694
  213    HB3  ALA  33           HB3      ALA  33  34.408  16.016  -1.469
  214    H    ILE  34           HN       ILE  34  36.872  15.000   0.092
  215    HA   ILE  34           HA       ILE  34  34.888  13.864   1.930
  216    HB   ILE  34           HB       ILE  34  37.256  12.672   0.466
  217   HG12  ILE  34          HG12      ILE  34  35.200  11.180  -0.309
  218   HG13  ILE  34          HG11      ILE  34  34.265  12.603   0.140
  219   HG21  ILE  34          HG21      ILE  34  37.287  11.397   2.401
  220   HG22  ILE  34          HG22      ILE  34  36.102  10.505   1.448
  221   HG23  ILE  34          HG23      ILE  34  35.564  11.622   2.702
  222   HD11  ILE  34          HD11      ILE  34  36.619  12.604  -1.774
  223   HD12  ILE  34          HD12      ILE  34  35.614  13.993  -1.363
  224   HD13  ILE  34          HD13      ILE  34  34.923  12.639  -2.253
  225    H    TYR  35           HN       TYR  35  38.229  14.941   1.825
  226    HA   TYR  35           HA       TYR  35  38.864  13.944   4.459
  227    HB2  TYR  35           HB2      TYR  35  40.411  14.606   2.363
  228    HB3  TYR  35           HB1      TYR  35  40.476  16.127   3.253
  229    HD1  TYR  35           HD2      TYR  35  41.130  16.073   5.719
  230    HD2  TYR  35           HD1      TYR  35  41.646  12.717   3.087
  231    HE1  TYR  35           HE2      TYR  35  42.753  15.076   7.307
  232    HE2  TYR  35           HE1      TYR  35  43.269  11.720   4.675
  233    HH   TYR  35           HH       TYR  35  43.665  11.937   7.273
  234    H    MET  36           HN       MET  36  38.614  17.239   3.104
  235    HA   MET  36           HA       MET  36  38.720  18.692   5.446
  236    HB2  MET  36           HB2      MET  36  38.700  19.783   3.284
  237    HB3  MET  36           HB1      MET  36  37.060  19.218   2.971
  238    HG2  MET  36           HG2      MET  36  36.154  20.587   4.718
  239    HG3  MET  36           HG1      MET  36  37.757  20.964   5.344
  240    HE1  MET  36           HE1      MET  36  39.433  21.828   2.391
  241    HE2  MET  36           HE2      MET  36  39.511  21.911   4.149
  242    HE3  MET  36           HE3      MET  36  39.346  23.393   3.210
  243    H    LEU  37           HN       LEU  37  35.791  17.421   3.857
  244    HA   LEU  37           HA       LEU  37  34.046  18.239   5.962
  245    HB2  LEU  37           HB2      LEU  37  33.554  16.095   3.887
  246    HB3  LEU  37           HB1      LEU  37  32.342  17.009   4.784
  247    HG   LEU  37           HG       LEU  37  34.334  18.179   2.816
  248   HD11  LEU  37          HD11      LEU  37  32.644  18.224   1.243
  249   HD12  LEU  37          HD12      LEU  37  31.370  18.295   2.460
  250   HD13  LEU  37          HD13      LEU  37  32.175  16.765   2.116
  251   HD21  LEU  37          HD21      LEU  37  33.938  19.920   4.320
  252   HD22  LEU  37          HD22      LEU  37  32.311  19.356   4.700
  253   HD23  LEU  37          HD23      LEU  37  32.628  20.161   3.164
  254    H    VAL  38           HN       VAL  38  36.456  16.314   6.407
  255    HA   VAL  38           HA       VAL  38  34.969  14.502   8.194
  256    HB   VAL  38           HB       VAL  38  37.116  13.747   6.212
  257   HG11  VAL  38          HG11      VAL  38  36.276  12.417   8.785
  258   HG12  VAL  38          HG12      VAL  38  37.906  12.705   8.174
  259   HG13  VAL  38          HG13      VAL  38  36.892  11.465   7.434
  260   HG21  VAL  38          HG21      VAL  38  35.488  12.092   5.518
  261   HG22  VAL  38          HG22      VAL  38  34.671  13.653   5.586
  262   HG23  VAL  38          HG23      VAL  38  34.442  12.481   6.883
  263    H    PHE  39           HN       PHE  39  37.522  16.668   7.636
  264    HA   PHE  39           HA       PHE  39  39.357  15.774   9.628
  265    HB2  PHE  39           HB2      PHE  39  40.008  17.311   7.808
  266    HB3  PHE  39           HB1      PHE  39  38.957  18.553   8.492
  267    HD1  PHE  39           HD1      PHE  39  39.456  19.534  10.724
  268    HD2  PHE  39           HD2      PHE  39  42.136  16.781   8.802
  269    HE1  PHE  39           HE1      PHE  39  41.268  20.216  12.274
  270    HE2  PHE  39           HE2      PHE  39  43.948  17.463  10.353
  271    HZ   PHE  39           HZ       PHE  39  43.514  19.181  12.089
  272    H    LEU  40           HN       LEU  40  36.315  17.296   9.776
  273    HA   LEU  40           HA       LEU  40  36.700  17.799  12.654
  274    HB2  LEU  40           HB2      LEU  40  35.246  19.836  12.406
  275    HB3  LEU  40           HB1      LEU  40  36.836  19.987  11.659
  276    HG   LEU  40           HG       LEU  40  34.904  18.826   9.818
  277   HD11  LEU  40          HD11      LEU  40  34.343  21.607  10.894
  278   HD12  LEU  40          HD12      LEU  40  33.311  20.196  11.118
  279   HD13  LEU  40          HD13      LEU  40  33.552  20.865   9.505
  280   HD21  LEU  40          HD21      LEU  40  37.124  19.828   9.254
  281   HD22  LEU  40          HD22      LEU  40  36.503  21.406   9.741
  282   HD23  LEU  40          HD23      LEU  40  35.799  20.571   8.356
  283    H    LEU  41           HN       LEU  41  35.001  16.306  10.211
  284    HA   LEU  41           HA       LEU  41  32.767  15.730  12.041
  285    HB2  LEU  41           HB2      LEU  41  32.590  16.712   9.203
  286    HB3  LEU  41           HB1      LEU  41  31.312  15.709   9.892
  287    HG   LEU  41           HG       LEU  41  32.281  18.054  11.479
  288   HD11  LEU  41          HD11      LEU  41  31.952  18.973   9.218
  289   HD12  LEU  41          HD12      LEU  41  30.671  19.518  10.300
  290   HD13  LEU  41          HD13      LEU  41  30.356  18.227   9.139
  291   HD21  LEU  41          HD21      LEU  41  29.429  17.236  11.055
  292   HD22  LEU  41          HD22      LEU  41  30.205  17.870  12.505
  293   HD23  LEU  41          HD23      LEU  41  30.464  16.192  12.029
  294    H    GLY  42           HN       GLY  42  34.140  13.798  12.347
  295    HA2  GLY  42           HA2      GLY  42  33.190  11.495  11.310
  296    HA3  GLY  42           HA1      GLY  42  34.403  11.956  10.120
  297    H    THR  43           HN       THR  43  35.869  13.294  12.483
  298    HA   THR  43           HA       THR  43  36.906  10.873  13.801
  299    HB   THR  43           HB       THR  43  38.347  11.408  11.833
  300    HG1  THR  43           HG1      THR  43  39.444  11.856  14.409
  301   HG21  THR  43          HG21      THR  43  37.879  13.926  12.088
  302   HG22  THR  43          HG22      THR  43  39.529  13.454  11.683
  303   HG23  THR  43          HG23      THR  43  39.122  13.905  13.339
  304    H    THR  44           HN       THR  44  36.921  14.418  13.647
  305    HA   THR  44           HA       THR  44  38.079  14.999  16.101
  306    HB   THR  44           HB       THR  44  35.930  16.396  14.511
  307    HG1  THR  44           HG1      THR  44  38.015  17.860  14.739
  308   HG21  THR  44          HG21      THR  44  35.444  17.134  16.705
  309   HG22  THR  44          HG22      THR  44  36.530  18.365  16.064
  310   HG23  THR  44          HG23      THR  44  37.146  17.137  17.169
  311    H    GLY  45           HN       GLY  45  35.287  13.237  15.519
  312    HA2  GLY  45           HA2      GLY  45  34.309  12.084  17.445
  313    HA3  GLY  45           HA1      GLY  45  34.376  13.614  18.311
  314    H    ASN  46           HN       ASN  46  33.573  14.358  15.212
  315    HA   ASN  46           HA       ASN  46  31.622  15.308  14.393
  316    HB2  ASN  46           HB2      ASN  46  31.439  13.050  13.556
  317    HB3  ASN  46           HB1      ASN  46  30.780  12.489  15.091
  318   HD21  ASN  46          HD21      ASN  46  29.844  15.591  13.638
  319   HD22  ASN  46          HD22      ASN  46  28.247  15.134  13.285
  320    H    GLY  47           HN       GLY  47  31.756  16.546  16.621
  321    HA2  GLY  47           HA2      GLY  47  29.153  17.053  17.482
  322    HA3  GLY  47           HA1      GLY  47  29.865  15.939  18.646
  323    H    LEU  48           HN       LEU  48  31.442  18.543  16.821
  324    HA   LEU  48           HA       LEU  48  31.811  20.049  19.324
  325    HB2  LEU  48           HB2      LEU  48  33.952  18.967  17.522
  326    HB3  LEU  48           HB1      LEU  48  34.220  20.470  18.407
  327    HG   LEU  48           HG       LEU  48  33.110  18.150  19.925
  328   HD11  LEU  48          HD11      LEU  48  35.865  18.319  18.743
  329   HD12  LEU  48          HD12      LEU  48  34.829  16.907  18.960
  330   HD13  LEU  48          HD13      LEU  48  35.659  17.614  20.346
  331   HD21  LEU  48          HD21      LEU  48  34.486  19.150  21.703
  332   HD22  LEU  48          HD22      LEU  48  33.464  20.379  20.958
  333   HD23  LEU  48          HD23      LEU  48  35.176  20.287  20.544
  334    H    VAL  49           HN       VAL  49  32.302  20.026  15.799
  335    HA   VAL  49           HA       VAL  49  32.609  22.777  15.418
  336    HB   VAL  49           HB       VAL  49  32.946  20.950  13.702
  337   HG11  VAL  49          HG11      VAL  49  31.107  20.037  12.548
  338   HG12  VAL  49          HG12      VAL  49  30.005  21.283  13.135
  339   HG13  VAL  49          HG13      VAL  49  30.574  20.022  14.229
  340   HG21  VAL  49          HG21      VAL  49  31.164  23.249  12.840
  341   HG22  VAL  49          HG22      VAL  49  32.335  22.392  11.838
  342   HG23  VAL  49          HG23      VAL  49  32.889  23.403  13.172
  343    H    LEU  50           HN       LEU  50  29.860  20.994  16.382
  344    HA   LEU  50           HA       LEU  50  28.060  23.238  15.698
  345    HB2  LEU  50           HB2      LEU  50  26.222  21.627  16.022
  346    HB3  LEU  50           HB1      LEU  50  27.355  21.075  14.787
  347    HG   LEU  50           HG       LEU  50  28.446  20.034  17.099
  348   HD11  LEU  50          HD11      LEU  50  26.703  19.094  18.424
  349   HD12  LEU  50          HD12      LEU  50  25.465  19.548  17.253
  350   HD13  LEU  50          HD13      LEU  50  26.265  20.789  18.218
  351   HD21  LEU  50          HD21      LEU  50  26.550  18.885  15.039
  352   HD22  LEU  50          HD22      LEU  50  27.326  17.880  16.263
  353   HD23  LEU  50          HD23      LEU  50  28.308  18.755  15.089
  354    H    TRP  51           HN       TRP  51  29.916  22.203  18.168
  355    HA   TRP  51           HA       TRP  51  27.987  22.564  20.320
  356    HB2  TRP  51           HB2      TRP  51  29.661  20.886  20.702
  357    HB3  TRP  51           HB1      TRP  51  30.958  22.006  20.288
  358    HD1  TRP  51           HD1      TRP  51  27.959  22.287  22.730
  359    HE1  TRP  51           HE1      TRP  51  28.860  23.102  25.004
  360    HE3  TRP  51           HE3      TRP  51  32.944  22.560  21.657
  361    HZ2  TRP  51           HZ2      TRP  51  31.365  23.781  26.207
  362    HZ3  TRP  51           HZ3      TRP  51  34.563  23.292  23.384
  363    HH2  TRP  51           HH2      TRP  51  33.780  23.903  25.656
  364    H    THR  52           HN       THR  52  31.148  23.815  20.817
  365    HA   THR  52           HA       THR  52  30.514  26.199  21.939
  366    HB   THR  52           HB       THR  52  32.811  25.407  21.824
  367    HG1  THR  52           HG1      THR  52  33.557  27.378  21.825
  368   HG21  THR  52          HG21      THR  52  32.668  26.134  18.886
  369   HG22  THR  52          HG22      THR  52  32.696  24.490  19.526
  370   HG23  THR  52          HG23      THR  52  34.094  25.544  19.739
  371    H    VAL  53           HN       VAL  53  30.558  25.456  18.510
  372    HA   VAL  53           HA       VAL  53  30.382  28.073  17.485
  373    HB   VAL  53           HB       VAL  53  29.464  25.396  16.444
  374   HG11  VAL  53          HG11      VAL  53  29.279  26.763  14.235
  375   HG12  VAL  53          HG12      VAL  53  29.091  28.159  15.298
  376   HG13  VAL  53          HG13      VAL  53  27.934  26.830  15.374
  377   HG21  VAL  53          HG21      VAL  53  31.664  27.341  15.665
  378   HG22  VAL  53          HG22      VAL  53  31.325  25.817  14.845
  379   HG23  VAL  53          HG23      VAL  53  31.885  25.812  16.516
  380    H    PHE  54           HN       PHE  54  27.802  25.723  18.219
  381    HA   PHE  54           HA       PHE  54  25.606  27.286  17.541
  382    HB2  PHE  54           HB2      PHE  54  26.089  24.980  19.340
  383    HB3  PHE  54           HB1      PHE  54  24.613  25.902  19.632
  384    HD1  PHE  54           HD2      PHE  54  26.571  24.814  16.622
  385    HD2  PHE  54           HD1      PHE  54  22.738  25.030  18.548
  386    HE1  PHE  54           HE2      PHE  54  25.520  23.724  14.655
  387    HE2  PHE  54           HE1      PHE  54  21.688  23.941  16.583
  388    HZ   PHE  54           HZ       PHE  54  23.079  23.288  14.636
  389    H    ARG  55           HN       ARG  55  27.806  27.629  20.158
  390    HA   ARG  55           HA       ARG  55  25.989  29.473  21.568
  391    HB2  ARG  55           HB2      ARG  55  28.613  28.955  22.779
  392    HB3  ARG  55           HB1      ARG  55  27.006  28.874  23.495
  393    HG2  ARG  55           HG2      ARG  55  28.252  26.751  21.720
  394    HG3  ARG  55           HG1      ARG  55  28.063  26.648  23.467
  395    HD2  ARG  55           HD2      ARG  55  25.518  27.323  22.446
  396    HD3  ARG  55           HD1      ARG  55  26.143  26.047  21.407
  397    HE   ARG  55           HE       ARG  55  26.662  25.087  23.886
  398   HH11  ARG  55          HH21      ARG  55  23.866  26.474  22.391
  399   HH12  ARG  55          HH22      ARG  55  22.737  25.558  23.333
  400   HH21  ARG  55          HH11      ARG  55  25.188  23.881  25.123
  401   HH22  ARG  55          HH12      ARG  55  23.486  24.089  24.879
  402    H    LYS  56           HN       LYS  56  28.864  29.301  19.648
  403    HA   LYS  56           HA       LYS  56  30.037  31.780  20.376
  404    HB2  LYS  56           HB2      LYS  56  30.982  29.775  18.977
  405    HB3  LYS  56           HB1      LYS  56  30.273  30.641  17.613
  406    HG2  LYS  56           HG2      LYS  56  32.328  31.669  17.629
  407    HG3  LYS  56           HG1      LYS  56  31.513  32.703  18.802
  408    HD2  LYS  56           HD2      LYS  56  32.386  31.304  20.643
  409    HD3  LYS  56           HD1      LYS  56  33.213  30.281  19.468
  410    HE2  LYS  56           HE2      LYS  56  34.920  31.747  20.065
  411    HE3  LYS  56           HE1      LYS  56  34.249  32.560  18.651
  412    HZ1  LYS  56           HZ1      LYS  56  32.806  33.300  20.959
  413    HZ2  LYS  56           HZ2      LYS  56  33.696  34.284  19.898
  414    HZ3  LYS  56           HZ3      LYS  56  34.461  33.556  21.230
  415    H    LYS  57           HN       LYS  57  28.159  30.910  17.463
  416    HA   LYS  57           HA       LYS  57  27.082  32.277  15.938
  417    HB2  LYS  57           HB2      LYS  57  25.710  32.129  18.285
  418    HB3  LYS  57           HB1      LYS  57  25.888  33.875  18.122
  419    HG2  LYS  57           HG2      LYS  57  24.783  32.044  15.965
  420    HG3  LYS  57           HG1      LYS  57  23.805  33.030  17.048
  421    HD2  LYS  57           HD2      LYS  57  24.946  35.066  16.204
  422    HD3  LYS  57           HD1      LYS  57  25.861  34.067  15.074
  423    HE2  LYS  57           HE2      LYS  57  24.152  34.157  13.617
  424    HE3  LYS  57           HE1      LYS  57  23.106  33.378  14.804
  425    HZ1  LYS  57           HZ1      LYS  57  22.043  35.281  15.091
  426    HZ2  LYS  57           HZ2      LYS  57  23.015  36.015  13.906
  427    HZ3  LYS  57           HZ3      LYS  57  23.481  36.061  15.538
  428    H    GLY  58           HN       GLY  58  29.717  33.208  16.647
  429    HA2  GLY  58           HA2      GLY  58  29.409  36.133  16.738
  430    HA3  GLY  58           HA1      GLY  58  30.909  35.246  16.990
  431    H    HIS  59           HN       HIS  59  28.439  35.386  14.410
  432    HA   HIS  59           HA       HIS  59  30.527  36.170  12.502
  433    HB2  HIS  59           HB2      HIS  59  28.649  33.855  11.987
  434    HB3  HIS  59           HB1      HIS  59  29.934  34.438  10.928
  435    HD2  HIS  59           HD2      HIS  59  29.747  32.836  14.577
  436    HE1  HIS  59           HE1      HIS  59  33.466  31.883  12.823
  437    HE2  HIS  59           HE2      HIS  59  31.994  31.536  14.862
  438    H    HIS  60           HN       HIS  60  27.176  35.906  13.424
  439    HA   HIS  60           HA       HIS  60  26.525  38.052  11.523
  440    HB2  HIS  60           HB2      HIS  60  25.872  35.794  10.566
  441    HB3  HIS  60           HB1      HIS  60  24.724  35.655  11.898
  442    HD2  HIS  60           HD2      HIS  60  24.576  36.847   8.378
  443    HE1  HIS  60           HE1      HIS  60  21.872  39.372  10.413
  444    HE2  HIS  60           HE2      HIS  60  22.643  38.583   8.125
  445    H    HIS  61           HN       HIS  61  26.708  39.243  13.581
  446    HA   HIS  61           HA       HIS  61  24.434  38.825  15.407
  447    HB2  HIS  61           HB2      HIS  61  27.173  39.797  15.718
  448    HB3  HIS  61           HB1      HIS  61  25.981  40.856  16.471
  449    HD2  HIS  61           HD2      HIS  61  24.036  39.151  18.116
  450    HE1  HIS  61           HE1      HIS  61  27.161  36.501  19.136
  451    HE2  HIS  61           HE2      HIS  61  24.803  37.240  19.721
  452    H    HIS  62           HN       HIS  62  22.671  39.959  14.921
  453    HA   HIS  62           HA       HIS  62  22.915  42.496  13.476
  454    HB2  HIS  62           HB2      HIS  62  20.595  42.289  12.999
  455    HB3  HIS  62           HB1      HIS  62  21.264  40.667  12.820
  456    HD2  HIS  62           HD2      HIS  62  19.053  42.663  15.427
  457    HE1  HIS  62           HE1      HIS  62  18.754  38.539  16.276
  458    HE2  HIS  62           HE2      HIS  62  17.875  40.842  16.883
  459    H    HIS  63           HN       HIS  63  21.052  44.103  14.212
  460    HA   HIS  63           HA       HIS  63  20.490  44.265  17.004
  461    HB2  HIS  63           HB2      HIS  63  23.056  44.902  16.592
  462    HB3  HIS  63           HB1      HIS  63  22.331  46.465  16.211
  463    HD2  HIS  63           HD2      HIS  63  21.192  47.819  18.422
  464    HE1  HIS  63           HE1      HIS  63  22.239  44.935  21.323
  465    HE2  HIS  63           HE2      HIS  63  21.306  47.271  20.972
  466    H    HIS  64           HN       HIS  64  18.961  44.455  14.666
  467    HA   HIS  64           HA       HIS  64  18.436  46.928  13.589
  468    HB2  HIS  64           HB2      HIS  64  17.275  44.645  13.181
  469    HB3  HIS  64           HB1      HIS  64  16.176  45.150  14.465
  470    HD2  HIS  64           HD2      HIS  64  15.658  45.155  10.959
  471    HE1  HIS  64           HE1      HIS  64  14.778  49.186  11.849
  472    HE2  HIS  64           HE2      HIS  64  14.539  47.355  10.107
  Start of MODEL   35
    1    H1   MET   1           HT1      MET   1  52.775 -19.122 -14.396
    2    H2   MET   1           HT2      MET   1  51.770 -20.449 -14.734
    3    H3   MET   1           HT3      MET   1  51.305 -19.301 -13.571
    4    HA   MET   1           HA       MET   1  51.675 -17.763 -15.756
    5    HB2  MET   1           HB2      MET   1  50.726 -20.515 -16.535
    6    HB3  MET   1           HB1      MET   1  50.199 -19.093 -17.436
    7    HG2  MET   1           HG2      MET   1  53.121 -19.544 -16.859
    8    HG3  MET   1           HG1      MET   1  52.345 -20.326 -18.236
    9    HE1  MET   1           HE1      MET   1  53.113 -18.898 -20.606
   10    HE2  MET   1           HE2      MET   1  54.219 -19.342 -19.307
   11    HE3  MET   1           HE3      MET   1  54.298 -17.728 -20.009
   12    H    GLU   2           HN       GLU   2  49.817 -16.526 -16.065
   13    HA   GLU   2           HA       GLU   2  47.763 -15.633 -15.553
   14    HB2  GLU   2           HB2      GLU   2  47.203 -18.130 -16.346
   15    HB3  GLU   2           HB1      GLU   2  46.665 -18.252 -14.671
   16    HG2  GLU   2           HG2      GLU   2  45.724 -16.293 -16.775
   17    HG3  GLU   2           HG1      GLU   2  44.768 -17.513 -15.934
   18    H    GLU   3           HN       GLU   3  49.735 -15.580 -13.564
   19    HA   GLU   3           HA       GLU   3  49.243 -16.511 -11.057
   20    HB2  GLU   3           HB2      GLU   3  50.294 -13.919 -12.088
   21    HB3  GLU   3           HB1      GLU   3  49.914 -14.025 -10.368
   22    HG2  GLU   3           HG2      GLU   3  51.504 -16.215 -11.667
   23    HG3  GLU   3           HG1      GLU   3  52.306 -14.713 -11.211
   24    H    GLY   4           HN       GLY   4  48.063 -15.764  -9.228
   25    HA2  GLY   4           HA2      GLY   4  46.130 -13.700  -9.309
   26    HA3  GLY   4           HA1      GLY   4  45.352 -15.238  -9.668
   27    H    GLY   5           HN       GLY   5  48.141 -15.029  -7.573
   28    HA2  GLY   5           HA2      GLY   5  47.024 -16.486  -5.475
   29    HA3  GLY   5           HA1      GLY   5  48.422 -15.425  -5.323
   30    H    ASP   6           HN       ASP   6  47.517 -15.030  -3.151
   31    HA   ASP   6           HA       ASP   6  45.044 -13.811  -2.662
   32    HB2  ASP   6           HB2      ASP   6  47.134 -14.618  -1.106
   33    HB3  ASP   6           HB1      ASP   6  47.286 -12.865  -0.998
   34    H    PHE   7           HN       PHE   7  48.129 -12.453  -3.684
   35    HA   PHE   7           HA       PHE   7  46.748  -9.928  -4.297
   36    HB2  PHE   7           HB2      PHE   7  48.412  -8.578  -3.279
   37    HB3  PHE   7           HB1      PHE   7  48.007  -9.802  -2.075
   38    HD1  PHE   7           HD2      PHE   7  49.465 -11.917  -1.969
   39    HD2  PHE   7           HD1      PHE   7  50.627  -8.350  -4.061
   40    HE1  PHE   7           HE2      PHE   7  51.830 -12.662  -1.927
   41    HE2  PHE   7           HE1      PHE   7  52.992  -9.096  -4.020
   42    HZ   PHE   7           HZ       PHE   7  53.594 -11.252  -2.953
   43    H    ASP   8           HN       ASP   8  49.168 -12.297  -4.962
   44    HA   ASP   8           HA       ASP   8  50.786 -10.970  -6.815
   45    HB2  ASP   8           HB2      ASP   8  51.118 -13.298  -5.875
   46    HB3  ASP   8           HB1      ASP   8  49.913 -13.853  -7.036
   47    H    ASN   9           HN       ASN   9  49.977  -9.752  -8.418
   48    HA   ASN   9           HA       ASN   9  47.696 -10.766  -9.976
   49    HB2  ASN   9           HB2      ASN   9  48.903  -8.047 -10.350
   50    HB3  ASN   9           HB1      ASN   9  47.235  -8.568 -10.581
   51   HD21  ASN   9          HD21      ASN   9  49.040  -6.696  -8.560
   52   HD22  ASN   9          HD22      ASN   9  48.164  -6.892  -7.119
   53    H    TYR  10           HN       TYR  10  50.915  -9.309 -10.452
   54    HA   TYR  10           HA       TYR  10  51.187 -10.900 -12.915
   55    HB2  TYR  10           HB2      TYR  10  52.267  -8.121 -12.931
   56    HB3  TYR  10           HB1      TYR  10  51.677  -9.108 -14.269
   57    HD1  TYR  10           HD1      TYR  10  49.136  -9.646 -14.308
   58    HD2  TYR  10           HD2      TYR  10  50.874  -6.493 -11.966
   59    HE1  TYR  10           HE1      TYR  10  46.919  -8.545 -14.145
   60    HE2  TYR  10           HE2      TYR  10  48.658  -5.391 -11.802
   61    HH   TYR  10           HH       TYR  10  45.750  -6.906 -13.182
   62    H    TYR  11           HN       TYR  11  52.666  -9.081 -10.298
   63    HA   TYR  11           HA       TYR  11  54.703  -9.294  -9.258
   64    HB2  TYR  11           HB2      TYR  11  54.025 -11.785  -9.551
   65    HB3  TYR  11           HB1      TYR  11  55.224 -11.794 -10.844
   66    HD1  TYR  11           HD2      TYR  11  57.604 -11.402 -10.367
   67    HD2  TYR  11           HD1      TYR  11  54.678 -11.515  -7.223
   68    HE1  TYR  11           HE2      TYR  11  59.417 -11.617  -8.687
   69    HE2  TYR  11           HE1      TYR  11  56.491 -11.731  -5.544
   70    HH   TYR  11           HH       TYR  11  59.413 -10.927  -5.883
   71    H    GLY  12           HN       GLY  12  55.969  -7.680  -9.978
   72    HA2  GLY  12           HA2      GLY  12  57.852  -6.816 -11.042
   73    HA3  GLY  12           HA1      GLY  12  57.913  -8.261 -12.048
   74    H    ALA  13           HN       ALA  13  55.058  -7.972 -12.787
   75    HA   ALA  13           HA       ALA  13  55.460  -6.135 -15.008
   76    HB1  ALA  13           HB1      ALA  13  54.187  -7.646 -16.060
   77    HB2  ALA  13           HB2      ALA  13  52.832  -7.210 -15.020
   78    HB3  ALA  13           HB3      ALA  13  53.929  -8.506 -14.542
   79    H    ASP  14           HN       ASP  14  53.952  -6.140 -11.930
   80    HA   ASP  14           HA       ASP  14  51.813  -4.371 -12.330
   81    HB2  ASP  14           HB2      ASP  14  52.286  -5.667 -10.233
   82    HB3  ASP  14           HB1      ASP  14  53.577  -4.519  -9.879
   83    H    ASN  15           HN       ASN  15  55.154  -3.852 -12.619
   84    HA   ASN  15           HA       ASN  15  55.467  -1.205 -11.760
   85    HB2  ASN  15           HB2      ASN  15  57.178  -2.971 -12.735
   86    HB3  ASN  15           HB1      ASN  15  56.840  -2.132 -14.248
   87   HD21  ASN  15          HD21      ASN  15  58.180  -0.367 -14.619
   88   HD22  ASN  15          HD22      ASN  15  58.951   0.542 -13.411
   89    H    GLN  16           HN       GLN  16  54.170  -2.525 -14.761
   90    HA   GLN  16           HA       GLN  16  53.695   0.202 -15.768
   91    HB2  GLN  16           HB2      GLN  16  53.207  -2.374 -17.263
   92    HB3  GLN  16           HB1      GLN  16  53.428  -0.753 -17.922
   93    HG2  GLN  16           HG2      GLN  16  55.759  -0.904 -16.688
   94    HG3  GLN  16           HG1      GLN  16  55.475  -2.639 -16.809
   95   HE21  GLN  16          HE21      GLN  16  56.910  -0.111 -18.447
   96   HE22  GLN  16          HE22      GLN  16  56.838  -0.735 -20.025
   97    H    SER  17           HN       SER  17  52.142  -0.591 -13.584
   98    HA   SER  17           HA       SER  17  49.495  -0.304 -14.711
   99    HB2  SER  17           HB2      SER  17  50.459  -2.913 -13.876
  100    HB3  SER  17           HB1      SER  17  49.057  -2.410 -12.936
  101    HG   SER  17           HG       SER  17  49.316  -2.930 -15.663
  102    H    GLU  18           HN       GLU  18  47.927   0.305 -13.143
  103    HA   GLU  18           HA       GLU  18  47.324   1.635 -11.355
  104    HB2  GLU  18           HB2      GLU  18  47.583  -0.841 -10.498
  105    HB3  GLU  18           HB1      GLU  18  48.946  -0.169  -9.601
  106    HG2  GLU  18           HG2      GLU  18  47.389   1.623  -8.744
  107    HG3  GLU  18           HG1      GLU  18  46.058   0.733  -9.481
  108    H    CYS  19           HN       CYS  19  49.598   2.608 -12.686
  109    HA   CYS  19           HA       CYS  19  51.063   3.849 -10.437
  110    HB2  CYS  19           HB2      CYS  19  52.102   2.511 -12.874
  111    HB3  CYS  19           HB1      CYS  19  52.888   4.019 -12.408
  112    HG   CYS  19           HG       CYS  19  53.653   1.576 -11.147
  113    H    GLU  20           HN       GLU  20  49.392   5.498 -10.643
  114    HA   GLU  20           HA       GLU  20  48.615   7.537 -11.351
  115    HB2  GLU  20           HB2      GLU  20  51.322   7.665 -12.708
  116    HB3  GLU  20           HB1      GLU  20  50.249   9.033 -12.415
  117    HG2  GLU  20           HG2      GLU  20  51.142   7.268 -10.142
  118    HG3  GLU  20           HG1      GLU  20  52.159   8.589 -10.710
  119    H    TYR  21           HN       TYR  21  48.575   5.002 -13.152
  120    HA   TYR  21           HA       TYR  21  47.984   6.349 -15.711
  121    HB2  TYR  21           HB2      TYR  21  48.554   3.455 -15.045
  122    HB3  TYR  21           HB1      TYR  21  48.001   4.000 -16.628
  123    HD1  TYR  21           HD2      TYR  21  49.357   6.097 -17.595
  124    HD2  TYR  21           HD1      TYR  21  50.859   3.297 -14.702
  125    HE1  TYR  21           HE2      TYR  21  51.681   6.713 -18.204
  126    HE2  TYR  21           HE1      TYR  21  53.181   3.913 -15.312
  127    HH   TYR  21           HH       TYR  21  54.322   4.900 -17.439
  128    H    THR  22           HN       THR  22  45.930   7.115 -15.306
  129    HA   THR  22           HA       THR  22  43.643   7.030 -15.313
  130    HB   THR  22           HB       THR  22  44.407   4.623 -16.543
  131    HG1  THR  22           HG1      THR  22  42.887   5.435 -17.689
  132   HG21  THR  22          HG21      THR  22  42.759   2.998 -15.825
  133   HG22  THR  22          HG22      THR  22  42.109   4.110 -14.626
  134   HG23  THR  22          HG23      THR  22  43.730   3.437 -14.425
  135    H    ASP  23           HN       ASP  23  45.595   5.477 -13.045
  136    HA   ASP  23           HA       ASP  23  43.446   4.769 -11.216
  137    HB2  ASP  23           HB2      ASP  23  45.414   4.321  -9.656
  138    HB3  ASP  23           HB1      ASP  23  45.331   3.330 -11.112
  139    H    TRP  24           HN       TRP  24  43.799   7.575 -12.130
  140    HA   TRP  24           HA       TRP  24  43.831   8.800  -9.461
  141    HB2  TRP  24           HB2      TRP  24  45.120  10.752 -10.484
  142    HB3  TRP  24           HB1      TRP  24  46.047   9.287 -10.160
  143    HD1  TRP  24           HD1      TRP  24  46.189   7.545 -12.372
  144    HE1  TRP  24           HE1      TRP  24  46.631   8.176 -14.833
  145    HE3  TRP  24           HE3      TRP  24  44.934  12.494 -12.253
  146    HZ2  TRP  24           HZ2      TRP  24  46.472  10.475 -16.527
  147    HZ3  TRP  24           HZ3      TRP  24  45.089  13.879 -14.302
  148    HH2  TRP  24           HH2      TRP  24  45.856  12.877 -16.436
  149    H    LYS  25           HN       LYS  25  43.658   9.921 -12.847
  150    HA   LYS  25           HA       LYS  25  42.132  11.272 -13.909
  151    HB2  LYS  25           HB2      LYS  25  40.359   9.529 -12.199
  152    HB3  LYS  25           HB1      LYS  25  39.706  10.702 -13.343
  153    HG2  LYS  25           HG2      LYS  25  41.824   8.838 -14.326
  154    HG3  LYS  25           HG1      LYS  25  40.206   8.182 -14.070
  155    HD2  LYS  25           HD2      LYS  25  39.246   9.546 -15.694
  156    HD3  LYS  25           HD1      LYS  25  40.509  10.770 -15.558
  157    HE2  LYS  25           HE2      LYS  25  42.076   9.431 -16.758
  158    HE3  LYS  25           HE1      LYS  25  41.064   7.993 -16.619
  159    HZ1  LYS  25           HZ1      LYS  25  39.409   9.053 -18.010
  160    HZ2  LYS  25           HZ2      LYS  25  40.904   8.994 -18.816
  161    HZ3  LYS  25           HZ3      LYS  25  40.362  10.451 -18.130
  162    H    SER  26           HN       SER  26  43.078  11.841 -10.942
  163    HA   SER  26           HA       SER  26  42.189  14.469 -10.767
  164    HB2  SER  26           HB2      SER  26  40.642  14.021  -8.676
  165    HB3  SER  26           HB1      SER  26  39.979  13.975 -10.307
  166    HG   SER  26           HG       SER  26  40.165  12.011  -8.474
  167    H    SER  27           HN       SER  27  42.069  12.138  -8.097
  168    HA   SER  27           HA       SER  27  43.443  11.818  -6.281
  169    HB2  SER  27           HB2      SER  27  45.644  11.593  -6.760
  170    HB3  SER  27           HB1      SER  27  45.150  11.933  -8.415
  171    HG   SER  27           HG       SER  27  46.837  13.315  -7.693
  172    H    GLY  28           HN       GLY  28  42.509  14.760  -7.452
  173    HA2  GLY  28           HA2      GLY  28  42.775  16.038  -4.894
  174    HA3  GLY  28           HA1      GLY  28  43.849  16.737  -6.101
  175    H    ALA  29           HN       ALA  29  40.841  15.366  -7.132
  176    HA   ALA  29           HA       ALA  29  39.876  18.067  -7.803
  177    HB1  ALA  29           HB1      ALA  29  40.169  16.218  -9.567
  178    HB2  ALA  29           HB2      ALA  29  38.632  17.084  -9.553
  179    HB3  ALA  29           HB3      ALA  29  38.745  15.473  -8.842
  180    H    LEU  30           HN       LEU  30  39.130  15.211  -5.954
  181    HA   LEU  30           HA       LEU  30  36.799  16.609  -4.820
  182    HB2  LEU  30           HB2      LEU  30  35.529  14.487  -4.798
  183    HB3  LEU  30           HB1      LEU  30  35.901  15.013  -6.440
  184    HG   LEU  30           HG       LEU  30  38.108  13.487  -5.793
  185   HD11  LEU  30          HD11      LEU  30  35.689  11.956  -4.823
  186   HD12  LEU  30          HD12      LEU  30  36.764  12.808  -3.715
  187   HD13  LEU  30          HD13      LEU  30  37.387  11.492  -4.710
  188   HD21  LEU  30          HD21      LEU  30  36.942  11.743  -7.234
  189   HD22  LEU  30          HD22      LEU  30  37.007  13.364  -7.927
  190   HD23  LEU  30          HD23      LEU  30  35.515  12.778  -7.190
  191    H    ILE  31           HN       ILE  31  39.735  15.347  -4.266
  192    HA   ILE  31           HA       ILE  31  39.241  13.815  -1.886
  193    HB   ILE  31           HB       ILE  31  41.884  15.105  -2.458
  194   HG12  ILE  31          HG12      ILE  31  41.147  14.293  -4.648
  195   HG13  ILE  31          HG11      ILE  31  42.380  13.211  -4.007
  196   HG21  ILE  31          HG21      ILE  31  42.700  12.967  -1.568
  197   HG22  ILE  31          HG22      ILE  31  41.044  12.372  -1.457
  198   HG23  ILE  31          HG23      ILE  31  41.567  13.717  -0.443
  199   HD11  ILE  31          HD11      ILE  31  39.381  12.754  -3.970
  200   HD12  ILE  31          HD12      ILE  31  40.552  11.711  -3.165
  201   HD13  ILE  31          HD13      ILE  31  40.572  11.870  -4.919
  202    HA   PRO  32           HA       PRO  32  40.669  18.058   0.097
  203    HB2  PRO  32           HB2      PRO  32  39.158  19.925  -1.631
  204    HB3  PRO  32           HB1      PRO  32  40.811  20.055  -1.007
  205    HG2  PRO  32           HG2      PRO  32  40.291  19.543  -3.585
  206    HG3  PRO  32           HG1      PRO  32  41.707  18.881  -2.750
  207    HD2  PRO  32           HD2      PRO  32  39.149  17.515  -3.497
  208    HD3  PRO  32           HD1      PRO  32  40.805  16.874  -3.472
  209    H    ALA  33           HN       ALA  33  37.787  16.742  -0.971
  210    HA   ALA  33           HA       ALA  33  36.135  18.301   0.911
  211    HB1  ALA  33           HB1      ALA  33  34.213  17.284  -0.231
  212    HB2  ALA  33           HB2      ALA  33  35.307  16.340  -1.243
  213    HB3  ALA  33           HB3      ALA  33  35.270  18.098  -1.386
  214    H    ILE  34           HN       ILE  34  35.882  14.927  -0.169
  215    HA   ILE  34           HA       ILE  34  34.809  13.807   2.061
  216    HB   ILE  34           HB       ILE  34  36.522  11.817   1.388
  217   HG12  ILE  34          HG12      ILE  34  36.186  13.344  -1.189
  218   HG13  ILE  34          HG11      ILE  34  37.613  13.588  -0.182
  219   HG21  ILE  34          HG21      ILE  34  34.052  12.805  -0.060
  220   HG22  ILE  34          HG22      ILE  34  34.128  11.612   1.237
  221   HG23  ILE  34          HG23      ILE  34  34.781  11.227  -0.355
  222   HD11  ILE  34          HD11      ILE  34  37.952  11.840  -1.936
  223   HD12  ILE  34          HD12      ILE  34  36.668  10.889  -1.189
  224   HD13  ILE  34          HD13      ILE  34  38.155  11.216  -0.299
  225    H    TYR  35           HN       TYR  35  38.335  13.736   1.476
  226    HA   TYR  35           HA       TYR  35  39.117  12.878   3.991
  227    HB2  TYR  35           HB2      TYR  35  41.076  12.983   2.910
  228    HB3  TYR  35           HB1      TYR  35  40.386  14.049   1.685
  229    HD1  TYR  35           HD1      TYR  35  40.513  16.486   1.910
  230    HD2  TYR  35           HD2      TYR  35  42.239  13.881   4.858
  231    HE1  TYR  35           HE1      TYR  35  41.779  18.397   2.857
  232    HE2  TYR  35           HE2      TYR  35  43.505  15.792   5.805
  233    HH   TYR  35           HH       TYR  35  44.202  17.931   5.367
  234    H    MET  36           HN       MET  36  38.612  16.212   2.857
  235    HA   MET  36           HA       MET  36  39.398  17.509   5.233
  236    HB2  MET  36           HB2      MET  36  39.162  18.781   3.203
  237    HB3  MET  36           HB1      MET  36  37.460  18.338   3.063
  238    HG2  MET  36           HG2      MET  36  36.839  19.668   4.915
  239    HG3  MET  36           HG1      MET  36  38.500  19.782   5.498
  240    HE1  MET  36           HE1      MET  36  36.332  22.156   2.313
  241    HE2  MET  36           HE2      MET  36  35.816  21.924   3.982
  242    HE3  MET  36           HE3      MET  36  35.957  20.534   2.909
  243    H    LEU  37           HN       LEU  37  36.343  16.077   4.225
  244    HA   LEU  37           HA       LEU  37  34.828  17.128   6.428
  245    HB2  LEU  37           HB2      LEU  37  34.308  14.928   4.425
  246    HB3  LEU  37           HB1      LEU  37  33.162  15.355   5.697
  247    HG   LEU  37           HG       LEU  37  34.258  17.563   4.006
  248   HD11  LEU  37          HD11      LEU  37  32.124  17.020   2.535
  249   HD12  LEU  37          HD12      LEU  37  32.435  15.372   3.080
  250   HD13  LEU  37          HD13      LEU  37  33.670  16.252   2.180
  251   HD21  LEU  37          HD21      LEU  37  32.561  17.599   6.041
  252   HD22  LEU  37          HD22      LEU  37  31.395  17.148   4.797
  253   HD23  LEU  37          HD23      LEU  37  32.304  18.652   4.649
  254    H    VAL  38           HN       VAL  38  37.244  15.916   7.302
  255    HA   VAL  38           HA       VAL  38  36.121  13.803   9.022
  256    HB   VAL  38           HB       VAL  38  38.813  13.669   7.642
  257   HG11  VAL  38          HG11      VAL  38  39.357  12.340   9.382
  258   HG12  VAL  38          HG12      VAL  38  38.145  11.205   8.789
  259   HG13  VAL  38          HG13      VAL  38  37.713  12.395  10.018
  260   HG21  VAL  38          HG21      VAL  38  36.925  13.158   6.140
  261   HG22  VAL  38          HG22      VAL  38  36.287  12.014   7.320
  262   HG23  VAL  38          HG23      VAL  38  37.827  11.691   6.521
  263    H    PHE  39           HN       PHE  39  38.597  16.249   8.461
  264    HA   PHE  39           HA       PHE  39  39.862  16.103  10.986
  265    HB2  PHE  39           HB2      PHE  39  41.073  17.331   9.427
  266    HB3  PHE  39           HB1      PHE  39  39.649  18.196   8.849
  267    HD1  PHE  39           HD2      PHE  39  41.356  17.651  12.154
  268    HD2  PHE  39           HD1      PHE  39  39.601  20.458   9.416
  269    HE1  PHE  39           HE2      PHE  39  41.847  19.498  13.733
  270    HE2  PHE  39           HE1      PHE  39  40.093  22.305  10.995
  271    HZ   PHE  39           HZ       PHE  39  41.216  21.825  13.153
  272    H    LEU  40           HN       LEU  40  36.832  17.379   9.968
  273    HA   LEU  40           HA       LEU  40  36.345  18.375  12.701
  274    HB2  LEU  40           HB2      LEU  40  35.106  20.290  11.790
  275    HB3  LEU  40           HB1      LEU  40  36.787  20.323  11.254
  276    HG   LEU  40           HG       LEU  40  35.428  18.775   9.339
  277   HD11  LEU  40          HD11      LEU  40  33.924  21.344   9.923
  278   HD12  LEU  40          HD12      LEU  40  33.322  19.731  10.303
  279   HD13  LEU  40          HD13      LEU  40  33.589  20.198   8.624
  280   HD21  LEU  40          HD21      LEU  40  37.304  20.281   8.892
  281   HD22  LEU  40          HD22      LEU  40  36.315  21.679   9.318
  282   HD23  LEU  40          HD23      LEU  40  35.935  20.736   7.877
  283    H    LEU  41           HN       LEU  41  35.583  16.162  10.492
  284    HA   LEU  41           HA       LEU  41  32.916  15.760  11.584
  285    HB2  LEU  41           HB2      LEU  41  32.681  17.221   9.514
  286    HB3  LEU  41           HB1      LEU  41  33.281  15.847   8.587
  287    HG   LEU  41           HG       LEU  41  31.396  14.553   9.950
  288   HD11  LEU  41          HD11      LEU  41  30.944  16.922  11.066
  289   HD12  LEU  41          HD12      LEU  41  29.610  15.832  10.692
  290   HD13  LEU  41          HD13      LEU  41  29.985  17.172   9.608
  291   HD21  LEU  41          HD21      LEU  41  29.786  15.298   8.044
  292   HD22  LEU  41          HD22      LEU  41  31.302  14.515   7.594
  293   HD23  LEU  41          HD23      LEU  41  31.148  16.267   7.483
  294    H    GLY  42           HN       GLY  42  34.502  14.076  12.439
  295    HA2  GLY  42           HA2      GLY  42  33.905  11.557  11.509
  296    HA3  GLY  42           HA1      GLY  42  35.395  11.998  10.679
  297    H    THR  43           HN       THR  43  36.121  13.700  13.084
  298    HA   THR  43           HA       THR  43  36.843  11.544  14.971
  299    HB   THR  43           HB       THR  43  38.778  12.026  13.520
  300    HG1  THR  43           HG1      THR  43  40.078  12.020  15.194
  301   HG21  THR  43          HG21      THR  43  37.904  14.496  13.255
  302   HG22  THR  43          HG22      THR  43  39.634  14.162  13.189
  303   HG23  THR  43          HG23      THR  43  38.913  14.791  14.671
  304    H    THR  44           HN       THR  44  36.607  15.050  14.429
  305    HA   THR  44           HA       THR  44  36.895  15.950  17.037
  306    HB   THR  44           HB       THR  44  36.487  17.234  14.771
  307    HG1  THR  44           HG1      THR  44  36.140  17.853  17.404
  308   HG21  THR  44          HG21      THR  44  34.283  17.943  14.359
  309   HG22  THR  44          HG22      THR  44  33.727  17.452  15.959
  310   HG23  THR  44          HG23      THR  44  34.094  16.231  14.739
  311    H    GLY  45           HN       GLY  45  34.571  13.872  15.806
  312    HA2  GLY  45           HA2      GLY  45  33.137  12.735  17.417
  313    HA3  GLY  45           HA1      GLY  45  32.827  14.304  18.157
  314    H    ASN  46           HN       ASN  46  32.800  13.142  14.801
  315    HA   ASN  46           HA       ASN  46  30.684  14.708  13.901
  316    HB2  ASN  46           HB2      ASN  46  31.985  13.639  12.259
  317    HB3  ASN  46           HB1      ASN  46  31.796  12.058  13.017
  318   HD21  ASN  46          HD21      ASN  46  30.965  11.280  10.871
  319   HD22  ASN  46          HD22      ASN  46  29.359  11.612  10.434
  320    H    GLY  47           HN       GLY  47  29.170  14.636  15.692
  321    HA2  GLY  47           HA2      GLY  47  26.808  13.472  15.364
  322    HA3  GLY  47           HA1      GLY  47  27.700  12.140  16.096
  323    H    LEU  48           HN       LEU  48  29.266  14.449  17.513
  324    HA   LEU  48           HA       LEU  48  27.528  14.469  19.862
  325    HB2  LEU  48           HB2      LEU  48  30.424  15.113  19.363
  326    HB3  LEU  48           HB1      LEU  48  29.638  15.626  20.854
  327    HG   LEU  48           HG       LEU  48  30.801  13.381  20.998
  328   HD11  LEU  48          HD11      LEU  48  28.318  14.174  22.043
  329   HD12  LEU  48          HD12      LEU  48  29.329  12.853  22.624
  330   HD13  LEU  48          HD13      LEU  48  28.053  12.535  21.450
  331   HD21  LEU  48          HD21      LEU  48  29.916  11.499  19.833
  332   HD22  LEU  48          HD22      LEU  48  30.064  12.771  18.620
  333   HD23  LEU  48          HD23      LEU  48  28.488  12.397  19.317
  334    H    VAL  49           HN       VAL  49  28.589  16.563  17.329
  335    HA   VAL  49           HA       VAL  49  27.760  18.975  18.770
  336    HB   VAL  49           HB       VAL  49  28.522  20.125  16.662
  337   HG11  VAL  49          HG11      VAL  49  31.002  19.198  17.039
  338   HG12  VAL  49          HG12      VAL  49  30.236  18.435  18.433
  339   HG13  VAL  49          HG13      VAL  49  30.193  20.189  18.253
  340   HG21  VAL  49          HG21      VAL  49  29.582  17.373  15.954
  341   HG22  VAL  49          HG22      VAL  49  29.702  18.846  14.990
  342   HG23  VAL  49          HG23      VAL  49  28.136  18.071  15.225
  343    H    LEU  50           HN       LEU  50  25.951  16.731  17.739
  344    HA   LEU  50           HA       LEU  50  24.047  18.509  16.345
  345    HB2  LEU  50           HB2      LEU  50  24.574  15.599  15.693
  346    HB3  LEU  50           HB1      LEU  50  23.321  16.603  14.966
  347    HG   LEU  50           HG       LEU  50  25.662  18.109  14.692
  348   HD11  LEU  50          HD11      LEU  50  26.934  16.046  15.287
  349   HD12  LEU  50          HD12      LEU  50  27.252  16.583  13.636
  350   HD13  LEU  50          HD13      LEU  50  26.173  15.218  13.928
  351   HD21  LEU  50          HD21      LEU  50  25.361  17.602  12.291
  352   HD22  LEU  50          HD22      LEU  50  23.808  17.909  13.069
  353   HD23  LEU  50          HD23      LEU  50  24.301  16.255  12.709
  354    H    TRP  51           HN       TRP  51  24.694  16.708  19.021
  355    HA   TRP  51           HA       TRP  51  21.907  15.842  19.416
  356    HB2  TRP  51           HB2      TRP  51  22.929  14.034  20.271
  357    HB3  TRP  51           HB1      TRP  51  24.498  14.841  20.269
  358    HD1  TRP  51           HD1      TRP  51  21.242  14.919  22.367
  359    HE1  TRP  51           HE1      TRP  51  21.894  15.274  24.837
  360    HE3  TRP  51           HE3      TRP  51  26.306  15.369  21.888
  361    HZ2  TRP  51           HZ2      TRP  51  24.251  15.694  26.401
  362    HZ3  TRP  51           HZ3      TRP  51  27.729  15.746  23.882
  363    HH2  TRP  51           HH2      TRP  51  26.708  15.909  26.135
  364    H    THR  52           HN       THR  52  24.502  17.364  21.346
  365    HA   THR  52           HA       THR  52  22.593  18.543  23.160
  366    HB   THR  52           HB       THR  52  24.771  17.857  23.999
  367    HG1  THR  52           HG1      THR  52  25.459  20.134  24.643
  368   HG21  THR  52          HG21      THR  52  25.899  19.937  22.105
  369   HG22  THR  52          HG22      THR  52  26.022  18.191  21.884
  370   HG23  THR  52          HG23      THR  52  26.824  18.965  23.250
  371    H    VAL  53           HN       VAL  53  24.495  19.587  20.396
  372    HA   VAL  53           HA       VAL  53  24.092  22.378  20.697
  373    HB   VAL  53           HB       VAL  53  24.622  20.726  18.216
  374   HG11  VAL  53          HG11      VAL  53  25.493  22.981  17.381
  375   HG12  VAL  53          HG12      VAL  53  24.625  23.707  18.734
  376   HG13  VAL  53          HG13      VAL  53  23.739  22.826  17.490
  377   HG21  VAL  53          HG21      VAL  53  26.395  20.533  19.883
  378   HG22  VAL  53          HG22      VAL  53  26.424  22.283  20.099
  379   HG23  VAL  53          HG23      VAL  53  26.950  21.575  18.572
  380    H    PHE  54           HN       PHE  54  22.019  19.831  19.717
  381    HA   PHE  54           HA       PHE  54  20.218  21.546  18.203
  382    HB2  PHE  54           HB2      PHE  54  20.753  18.890  18.045
  383    HB3  PHE  54           HB1      PHE  54  19.306  18.865  19.053
  384    HD1  PHE  54           HD1      PHE  54  20.687  19.772  15.760
  385    HD2  PHE  54           HD2      PHE  54  17.161  19.673  18.212
  386    HE1  PHE  54           HE1      PHE  54  19.282  20.191  13.759
  387    HE2  PHE  54           HE2      PHE  54  15.758  20.092  16.211
  388    HZ   PHE  54           HZ       PHE  54  16.818  20.350  13.985
  389    H    ARG  55           HN       ARG  55  20.743  20.690  21.450
  390    HA   ARG  55           HA       ARG  55  17.962  21.190  22.236
  391    HB2  ARG  55           HB2      ARG  55  20.398  20.177  23.690
  392    HB3  ARG  55           HB1      ARG  55  18.959  20.705  24.562
  393    HG2  ARG  55           HG2      ARG  55  17.682  18.946  23.805
  394    HG3  ARG  55           HG1      ARG  55  18.554  18.835  22.275
  395    HD2  ARG  55           HD2      ARG  55  20.399  17.716  23.300
  396    HD3  ARG  55           HD1      ARG  55  19.815  18.088  24.920
  397    HE   ARG  55           HE       ARG  55  18.897  15.939  23.200
  398   HH11  ARG  55          HH21      ARG  55  18.230  18.029  25.876
  399   HH12  ARG  55          HH22      ARG  55  17.077  16.960  26.602
  400   HH21  ARG  55          HH11      ARG  55  17.387  14.531  24.146
  401   HH22  ARG  55          HH12      ARG  55  16.600  14.980  25.623
  402    H    LYS  56           HN       LYS  56  21.041  22.743  22.070
  403    HA   LYS  56           HA       LYS  56  20.626  24.724  24.074
  404    HB2  LYS  56           HB2      LYS  56  22.440  24.575  21.666
  405    HB3  LYS  56           HB1      LYS  56  22.426  25.960  22.759
  406    HG2  LYS  56           HG2      LYS  56  22.931  24.476  24.659
  407    HG3  LYS  56           HG1      LYS  56  22.932  23.082  23.577
  408    HD2  LYS  56           HD2      LYS  56  24.787  24.107  22.287
  409    HD3  LYS  56           HD1      LYS  56  24.811  25.458  23.420
  410    HE2  LYS  56           HE2      LYS  56  24.885  23.007  24.910
  411    HE3  LYS  56           HE1      LYS  56  26.140  22.956  23.671
  412    HZ1  LYS  56           HZ1      LYS  56  27.252  24.099  25.255
  413    HZ2  LYS  56           HZ2      LYS  56  25.847  24.750  25.953
  414    HZ3  LYS  56           HZ3      LYS  56  26.477  25.420  24.526
  415    H    LYS  57           HN       LYS  57  20.351  24.847  20.516
  416    HA   LYS  57           HA       LYS  57  19.359  27.465  20.346
  417    HB2  LYS  57           HB2      LYS  57  18.552  26.811  18.111
  418    HB3  LYS  57           HB1      LYS  57  20.194  26.233  18.397
  419    HG2  LYS  57           HG2      LYS  57  19.399  24.205  17.772
  420    HG3  LYS  57           HG1      LYS  57  18.663  24.157  19.374
  421    HD2  LYS  57           HD2      LYS  57  16.683  25.418  18.308
  422    HD3  LYS  57           HD1      LYS  57  17.392  24.967  16.757
  423    HE2  LYS  57           HE2      LYS  57  17.456  22.559  17.791
  424    HE3  LYS  57           HE1      LYS  57  16.238  23.198  18.894
  425    HZ1  LYS  57           HZ1      LYS  57  16.053  22.629  16.056
  426    HZ2  LYS  57           HZ2      LYS  57  15.308  24.070  16.560
  427    HZ3  LYS  57           HZ3      LYS  57  14.853  22.587  17.252
  428    H    GLY  58           HN       GLY  58  17.973  24.904  21.892
  429    HA2  GLY  58           HA2      GLY  58  15.900  24.671  22.883
  430    HA3  GLY  58           HA1      GLY  58  15.457  26.236  22.208
  431    H    HIS  59           HN       HIS  59  14.480  26.345  20.170
  432    HA   HIS  59           HA       HIS  59  14.114  24.103  18.462
  433    HB2  HIS  59           HB2      HIS  59  12.512  23.947  20.694
  434    HB3  HIS  59           HB1      HIS  59  11.457  24.743  19.525
  435    HD2  HIS  59           HD2      HIS  59  13.981  21.688  18.997
  436    HE1  HIS  59           HE1      HIS  59  10.216  20.704  17.358
  437    HE2  HIS  59           HE2      HIS  59  12.596  19.888  17.709
  438    H    HIS  60           HN       HIS  60  14.735  26.985  18.441
  439    HA   HIS  60           HA       HIS  60  12.793  27.762  16.373
  440    HB2  HIS  60           HB2      HIS  60  13.018  28.984  18.958
  441    HB3  HIS  60           HB1      HIS  60  13.551  30.132  17.730
  442    HD2  HIS  60           HD2      HIS  60  11.518  31.027  15.974
  443    HE1  HIS  60           HE1      HIS  60   8.366  28.874  17.777
  444    HE2  HIS  60           HE2      HIS  60   8.935  30.659  16.062
  445    H    HIS  61           HN       HIS  61  13.692  29.999  15.418
  446    HA   HIS  61           HA       HIS  61  16.617  29.907  15.198
  447    HB2  HIS  61           HB2      HIS  61  15.640  28.451  13.394
  448    HB3  HIS  61           HB1      HIS  61  14.831  29.883  12.758
  449    HD2  HIS  61           HD2      HIS  61  18.067  31.278  13.878
  450    HE1  HIS  61           HE1      HIS  61  18.926  29.784  10.024
  451    HE2  HIS  61           HE2      HIS  61  19.768  31.280  11.897
  452    H    HIS  62           HN       HIS  62  16.163  31.887  16.492
  453    HA   HIS  62           HA       HIS  62  14.870  34.119  15.224
  454    HB2  HIS  62           HB2      HIS  62  16.189  33.560  17.789
  455    HB3  HIS  62           HB1      HIS  62  16.429  35.206  17.203
  456    HD2  HIS  62           HD2      HIS  62  13.033  33.295  16.571
  457    HE1  HIS  62           HE1      HIS  62  12.292  36.504  19.212
  458    HE2  HIS  62           HE2      HIS  62  11.206  34.663  17.841
  459    H    HIS  63           HN       HIS  63  18.270  33.404  16.051
  460    HA   HIS  63           HA       HIS  63  19.315  34.330  13.600
  461    HB2  HIS  63           HB2      HIS  63  20.445  36.412  14.568
  462    HB3  HIS  63           HB1      HIS  63  18.728  36.550  14.190
  463    HD2  HIS  63           HD2      HIS  63  20.900  35.861  17.462
  464    HE1  HIS  63           HE1      HIS  63  17.235  37.637  18.571
  465    HE2  HIS  63           HE2      HIS  63  19.471  36.800  19.436
  466    H    HIS  64           HN       HIS  64  19.727  32.116  15.252
  467    HA   HIS  64           HA       HIS  64  21.343  30.917  16.392
  468    HB2  HIS  64           HB2      HIS  64  22.224  31.419  13.980
  469    HB3  HIS  64           HB1      HIS  64  23.364  32.476  14.814
  470    HD2  HIS  64           HD2      HIS  64  22.963  28.747  14.017
  471    HE1  HIS  64           HE1      HIS  64  25.877  28.993  17.062
  472    HE2  HIS  64           HE2      HIS  64  24.794  27.454  15.356
  Start of MODEL   36
    1    H1   MET   1           HT1      MET   1  54.191   4.511 -14.271
    2    H2   MET   1           HT2      MET   1  54.585   2.905 -14.667
    3    H3   MET   1           HT3      MET   1  54.972   3.525 -13.133
    4    HA   MET   1           HA       MET   1  53.040   2.078 -13.016
    5    HB2  MET   1           HB2      MET   1  51.429   4.030 -12.204
    6    HB3  MET   1           HB1      MET   1  52.902   3.645 -11.316
    7    HG2  MET   1           HG2      MET   1  54.107   5.436 -12.384
    8    HG3  MET   1           HG1      MET   1  52.782   5.728 -13.511
    9    HE1  MET   1           HE1      MET   1  53.014   8.853 -11.333
   10    HE2  MET   1           HE2      MET   1  53.929   7.874 -12.476
   11    HE3  MET   1           HE3      MET   1  54.281   7.763 -10.754
   12    H    GLU   2           HN       GLU   2  52.782   1.536 -15.388
   13    HA   GLU   2           HA       GLU   2  50.179   2.521 -16.281
   14    HB2  GLU   2           HB2      GLU   2  51.727   4.008 -17.438
   15    HB3  GLU   2           HB1      GLU   2  52.656   2.624 -18.019
   16    HG2  GLU   2           HG2      GLU   2  51.082   2.048 -19.588
   17    HG3  GLU   2           HG1      GLU   2  49.737   2.615 -18.599
   18    H    GLU   3           HN       GLU   3  49.735   0.310 -15.505
   19    HA   GLU   3           HA       GLU   3  50.842  -2.014 -16.593
   20    HB2  GLU   3           HB2      GLU   3  48.016  -1.502 -15.636
   21    HB3  GLU   3           HB1      GLU   3  48.701  -3.098 -15.941
   22    HG2  GLU   3           HG2      GLU   3  50.530  -2.533 -14.295
   23    HG3  GLU   3           HG1      GLU   3  49.630  -1.072 -13.892
   24    H    GLY   4           HN       GLY   4  49.621  -3.564 -18.043
   25    HA2  GLY   4           HA2      GLY   4  47.708  -3.162 -19.864
   26    HA3  GLY   4           HA1      GLY   4  49.008  -2.182 -20.536
   27    H    GLY   5           HN       GLY   5  51.215  -3.745 -19.872
   28    HA2  GLY   5           HA2      GLY   5  51.545  -6.319 -20.141
   29    HA3  GLY   5           HA1      GLY   5  50.841  -5.999 -21.724
   30    H    ASP   6           HN       ASP   6  52.492  -6.231 -23.122
   31    HA   ASP   6           HA       ASP   6  55.198  -5.682 -22.605
   32    HB2  ASP   6           HB2      ASP   6  53.560  -6.107 -25.069
   33    HB3  ASP   6           HB1      ASP   6  55.202  -5.488 -25.242
   34    H    PHE   7           HN       PHE   7  54.912  -3.575 -21.501
   35    HA   PHE   7           HA       PHE   7  55.383  -1.407 -23.397
   36    HB2  PHE   7           HB2      PHE   7  53.133  -1.377 -21.378
   37    HB3  PHE   7           HB1      PHE   7  53.769   0.078 -22.145
   38    HD1  PHE   7           HD1      PHE   7  53.546   0.424 -24.582
   39    HD2  PHE   7           HD2      PHE   7  51.814  -2.984 -22.623
   40    HE1  PHE   7           HE1      PHE   7  52.147  -0.015 -26.582
   41    HE2  PHE   7           HE2      PHE   7  50.414  -3.422 -24.623
   42    HZ   PHE   7           HZ       PHE   7  50.581  -1.938 -26.602
   43    H    ASP   8           HN       ASP   8  54.496  -0.098 -20.495
   44    HA   ASP   8           HA       ASP   8  55.786   1.035 -18.940
   45    HB2  ASP   8           HB2      ASP   8  55.483  -1.436 -18.157
   46    HB3  ASP   8           HB1      ASP   8  57.201  -1.580 -18.523
   47    H    ASN   9           HN       ASN   9  57.028   2.434 -20.184
   48    HA   ASN   9           HA       ASN   9  59.828   1.580 -20.592
   49    HB2  ASN   9           HB2      ASN   9  58.068   2.036 -22.660
   50    HB3  ASN   9           HB1      ASN   9  58.866   3.597 -22.487
   51   HD21  ASN   9          HD21      ASN   9  60.862   3.778 -23.517
   52   HD22  ASN   9          HD22      ASN   9  61.821   2.465 -24.006
   53    H    TYR  10           HN       TYR  10  57.725   3.648 -19.087
   54    HA   TYR  10           HA       TYR  10  57.998   5.526 -17.816
   55    HB2  TYR  10           HB2      TYR  10  60.681   4.428 -18.013
   56    HB3  TYR  10           HB1      TYR  10  60.709   6.188 -17.923
   57    HD1  TYR  10           HD1      TYR  10  58.516   3.521 -16.448
   58    HD2  TYR  10           HD2      TYR  10  61.035   6.927 -15.731
   59    HE1  TYR  10           HE1      TYR  10  57.997   3.396 -14.027
   60    HE2  TYR  10           HE2      TYR  10  60.515   6.801 -13.311
   61    HH   TYR  10           HH       TYR  10  58.899   4.094 -11.916
   62    H    TYR  11           HN       TYR  11  59.731   5.477 -20.890
   63    HA   TYR  11           HA       TYR  11  59.709   7.007 -22.613
   64    HB2  TYR  11           HB2      TYR  11  57.323   7.452 -21.530
   65    HB3  TYR  11           HB1      TYR  11  58.087   8.967 -21.049
   66    HD1  TYR  11           HD2      TYR  11  57.871   6.735 -24.063
   67    HD2  TYR  11           HD1      TYR  11  57.956  10.753 -22.545
   68    HE1  TYR  11           HE2      TYR  11  57.566   7.610 -26.363
   69    HE2  TYR  11           HE1      TYR  11  57.652  11.627 -24.844
   70    HH   TYR  11           HH       TYR  11  57.578   9.444 -27.647
   71    H    GLY  12           HN       GLY  12  59.479   9.948 -22.006
   72    HA2  GLY  12           HA2      GLY  12  62.065  10.751 -21.989
   73    HA3  GLY  12           HA1      GLY  12  60.790  11.706 -21.237
   74    H    ALA  13           HN       ALA  13  60.234   9.608 -19.237
   75    HA   ALA  13           HA       ALA  13  60.849   9.061 -17.096
   76    HB1  ALA  13           HB1      ALA  13  63.704   9.209 -17.265
   77    HB2  ALA  13           HB2      ALA  13  63.086   8.467 -18.740
   78    HB3  ALA  13           HB3      ALA  13  62.679   7.776 -17.170
   79    H    ASP  14           HN       ASP  14  63.574  11.163 -18.037
   80    HA   ASP  14           HA       ASP  14  63.853  12.547 -15.680
   81    HB2  ASP  14           HB2      ASP  14  64.480  13.108 -18.516
   82    HB3  ASP  14           HB1      ASP  14  64.425  14.513 -17.453
   83    H    ASN  15           HN       ASN  15  61.421  12.954 -18.157
   84    HA   ASN  15           HA       ASN  15  60.455  15.501 -17.439
   85    HB2  ASN  15           HB2      ASN  15  59.755  14.521 -19.514
   86    HB3  ASN  15           HB1      ASN  15  59.078  13.119 -18.688
   87   HD21  ASN  15          HD21      ASN  15  58.608  16.618 -19.215
   88   HD22  ASN  15          HD22      ASN  15  56.974  16.629 -18.756
   89    H    GLN  16           HN       GLN  16  59.728  12.268 -16.212
   90    HA   GLN  16           HA       GLN  16  57.864  13.427 -14.250
   91    HB2  GLN  16           HB2      GLN  16  58.411  10.491 -14.643
   92    HB3  GLN  16           HB1      GLN  16  56.980  11.262 -13.955
   93    HG2  GLN  16           HG2      GLN  16  56.853  12.399 -16.349
   94    HG3  GLN  16           HG1      GLN  16  57.787  10.980 -16.824
   95   HE21  GLN  16          HE21      GLN  16  56.581   9.128 -14.915
   96   HE22  GLN  16          HE22      GLN  16  54.978   8.875 -15.413
   97    H    SER  17           HN       SER  17  60.583  14.021 -13.901
   98    HA   SER  17           HA       SER  17  61.636  12.190 -11.895
   99    HB2  SER  17           HB2      SER  17  62.645  14.660 -13.261
  100    HB3  SER  17           HB1      SER  17  63.401  14.121 -11.764
  101    HG   SER  17           HG       SER  17  64.463  12.878 -13.107
  102    H    GLU  18           HN       GLU  18  60.158  12.321 -10.207
  103    HA   GLU  18           HA       GLU  18  58.913  13.310  -8.506
  104    HB2  GLU  18           HB2      GLU  18  60.460  14.290  -6.815
  105    HB3  GLU  18           HB1      GLU  18  61.002  12.738  -7.449
  106    HG2  GLU  18           HG2      GLU  18  62.608  13.795  -8.890
  107    HG3  GLU  18           HG1      GLU  18  61.945  15.394  -8.557
  108    H    CYS  19           HN       CYS  19  58.535  14.859 -10.773
  109    HA   CYS  19           HA       CYS  19  59.031  17.641 -10.109
  110    HB2  CYS  19           HB2      CYS  19  59.062  16.803 -12.463
  111    HB3  CYS  19           HB1      CYS  19  57.332  16.481 -12.330
  112    HG   CYS  19           HG       CYS  19  57.415  18.867 -13.253
  113    H    GLU  20           HN       GLU  20  56.133  15.613 -10.603
  114    HA   GLU  20           HA       GLU  20  54.758  16.652  -8.356
  115    HB2  GLU  20           HB2      GLU  20  52.955  17.842  -9.761
  116    HB3  GLU  20           HB1      GLU  20  54.463  18.709  -9.468
  117    HG2  GLU  20           HG2      GLU  20  55.236  18.372 -11.648
  118    HG3  GLU  20           HG1      GLU  20  54.192  16.976 -11.907
  119    H    TYR  21           HN       TYR  21  55.334  14.172  -9.885
  120    HA   TYR  21           HA       TYR  21  52.608  13.300 -10.587
  121    HB2  TYR  21           HB2      TYR  21  55.332  12.124 -11.161
  122    HB3  TYR  21           HB1      TYR  21  53.823  11.275 -11.499
  123    HD1  TYR  21           HD1      TYR  21  55.552  14.539 -12.121
  124    HD2  TYR  21           HD2      TYR  21  52.695  11.654 -13.522
  125    HE1  TYR  21           HE1      TYR  21  55.314  15.803 -14.241
  126    HE2  TYR  21           HE2      TYR  21  52.458  12.918 -15.641
  127    HH   TYR  21           HH       TYR  21  53.303  15.979 -16.059
  128    H    THR  22           HN       THR  22  53.484  13.722  -7.829
  129    HA   THR  22           HA       THR  22  52.484  11.322  -6.683
  130    HB   THR  22           HB       THR  22  54.771  10.532  -7.235
  131    HG1  THR  22           HG1      THR  22  55.019  10.720  -4.538
  132   HG21  THR  22          HG21      THR  22  55.605  13.032  -6.730
  133   HG22  THR  22          HG22      THR  22  56.679  11.639  -6.596
  134   HG23  THR  22          HG23      THR  22  55.928  12.317  -5.151
  135    H    ASP  23           HN       ASP  23  54.228  14.347  -6.315
  136    HA   ASP  23           HA       ASP  23  53.614  14.612  -3.503
  137    HB2  ASP  23           HB2      ASP  23  55.577  15.658  -4.947
  138    HB3  ASP  23           HB1      ASP  23  54.401  16.949  -5.187
  139    H    TRP  24           HN       TRP  24  51.408  14.262  -5.495
  140    HA   TRP  24           HA       TRP  24  49.805  16.568  -4.615
  141    HB2  TRP  24           HB2      TRP  24  48.761  16.727  -6.841
  142    HB3  TRP  24           HB1      TRP  24  50.494  17.050  -6.921
  143    HD1  TRP  24           HD1      TRP  24  51.979  14.632  -7.388
  144    HE1  TRP  24           HE1      TRP  24  51.490  12.887  -9.221
  145    HE3  TRP  24           HE3      TRP  24  47.084  15.717  -8.355
  146    HZ2  TRP  24           HZ2      TRP  24  49.312  12.061 -10.880
  147    HZ3  TRP  24           HZ3      TRP  24  45.828  14.437 -10.065
  148    HH2  TRP  24           HH2      TRP  24  46.935  12.612 -11.326
  149    H    LYS  25           HN       LYS  25  49.521  13.545  -6.501
  150    HA   LYS  25           HA       LYS  25  47.813  11.979  -6.531
  151    HB2  LYS  25           HB2      LYS  25  49.050  12.142  -3.896
  152    HB3  LYS  25           HB1      LYS  25  47.415  11.484  -3.829
  153    HG2  LYS  25           HG2      LYS  25  47.947   9.759  -5.408
  154    HG3  LYS  25           HG1      LYS  25  49.492  10.513  -5.803
  155    HD2  LYS  25           HD2      LYS  25  49.239  10.005  -2.943
  156    HD3  LYS  25           HD1      LYS  25  49.080   8.525  -3.890
  157    HE2  LYS  25           HE2      LYS  25  51.195   8.886  -4.968
  158    HE3  LYS  25           HE1      LYS  25  51.313  10.522  -4.319
  159    HZ1  LYS  25           HZ1      LYS  25  50.947   8.854  -2.149
  160    HZ2  LYS  25           HZ2      LYS  25  52.374   9.662  -2.595
  161    HZ3  LYS  25           HZ3      LYS  25  52.092   8.075  -3.129
  162    H    SER  26           HN       SER  26  46.017  13.069  -7.302
  163    HA   SER  26           HA       SER  26  43.916  13.526  -5.349
  164    HB2  SER  26           HB2      SER  26  45.309  15.734  -6.739
  165    HB3  SER  26           HB1      SER  26  43.549  15.803  -6.776
  166    HG   SER  26           HG       SER  26  43.665  16.443  -4.788
  167    H    SER  27           HN       SER  27  42.268  12.420  -6.168
  168    HA   SER  27           HA       SER  27  42.075  11.768  -8.956
  169    HB2  SER  27           HB2      SER  27  41.248  10.392  -6.933
  170    HB3  SER  27           HB1      SER  27  39.847  11.459  -6.954
  171    HG   SER  27           HG       SER  27  39.733   9.459  -8.248
  172    H    GLY  28           HN       GLY  28  42.200  14.378  -9.133
  173    HA2  GLY  28           HA2      GLY  28  40.968  15.889 -10.498
  174    HA3  GLY  28           HA1      GLY  28  39.475  15.164  -9.908
  175    H    ALA  29           HN       ALA  29  41.692  15.657  -7.414
  176    HA   ALA  29           HA       ALA  29  41.955  17.289  -5.796
  177    HB1  ALA  29           HB1      ALA  29  41.632  19.493  -6.331
  178    HB2  ALA  29           HB2      ALA  29  40.074  19.189  -7.099
  179    HB3  ALA  29           HB3      ALA  29  41.568  18.822  -7.961
  180    H    LEU  30           HN       LEU  30  39.558  15.393  -6.286
  181    HA   LEU  30           HA       LEU  30  37.438  16.682  -4.769
  182    HB2  LEU  30           HB2      LEU  30  37.785  14.063  -6.171
  183    HB3  LEU  30           HB1      LEU  30  36.547  14.200  -4.921
  184    HG   LEU  30           HG       LEU  30  35.553  16.117  -6.075
  185   HD11  LEU  30          HD11      LEU  30  36.457  16.627  -8.412
  186   HD12  LEU  30          HD12      LEU  30  37.894  15.717  -7.949
  187   HD13  LEU  30          HD13      LEU  30  37.452  17.178  -7.064
  188   HD21  LEU  30          HD21      LEU  30  36.084  13.670  -7.778
  189   HD22  LEU  30          HD22      LEU  30  34.939  14.927  -8.247
  190   HD23  LEU  30          HD23      LEU  30  34.673  13.998  -6.772
  191    H    ILE  31           HN       ILE  31  40.224  14.786  -4.151
  192    HA   ILE  31           HA       ILE  31  39.363  13.489  -1.775
  193    HB   ILE  31           HB       ILE  31  42.029  14.049  -3.018
  194   HG12  ILE  31          HG12      ILE  31  42.128  11.606  -3.005
  195   HG13  ILE  31          HG11      ILE  31  40.634  11.528  -2.073
  196   HG21  ILE  31          HG21      ILE  31  42.932  12.678  -1.013
  197   HG22  ILE  31          HG22      ILE  31  41.463  13.185  -0.179
  198   HG23  ILE  31          HG23      ILE  31  42.618  14.391  -0.743
  199   HD11  ILE  31          HD11      ILE  31  40.689  12.995  -4.698
  200   HD12  ILE  31          HD12      ILE  31  39.320  12.252  -3.871
  201   HD13  ILE  31          HD13      ILE  31  40.522  11.239  -4.672
  202    HA   PRO  32           HA       PRO  32  41.691  17.079   0.613
  203    HB2  PRO  32           HB2      PRO  32  41.515  19.473  -0.869
  204    HB3  PRO  32           HB1      PRO  32  42.984  18.532  -0.562
  205    HG2  PRO  32           HG2      PRO  32  41.230  18.576  -2.951
  206    HG3  PRO  32           HG1      PRO  32  42.985  18.355  -2.835
  207    HD2  PRO  32           HD2      PRO  32  41.368  16.277  -3.339
  208    HD3  PRO  32           HD1      PRO  32  42.804  16.094  -2.311
  209    H    ALA  33           HN       ALA  33  38.887  17.095  -1.350
  210    HA   ALA  33           HA       ALA  33  37.498  19.077   0.306
  211    HB1  ALA  33           HB1      ALA  33  36.459  17.510  -2.065
  212    HB2  ALA  33           HB2      ALA  33  37.231  19.091  -2.181
  213    HB3  ALA  33           HB3      ALA  33  35.707  18.917  -1.312
  214    H    ILE  34           HN       ILE  34  36.371  15.982  -1.036
  215    HA   ILE  34           HA       ILE  34  34.481  15.389   0.866
  216    HB   ILE  34           HB       ILE  34  36.296  13.445  -0.580
  217   HG12  ILE  34          HG12      ILE  34  33.486  14.352  -1.262
  218   HG13  ILE  34          HG11      ILE  34  34.931  15.080  -1.965
  219   HG21  ILE  34          HG21      ILE  34  35.288  11.926   0.766
  220   HG22  ILE  34          HG22      ILE  34  33.835  12.248  -0.179
  221   HG23  ILE  34          HG23      ILE  34  34.106  13.100   1.342
  222   HD11  ILE  34          HD11      ILE  34  35.627  12.795  -2.742
  223   HD12  ILE  34          HD12      ILE  34  34.133  13.366  -3.483
  224   HD13  ILE  34          HD13      ILE  34  34.073  12.182  -2.178
  225    H    TYR  35           HN       TYR  35  37.962  14.948   1.054
  226    HA   TYR  35           HA       TYR  35  37.932  13.373   3.445
  227    HB2  TYR  35           HB2      TYR  35  39.828  13.451   1.797
  228    HB3  TYR  35           HB1      TYR  35  40.190  15.077   2.375
  229    HD1  TYR  35           HD2      TYR  35  39.721  11.560   3.560
  230    HD2  TYR  35           HD1      TYR  35  41.518  15.391   4.291
  231    HE1  TYR  35           HE2      TYR  35  40.986  10.601   5.465
  232    HE2  TYR  35           HE1      TYR  35  42.785  14.433   6.196
  233    HH   TYR  35           HH       TYR  35  43.438  11.465   6.661
  234    H    MET  36           HN       MET  36  37.836  16.777   2.728
  235    HA   MET  36           HA       MET  36  38.598  17.645   5.369
  236    HB2  MET  36           HB2      MET  36  38.960  19.072   3.393
  237    HB3  MET  36           HB1      MET  36  37.217  19.155   3.137
  238    HG2  MET  36           HG2      MET  36  36.995  20.772   4.690
  239    HG3  MET  36           HG1      MET  36  37.885  19.823   5.879
  240    HE1  MET  36           HE1      MET  36  38.489  22.962   3.160
  241    HE2  MET  36           HE2      MET  36  38.137  21.333   2.591
  242    HE3  MET  36           HE3      MET  36  39.763  21.987   2.413
  243    H    LEU  37           HN       LEU  37  35.548  17.320   3.575
  244    HA   LEU  37           HA       LEU  37  33.922  18.262   5.742
  245    HB2  LEU  37           HB2      LEU  37  33.040  16.568   3.401
  246    HB3  LEU  37           HB1      LEU  37  32.054  17.663   4.370
  247    HG   LEU  37           HG       LEU  37  34.368  18.476   2.587
  248   HD11  LEU  37          HD11      LEU  37  31.787  19.657   2.010
  249   HD12  LEU  37          HD12      LEU  37  31.685  17.897   1.960
  250   HD13  LEU  37          HD13      LEU  37  32.852  18.741   0.942
  251   HD21  LEU  37          HD21      LEU  37  32.626  19.941   4.553
  252   HD22  LEU  37          HD22      LEU  37  33.243  20.789   3.136
  253   HD23  LEU  37          HD23      LEU  37  34.366  20.077   4.295
  254    H    VAL  38           HN       VAL  38  35.830  15.833   5.981
  255    HA   VAL  38           HA       VAL  38  33.897  14.153   7.441
  256    HB   VAL  38           HB       VAL  38  35.911  13.255   5.390
  257   HG11  VAL  38          HG11      VAL  38  35.266  10.912   6.320
  258   HG12  VAL  38          HG12      VAL  38  34.837  11.784   7.792
  259   HG13  VAL  38          HG13      VAL  38  36.491  11.842   7.182
  260   HG21  VAL  38          HG21      VAL  38  34.077  12.350   4.311
  261   HG22  VAL  38          HG22      VAL  38  33.282  13.694   5.130
  262   HG23  VAL  38          HG23      VAL  38  33.199  12.071   5.814
  263    H    PHE  39           HN       PHE  39  37.033  15.566   7.120
  264    HA   PHE  39           HA       PHE  39  38.375  14.090   9.150
  265    HB2  PHE  39           HB2      PHE  39  39.861  15.236   7.796
  266    HB3  PHE  39           HB1      PHE  39  38.849  16.678   7.725
  267    HD1  PHE  39           HD1      PHE  39  40.129  14.650  10.608
  268    HD2  PHE  39           HD2      PHE  39  40.038  18.472   8.648
  269    HE1  PHE  39           HE1      PHE  39  41.413  15.643  12.482
  270    HE2  PHE  39           HE2      PHE  39  41.322  19.465  10.522
  271    HZ   PHE  39           HZ       PHE  39  42.010  18.050  12.441
  272    H    LEU  40           HN       LEU  40  36.459  17.062   9.142
  273    HA   LEU  40           HA       LEU  40  36.811  17.336  12.044
  274    HB2  LEU  40           HB2      LEU  40  35.595  19.488  11.723
  275    HB3  LEU  40           HB1      LEU  40  37.069  19.379  10.759
  276    HG   LEU  40           HG       LEU  40  34.868  18.255   9.277
  277   HD11  LEU  40          HD11      LEU  40  34.492  21.103  10.257
  278   HD12  LEU  40          HD12      LEU  40  33.466  19.731  10.676
  279   HD13  LEU  40          HD13      LEU  40  33.526  20.312   9.011
  280   HD21  LEU  40          HD21      LEU  40  35.616  19.861   7.609
  281   HD22  LEU  40          HD22      LEU  40  37.035  19.190   8.414
  282   HD23  LEU  40          HD23      LEU  40  36.460  20.802   8.840
  283    H    LEU  41           HN       LEU  41  34.904  15.573  10.099
  284    HA   LEU  41           HA       LEU  41  32.680  15.629  12.030
  285    HB2  LEU  41           HB2      LEU  41  32.512  15.926   9.046
  286    HB3  LEU  41           HB1      LEU  41  31.194  15.164   9.938
  287    HG   LEU  41           HG       LEU  41  32.268  17.737  11.003
  288   HD11  LEU  41          HD11      LEU  41  30.697  17.421   8.448
  289   HD12  LEU  41          HD12      LEU  41  32.090  18.455   8.764
  290   HD13  LEU  41          HD13      LEU  41  30.517  18.862   9.449
  291   HD21  LEU  41          HD21      LEU  41  29.473  16.597  10.682
  292   HD22  LEU  41          HD22      LEU  41  29.907  18.032  11.610
  293   HD23  LEU  41          HD23      LEU  41  30.466  16.441  12.131
  294    H    GLY  42           HN       GLY  42  35.072  13.872  11.321
  295    HA2  GLY  42           HA2      GLY  42  33.551  11.348  11.238
  296    HA3  GLY  42           HA1      GLY  42  34.918  11.570  10.151
  297    H    THR  43           HN       THR  43  35.433  13.213  13.031
  298    HA   THR  43           HA       THR  43  36.429  11.029  14.619
  299    HB   THR  43           HB       THR  43  38.306  12.698  12.969
  300    HG1  THR  43           HG1      THR  43  37.565  10.125  13.198
  301   HG21  THR  43          HG21      THR  43  38.730  11.580  15.730
  302   HG22  THR  43          HG22      THR  43  39.213  13.149  15.085
  303   HG23  THR  43          HG23      THR  43  40.076  11.690  14.595
  304    H    THR  44           HN       THR  44  36.577  14.509  13.940
  305    HA   THR  44           HA       THR  44  37.194  15.257  16.632
  306    HB   THR  44           HB       THR  44  36.166  16.786  14.240
  307    HG1  THR  44           HG1      THR  44  38.601  16.338  15.529
  308   HG21  THR  44          HG21      THR  44  35.255  18.048  15.992
  309   HG22  THR  44          HG22      THR  44  36.839  18.790  15.771
  310   HG23  THR  44          HG23      THR  44  36.574  17.651  17.091
  311    H    GLY  45           HN       GLY  45  34.339  14.263  15.049
  312    HA2  GLY  45           HA2      GLY  45  32.272  15.658  16.177
  313    HA3  GLY  45           HA1      GLY  45  32.214  13.920  15.893
  314    H    ASN  46           HN       ASN  46  33.750  12.749  17.643
  315    HA   ASN  46           HA       ASN  46  33.616  11.952  19.813
  316    HB2  ASN  46           HB2      ASN  46  35.394  13.789  19.789
  317    HB3  ASN  46           HB1      ASN  46  34.181  14.823  20.544
  318   HD21  ASN  46          HD21      ASN  46  36.793  13.320  21.527
  319   HD22  ASN  46          HD22      ASN  46  36.284  12.642  22.998
  320    H    GLY  47           HN       GLY  47  31.413  11.449  19.989
  321    HA2  GLY  47           HA2      GLY  47  29.945  12.256  22.078
  322    HA3  GLY  47           HA1      GLY  47  29.537  13.487  20.886
  323    H    LEU  48           HN       LEU  48  30.051  11.219  18.822
  324    HA   LEU  48           HA       LEU  48  27.272  10.314  18.788
  325    HB2  LEU  48           HB2      LEU  48  29.392   9.783  16.705
  326    HB3  LEU  48           HB1      LEU  48  27.639   9.745  16.506
  327    HG   LEU  48           HG       LEU  48  29.299  12.204  17.135
  328   HD11  LEU  48          HD11      LEU  48  28.691  10.901  14.678
  329   HD12  LEU  48          HD12      LEU  48  29.470  12.466  14.907
  330   HD13  LEU  48          HD13      LEU  48  27.717  12.370  14.745
  331   HD21  LEU  48          HD21      LEU  48  26.957  13.243  16.525
  332   HD22  LEU  48          HD22      LEU  48  27.241  12.637  18.157
  333   HD23  LEU  48          HD23      LEU  48  26.346  11.657  16.995
  334    H    VAL  49           HN       VAL  49  29.895   9.247  20.306
  335    HA   VAL  49           HA       VAL  49  29.515   6.402  19.634
  336    HB   VAL  49           HB       VAL  49  31.714   7.894  21.064
  337   HG11  VAL  49          HG11      VAL  49  32.738   5.513  21.153
  338   HG12  VAL  49          HG12      VAL  49  31.077   4.947  20.972
  339   HG13  VAL  49          HG13      VAL  49  31.525   5.932  22.364
  340   HG21  VAL  49          HG21      VAL  49  31.480   7.619  18.468
  341   HG22  VAL  49          HG22      VAL  49  31.975   5.955  18.775
  342   HG23  VAL  49          HG23      VAL  49  33.039   7.287  19.224
  343    H    LEU  50           HN       LEU  50  28.556   8.727  21.862
  344    HA   LEU  50           HA       LEU  50  27.750   6.625  23.772
  345    HB2  LEU  50           HB2      LEU  50  28.178   9.219  25.035
  346    HB3  LEU  50           HB1      LEU  50  28.737   7.623  25.528
  347    HG   LEU  50           HG       LEU  50  30.500   7.806  23.695
  348   HD11  LEU  50          HD11      LEU  50  30.548   9.617  22.352
  349   HD12  LEU  50          HD12      LEU  50  30.524  10.703  23.741
  350   HD13  LEU  50          HD13      LEU  50  29.010  10.115  23.058
  351   HD21  LEU  50          HD21      LEU  50  30.345   9.346  26.233
  352   HD22  LEU  50          HD22      LEU  50  31.671   9.763  25.147
  353   HD23  LEU  50          HD23      LEU  50  31.500   8.109  25.736
  354    H    TRP  51           HN       TRP  51  26.566   8.437  21.521
  355    HA   TRP  51           HA       TRP  51  24.391   9.669  23.075
  356    HB2  TRP  51           HB2      TRP  51  25.017  11.282  21.563
  357    HB3  TRP  51           HB1      TRP  51  25.542  10.104  20.361
  358    HD1  TRP  51           HD1      TRP  51  22.148  10.910  22.058
  359    HE1  TRP  51           HE1      TRP  51  20.334  10.948  20.227
  360    HE3  TRP  51           HE3      TRP  51  25.010   9.868  17.960
  361    HZ2  TRP  51           HZ2      TRP  51  20.124  10.585  17.398
  362    HZ3  TRP  51           HZ3      TRP  51  23.978   9.721  15.711
  363    HH2  TRP  51           HH2      TRP  51  21.541  10.077  15.426
  364    H    THR  52           HN       THR  52  24.526   8.055  19.898
  365    HA   THR  52           HA       THR  52  21.868   7.035  20.151
  366    HB   THR  52           HB       THR  52  22.858   7.531  17.959
  367    HG1  THR  52           HG1      THR  52  22.300   4.793  18.434
  368   HG21  THR  52          HG21      THR  52  24.869   6.735  17.288
  369   HG22  THR  52          HG22      THR  52  24.519   5.110  17.877
  370   HG23  THR  52          HG23      THR  52  25.119   6.341  18.989
  371    H    VAL  53           HN       VAL  53  25.078   5.769  20.783
  372    HA   VAL  53           HA       VAL  53  24.404   3.030  20.985
  373    HB   VAL  53           HB       VAL  53  26.617   4.675  22.220
  374   HG11  VAL  53          HG11      VAL  53  25.882   1.784  22.539
  375   HG12  VAL  53          HG12      VAL  53  26.548   2.904  23.728
  376   HG13  VAL  53          HG13      VAL  53  27.587   2.229  22.474
  377   HG21  VAL  53          HG21      VAL  53  27.003   2.486  20.223
  378   HG22  VAL  53          HG22      VAL  53  27.885   4.002  20.410
  379   HG23  VAL  53          HG23      VAL  53  26.294   3.996  19.647
  380    H    PHE  54           HN       PHE  54  24.383   5.677  23.330
  381    HA   PHE  54           HA       PHE  54  23.698   3.994  25.559
  382    HB2  PHE  54           HB2      PHE  54  24.615   6.603  25.248
  383    HB3  PHE  54           HB1      PHE  54  22.970   6.796  25.855
  384    HD1  PHE  54           HD2      PHE  54  22.279   5.629  27.973
  385    HD2  PHE  54           HD1      PHE  54  26.360   5.744  26.637
  386    HE1  PHE  54           HE2      PHE  54  23.040   4.990  30.245
  387    HE2  PHE  54           HE1      PHE  54  27.121   5.104  28.909
  388    HZ   PHE  54           HZ       PHE  54  25.461   4.728  30.713
  389    H    ARG  55           HN       ARG  55  21.989   4.036  23.056
  390    HA   ARG  55           HA       ARG  55  19.418   4.365  24.457
  391    HB2  ARG  55           HB2      ARG  55  20.007   5.349  21.654
  392    HB3  ARG  55           HB1      ARG  55  18.426   5.367  22.439
  393    HG2  ARG  55           HG2      ARG  55  19.289   6.851  24.193
  394    HG3  ARG  55           HG1      ARG  55  20.893   6.808  23.458
  395    HD2  ARG  55           HD2      ARG  55  20.303   8.528  22.142
  396    HD3  ARG  55           HD1      ARG  55  19.084   7.499  21.394
  397    HE   ARG  55           HE       ARG  55  18.063   8.488  23.832
  398   HH11  ARG  55          HH21      ARG  55  19.013   9.529  20.671
  399   HH12  ARG  55          HH22      ARG  55  17.901  10.855  20.623
  400   HH21  ARG  55          HH11      ARG  55  16.602  10.226  23.775
  401   HH22  ARG  55          HH12      ARG  55  16.536  11.251  22.380
  402    H    LYS  56           HN       LYS  56  21.393   2.784  22.072
  403    HA   LYS  56           HA       LYS  56  19.217   0.936  21.371
  404    HB2  LYS  56           HB2      LYS  56  20.702   0.151  19.602
  405    HB3  LYS  56           HB1      LYS  56  20.571   1.909  19.535
  406    HG2  LYS  56           HG2      LYS  56  22.825   1.968  19.610
  407    HG3  LYS  56           HG1      LYS  56  22.693   1.452  21.291
  408    HD2  LYS  56           HD2      LYS  56  24.154  -0.117  20.219
  409    HD3  LYS  56           HD1      LYS  56  22.608  -0.940  20.426
  410    HE2  LYS  56           HE2      LYS  56  22.660  -1.361  18.209
  411    HE3  LYS  56           HE1      LYS  56  22.369   0.362  17.965
  412    HZ1  LYS  56           HZ1      LYS  56  24.850   0.631  18.183
  413    HZ2  LYS  56           HZ2      LYS  56  24.308  -0.140  16.770
  414    HZ3  LYS  56           HZ3      LYS  56  24.966  -1.055  18.041
  415    H    LYS  57           HN       LYS  57  21.833   1.213  23.494
  416    HA   LYS  57           HA       LYS  57  22.759  -1.455  23.590
  417    HB2  LYS  57           HB2      LYS  57  23.782   0.681  24.630
  418    HB3  LYS  57           HB1      LYS  57  22.684   0.376  25.975
  419    HG2  LYS  57           HG2      LYS  57  24.553  -0.815  26.672
  420    HG3  LYS  57           HG1      LYS  57  23.656  -2.071  25.821
  421    HD2  LYS  57           HD2      LYS  57  25.666  -2.364  24.759
  422    HD3  LYS  57           HD1      LYS  57  25.062  -1.051  23.748
  423    HE2  LYS  57           HE2      LYS  57  26.848  -0.741  26.180
  424    HE3  LYS  57           HE1      LYS  57  27.352  -0.567  24.499
  425    HZ1  LYS  57           HZ1      LYS  57  25.416   1.126  25.978
  426    HZ2  LYS  57           HZ2      LYS  57  25.660   1.221  24.299
  427    HZ3  LYS  57           HZ3      LYS  57  26.929   1.589  25.367
  428    H    GLY  58           HN       GLY  58  20.458  -2.331  23.335
  429    HA2  GLY  58           HA2      GLY  58  18.812  -2.370  25.710
  430    HA3  GLY  58           HA1      GLY  58  18.528  -3.271  24.223
  431    H    HIS  59           HN       HIS  59  21.610  -3.410  25.844
  432    HA   HIS  59           HA       HIS  59  21.133  -5.650  27.506
  433    HB2  HIS  59           HB2      HIS  59  22.577  -7.201  25.922
  434    HB3  HIS  59           HB1      HIS  59  20.825  -7.110  25.745
  435    HD2  HIS  59           HD2      HIS  59  22.987  -4.152  24.353
  436    HE1  HIS  59           HE1      HIS  59  21.490  -6.331  21.061
  437    HE2  HIS  59           HE2      HIS  59  22.730  -4.225  21.755
  438    H    HIS  60           HN       HIS  60  22.477  -4.513  28.900
  439    HA   HIS  60           HA       HIS  60  24.938  -3.358  28.348
  440    HB2  HIS  60           HB2      HIS  60  24.488  -4.847  30.918
  441    HB3  HIS  60           HB1      HIS  60  25.295  -3.301  30.656
  442    HD2  HIS  60           HD2      HIS  60  22.994  -1.580  29.176
  443    HE1  HIS  60           HE1      HIS  60  20.421  -2.806  32.291
  444    HE2  HIS  60           HE2      HIS  60  20.743  -1.123  30.417
  445    H    HIS  61           HN       HIS  61  26.714  -4.207  27.492
  446    HA   HIS  61           HA       HIS  61  28.479  -5.638  27.120
  447    HB2  HIS  61           HB2      HIS  61  28.059  -6.006  29.710
  448    HB3  HIS  61           HB1      HIS  61  27.492  -7.584  29.163
  449    HD2  HIS  61           HD2      HIS  61  30.793  -5.434  28.470
  450    HE1  HIS  61           HE1      HIS  61  31.789  -9.533  28.638
  451    HE2  HIS  61           HE2      HIS  61  32.721  -7.190  28.343
  452    H    HIS  62           HN       HIS  62  28.731  -8.305  26.952
  453    HA   HIS  62           HA       HIS  62  26.368  -9.508  25.771
  454    HB2  HIS  62           HB2      HIS  62  28.080  -8.019  24.114
  455    HB3  HIS  62           HB1      HIS  62  28.489  -9.709  23.819
  456    HD2  HIS  62           HD2      HIS  62  25.466 -11.017  24.045
  457    HE1  HIS  62           HE1      HIS  62  24.429  -8.217  21.061
  458    HE2  HIS  62           HE2      HIS  62  23.720 -10.363  22.217
  459    H    HIS  63           HN       HIS  63  27.125 -11.682  24.670
  460    HA   HIS  63           HA       HIS  63  29.493 -12.901  25.735
  461    HB2  HIS  63           HB2      HIS  63  28.160 -14.627  27.073
  462    HB3  HIS  63           HB1      HIS  63  28.345 -13.032  27.803
  463    HD2  HIS  63           HD2      HIS  63  25.832 -13.050  29.107
  464    HE1  HIS  63           HE1      HIS  63  23.493 -13.374  25.607
  465    HE2  HIS  63           HE2      HIS  63  23.418 -12.974  28.113
  466    H    HIS  64           HN       HIS  64  29.035 -12.852  23.203
  467    HA   HIS  64           HA       HIS  64  27.270 -14.662  22.016
  468    HB2  HIS  64           HB2      HIS  64  29.784 -13.312  21.228
  469    HB3  HIS  64           HB1      HIS  64  29.377 -14.768  20.319
  470    HD2  HIS  64           HD2      HIS  64  28.680 -11.157  19.917
  471    HE1  HIS  64           HE1      HIS  64  25.116 -12.995  18.597
  472    HE2  HIS  64           HE2      HIS  64  26.433 -10.824  18.630
  Start of MODEL   37
    1    H1   MET   1           HT1      MET   1  40.351  -6.168   8.590
    2    H2   MET   1           HT2      MET   1  40.203  -7.036   7.137
    3    H3   MET   1           HT3      MET   1  38.997  -7.156   8.330
    4    HA   MET   1           HA       MET   1  38.331  -5.727   6.462
    5    HB2  MET   1           HB2      MET   1  38.729  -4.297   9.108
    6    HB3  MET   1           HB1      MET   1  37.543  -3.877   7.873
    7    HG2  MET   1           HG2      MET   1  36.229  -5.192   9.255
    8    HG3  MET   1           HG1      MET   1  36.848  -6.426   8.159
    9    HE1  MET   1           HE1      MET   1  36.945  -8.557  11.213
   10    HE2  MET   1           HE2      MET   1  36.162  -8.091   9.705
   11    HE3  MET   1           HE3      MET   1  35.776  -7.230  11.192
   12    H    GLU   2           HN       GLU   2  38.545  -2.999   6.461
   13    HA   GLU   2           HA       GLU   2  39.794  -1.267   5.615
   14    HB2  GLU   2           HB2      GLU   2  41.093  -1.906   7.808
   15    HB3  GLU   2           HB1      GLU   2  42.301  -2.514   6.678
   16    HG2  GLU   2           HG2      GLU   2  43.008  -0.318   6.874
   17    HG3  GLU   2           HG1      GLU   2  41.902  -0.165   5.510
   18    H    GLU   3           HN       GLU   3  39.253  -3.412   3.903
   19    HA   GLU   3           HA       GLU   3  41.256  -4.656   2.535
   20    HB2  GLU   3           HB2      GLU   3  38.624  -3.537   1.769
   21    HB3  GLU   3           HB1      GLU   3  39.736  -3.867   0.441
   22    HG2  GLU   3           HG2      GLU   3  40.027  -6.169   1.217
   23    HG3  GLU   3           HG1      GLU   3  38.987  -5.854   2.605
   24    H    GLY   4           HN       GLY   4  42.309  -4.106   0.462
   25    HA2  GLY   4           HA2      GLY   4  42.736  -1.957  -0.946
   26    HA3  GLY   4           HA1      GLY   4  43.389  -1.370   0.581
   27    H    GLY   5           HN       GLY   5  44.750  -3.472   1.583
   28    HA2  GLY   5           HA2      GLY   5  46.281  -5.234   0.457
   29    HA3  GLY   5           HA1      GLY   5  46.905  -3.824  -0.395
   30    H    ASP   6           HN       ASP   6  47.949  -5.789   1.764
   31    HA   ASP   6           HA       ASP   6  48.439  -4.408   4.150
   32    HB2  ASP   6           HB2      ASP   6  48.981  -6.885   3.363
   33    HB3  ASP   6           HB1      ASP   6  50.561  -6.179   3.025
   34    H    PHE   7           HN       PHE   7  49.341  -3.517   1.090
   35    HA   PHE   7           HA       PHE   7  51.991  -2.625   1.374
   36    HB2  PHE   7           HB2      PHE   7  50.036  -2.531  -0.610
   37    HB3  PHE   7           HB1      PHE   7  50.363  -0.838  -0.242
   38    HD1  PHE   7           HD1      PHE   7  51.999  -4.074  -1.118
   39    HD2  PHE   7           HD2      PHE   7  52.375   0.202  -0.945
   40    HE1  PHE   7           HE1      PHE   7  54.131  -4.209  -2.377
   41    HE2  PHE   7           HE2      PHE   7  54.506   0.066  -2.204
   42    HZ   PHE   7           HZ       PHE   7  55.385  -2.140  -2.919
   43    H    ASP   8           HN       ASP   8  49.001  -0.678   1.589
   44    HA   ASP   8           HA       ASP   8  50.184   1.657   2.558
   45    HB2  ASP   8           HB2      ASP   8  47.411   0.615   3.180
   46    HB3  ASP   8           HB1      ASP   8  47.949   2.288   3.307
   47    H    ASN   9           HN       ASN   9  51.615   1.505   4.216
   48    HA   ASN   9           HA       ASN   9  50.519   0.789   6.837
   49    HB2  ASN   9           HB2      ASN   9  51.634  -1.256   5.966
   50    HB3  ASN   9           HB1      ASN   9  53.133  -0.340   5.811
   51   HD21  ASN   9          HD21      ASN   9  54.417  -0.116   7.682
   52   HD22  ASN   9          HD22      ASN   9  53.935  -0.626   9.227
   53    H    TYR  10           HN       TYR  10  53.198   2.124   4.950
   54    HA   TYR  10           HA       TYR  10  54.085   3.697   7.263
   55    HB2  TYR  10           HB2      TYR  10  55.424   4.013   4.639
   56    HB3  TYR  10           HB1      TYR  10  56.121   3.836   6.250
   57    HD1  TYR  10           HD1      TYR  10  54.669   2.028   3.369
   58    HD2  TYR  10           HD2      TYR  10  56.597   1.658   7.189
   59    HE1  TYR  10           HE1      TYR  10  55.063  -0.382   2.937
   60    HE2  TYR  10           HE2      TYR  10  56.991  -0.752   6.758
   61    HH   TYR  10           HH       TYR  10  56.603  -2.155   3.684
   62    H    TYR  11           HN       TYR  11  53.241   4.240   3.835
   63    HA   TYR  11           HA       TYR  11  52.409   6.088   2.751
   64    HB2  TYR  11           HB2      TYR  11  50.436   5.635   4.088
   65    HB3  TYR  11           HB1      TYR  11  51.132   6.488   5.466
   66    HD1  TYR  11           HD2      TYR  11  50.166   6.981   1.883
   67    HD2  TYR  11           HD1      TYR  11  50.777   8.795   5.730
   68    HE1  TYR  11           HE2      TYR  11  49.260   9.123   1.018
   69    HE2  TYR  11           HE1      TYR  11  49.870  10.934   4.865
   70    HH   TYR  11           HH       TYR  11  49.655  12.043   2.566
   71    H    GLY  12           HN       GLY  12  52.313   7.831   5.772
   72    HA2  GLY  12           HA2      GLY  12  53.935   9.947   4.723
   73    HA3  GLY  12           HA1      GLY  12  53.289   9.842   6.358
   74    H    ALA  13           HN       ALA  13  55.653   8.043   4.369
   75    HA   ALA  13           HA       ALA  13  57.350   7.694   6.727
   76    HB1  ALA  13           HB1      ALA  13  58.608   6.138   5.366
   77    HB2  ALA  13           HB2      ALA  13  57.750   6.653   3.915
   78    HB3  ALA  13           HB3      ALA  13  56.890   5.783   5.185
   79    H    ASP  14           HN       ASP  14  57.927   9.958   6.895
   80    HA   ASP  14           HA       ASP  14  59.200  11.828   6.446
   81    HB2  ASP  14           HB2      ASP  14  60.823   9.812   6.960
   82    HB3  ASP  14           HB1      ASP  14  61.273  10.021   5.268
   83    H    ASN  15           HN       ASN  15  57.563  10.542   4.167
   84    HA   ASN  15           HA       ASN  15  59.020  11.675   1.871
   85    HB2  ASN  15           HB2      ASN  15  56.837   9.655   2.181
   86    HB3  ASN  15           HB1      ASN  15  56.933  10.575   0.681
   87   HD21  ASN  15          HD21      ASN  15  58.564   9.992  -0.816
   88   HD22  ASN  15          HD22      ASN  15  59.730   8.796  -0.516
   89    H    GLN  16           HN       GLN  16  55.748  11.667   3.297
   90    HA   GLN  16           HA       GLN  16  55.218  14.239   1.956
   91    HB2  GLN  16           HB2      GLN  16  53.070  12.795   3.418
   92    HB3  GLN  16           HB1      GLN  16  53.000  13.678   1.893
   93    HG2  GLN  16           HG2      GLN  16  54.477  11.768   0.955
   94    HG3  GLN  16           HG1      GLN  16  53.989  10.874   2.394
   95   HE21  GLN  16          HE21      GLN  16  53.241  10.519  -0.567
   96   HE22  GLN  16          HE22      GLN  16  51.544  10.495  -0.559
   97    H    SER  17           HN       SER  17  56.941  14.242   4.179
   98    HA   SER  17           HA       SER  17  55.275  15.325   6.359
   99    HB2  SER  17           HB2      SER  17  57.927  13.999   6.234
  100    HB3  SER  17           HB1      SER  17  57.744  15.287   7.421
  101    HG   SER  17           HG       SER  17  57.036  12.895   7.807
  102    H    GLU  18           HN       GLU  18  54.881  17.308   5.187
  103    HA   GLU  18           HA       GLU  18  55.340  19.467   4.521
  104    HB2  GLU  18           HB2      GLU  18  55.715  19.381   7.083
  105    HB3  GLU  18           HB1      GLU  18  57.429  19.484   6.683
  106    HG2  GLU  18           HG2      GLU  18  56.452  21.453   5.092
  107    HG3  GLU  18           HG1      GLU  18  55.301  21.533   6.426
  108    H    CYS  19           HN       CYS  19  56.690  17.620   2.953
  109    HA   CYS  19           HA       CYS  19  59.087  19.170   2.250
  110    HB2  CYS  19           HB2      CYS  19  59.333  16.774   3.563
  111    HB3  CYS  19           HB1      CYS  19  59.406  16.274   1.873
  112    HG   CYS  19           HG       CYS  19  61.788  17.148   2.997
  113    H    GLU  20           HN       GLU  20  56.736  16.681   1.351
  114    HA   GLU  20           HA       GLU  20  56.633  17.776  -1.351
  115    HB2  GLU  20           HB2      GLU  20  57.346  14.884  -0.802
  116    HB3  GLU  20           HB1      GLU  20  56.918  15.534  -2.385
  117    HG2  GLU  20           HG2      GLU  20  58.808  17.224  -2.041
  118    HG3  GLU  20           HG1      GLU  20  59.318  16.224  -0.683
  119    H    TYR  21           HN       TYR  21  54.932  17.324   1.149
  120    HA   TYR  21           HA       TYR  21  52.862  15.509   0.233
  121    HB2  TYR  21           HB2      TYR  21  51.892  15.783   2.320
  122    HB3  TYR  21           HB1      TYR  21  53.588  16.089   2.693
  123    HD1  TYR  21           HD2      TYR  21  54.403  18.548   2.575
  124    HD2  TYR  21           HD1      TYR  21  50.265  17.415   2.784
  125    HE1  TYR  21           HE2      TYR  21  53.819  20.825   3.364
  126    HE2  TYR  21           HE1      TYR  21  49.681  19.692   3.573
  127    HH   TYR  21           HH       TYR  21  50.549  21.918   3.562
  128    H    THR  22           HN       THR  22  53.741  18.529  -0.677
  129    HA   THR  22           HA       THR  22  50.985  19.511  -1.034
  130    HB   THR  22           HB       THR  22  51.906  21.666  -1.376
  131    HG1  THR  22           HG1      THR  22  53.734  20.503  -2.638
  132   HG21  THR  22          HG21      THR  22  52.030  20.863   0.965
  133   HG22  THR  22          HG22      THR  22  53.320  22.008   0.596
  134   HG23  THR  22          HG23      THR  22  53.668  20.280   0.663
  135    H    ASP  23           HN       ASP  23  53.827  18.415  -2.754
  136    HA   ASP  23           HA       ASP  23  53.480  19.255  -5.317
  137    HB2  ASP  23           HB2      ASP  23  55.093  17.450  -4.253
  138    HB3  ASP  23           HB1      ASP  23  53.907  16.325  -4.913
  139    H    TRP  24           HN       TRP  24  51.325  17.290  -3.483
  140    HA   TRP  24           HA       TRP  24  49.416  17.304  -5.686
  141    HB2  TRP  24           HB2      TRP  24  48.994  14.938  -5.644
  142    HB3  TRP  24           HB1      TRP  24  50.727  15.161  -5.886
  143    HD1  TRP  24           HD1      TRP  24  52.010  15.417  -3.250
  144    HE1  TRP  24           HE1      TRP  24  51.799  13.684  -1.354
  145    HE3  TRP  24           HE3      TRP  24  47.722  13.045  -4.691
  146    HZ2  TRP  24           HZ2      TRP  24  50.049  11.568  -0.556
  147    HZ3  TRP  24           HZ3      TRP  24  46.807  11.176  -3.346
  148    HH2  TRP  24           HH2      TRP  24  47.965  10.436  -1.282
  149    H    LYS  25           HN       LYS  25  47.766  18.315  -4.734
  150    HA   LYS  25           HA       LYS  25  46.992  17.493  -2.000
  151    HB2  LYS  25           HB2      LYS  25  46.949  20.133  -3.408
  152    HB3  LYS  25           HB1      LYS  25  45.735  19.811  -2.173
  153    HG2  LYS  25           HG2      LYS  25  48.683  19.350  -1.679
  154    HG3  LYS  25           HG1      LYS  25  47.925  20.912  -1.389
  155    HD2  LYS  25           HD2      LYS  25  47.053  20.206   0.563
  156    HD3  LYS  25           HD1      LYS  25  46.343  18.785  -0.197
  157    HE2  LYS  25           HE2      LYS  25  47.928  18.064   1.506
  158    HE3  LYS  25           HE1      LYS  25  48.579  17.661  -0.083
  159    HZ1  LYS  25           HZ1      LYS  25  50.360  18.670   0.933
  160    HZ2  LYS  25           HZ2      LYS  25  49.399  19.786   1.779
  161    HZ3  LYS  25           HZ3      LYS  25  49.668  19.983   0.113
  162    H    SER  26           HN       SER  26  46.238  16.828  -5.038
  163    HA   SER  26           HA       SER  26  43.614  15.914  -4.450
  164    HB2  SER  26           HB2      SER  26  42.236  17.404  -5.582
  165    HB3  SER  26           HB1      SER  26  43.401  18.501  -4.845
  166    HG   SER  26           HG       SER  26  44.164  18.958  -6.756
  167    H    SER  27           HN       SER  27  43.323  14.169  -5.677
  168    HA   SER  27           HA       SER  27  44.942  13.891  -8.124
  169    HB2  SER  27           HB2      SER  27  45.214  11.728  -7.557
  170    HB3  SER  27           HB1      SER  27  44.561  12.173  -5.984
  171    HG   SER  27           HG       SER  27  43.510  10.405  -7.289
  172    H    GLY  28           HN       GLY  28  41.721  14.291  -7.003
  173    HA2  GLY  28           HA2      GLY  28  40.738  14.064  -9.762
  174    HA3  GLY  28           HA1      GLY  28  39.930  13.117  -8.517
  175    H    ALA  29           HN       ALA  29  41.206  16.083  -7.420
  176    HA   ALA  29           HA       ALA  29  40.229  18.036  -6.706
  177    HB1  ALA  29           HB1      ALA  29  38.865  19.173  -8.220
  178    HB2  ALA  29           HB2      ALA  29  38.086  17.694  -8.781
  179    HB3  ALA  29           HB3      ALA  29  39.741  18.057  -9.269
  180    H    LEU  30           HN       LEU  30  39.349  15.404  -5.675
  181    HA   LEU  30           HA       LEU  30  36.795  16.300  -4.506
  182    HB2  LEU  30           HB2      LEU  30  35.951  13.982  -4.597
  183    HB3  LEU  30           HB1      LEU  30  36.248  14.628  -6.211
  184    HG   LEU  30           HG       LEU  30  38.693  13.526  -5.548
  185   HD11  LEU  30          HD11      LEU  30  36.487  11.698  -4.548
  186   HD12  LEU  30          HD12      LEU  30  37.707  12.479  -3.541
  187   HD13  LEU  30          HD13      LEU  30  38.186  11.258  -4.720
  188   HD21  LEU  30          HD21      LEU  30  37.521  13.344  -7.709
  189   HD22  LEU  30          HD22      LEU  30  36.357  12.230  -6.991
  190   HD23  LEU  30          HD23      LEU  30  38.048  11.755  -7.156
  191    H    ILE  31           HN       ILE  31  39.714  14.352  -4.266
  192    HA   ILE  31           HA       ILE  31  39.427  13.171  -1.804
  193    HB   ILE  31           HB       ILE  31  41.810  14.261  -3.251
  194   HG12  ILE  31          HG12      ILE  31  41.480  11.483  -2.200
  195   HG13  ILE  31          HG11      ILE  31  40.464  11.982  -3.554
  196   HG21  ILE  31          HG21      ILE  31  43.135  13.079  -1.362
  197   HG22  ILE  31          HG22      ILE  31  41.673  13.285  -0.398
  198   HG23  ILE  31          HG23      ILE  31  42.518  14.696  -1.030
  199   HD11  ILE  31          HD11      ILE  31  42.457  12.639  -4.830
  200   HD12  ILE  31          HD12      ILE  31  42.578  10.951  -4.335
  201   HD13  ILE  31          HD13      ILE  31  43.489  12.191  -3.473
  202    HA   PRO  32           HA       PRO  32  41.213  17.146   0.452
  203    HB2  PRO  32           HB2      PRO  32  40.371  19.450  -0.956
  204    HB3  PRO  32           HB1      PRO  32  42.033  18.862  -0.787
  205    HG2  PRO  32           HG2      PRO  32  40.127  18.529  -3.028
  206    HG3  PRO  32           HG1      PRO  32  41.894  18.672  -3.052
  207    HD2  PRO  32           HD2      PRO  32  40.695  16.308  -3.465
  208    HD3  PRO  32           HD1      PRO  32  42.222  16.420  -2.565
  209    H    ALA  33           HN       ALA  33  38.300  16.406  -1.087
  210    HA   ALA  33           HA       ALA  33  36.677  18.143   0.634
  211    HB1  ALA  33           HB1      ALA  33  36.251  17.641  -1.900
  212    HB2  ALA  33           HB2      ALA  33  34.886  17.705  -0.785
  213    HB3  ALA  33           HB3      ALA  33  35.538  16.147  -1.294
  214    H    ILE  34           HN       ILE  34  36.393  14.720  -0.341
  215    HA   ILE  34           HA       ILE  34  34.896  13.882   1.853
  216    HB   ILE  34           HB       ILE  34  36.891  12.309   0.207
  217   HG12  ILE  34          HG12      ILE  34  34.167  11.694  -0.355
  218   HG13  ILE  34          HG11      ILE  34  34.320  13.451  -0.378
  219   HG21  ILE  34          HG21      ILE  34  35.372  10.385   0.959
  220   HG22  ILE  34          HG22      ILE  34  34.760  11.490   2.189
  221   HG23  ILE  34          HG23      ILE  34  36.465  11.039   2.179
  222   HD11  ILE  34          HD11      ILE  34  36.191  13.298  -1.948
  223   HD12  ILE  34          HD12      ILE  34  34.795  12.443  -2.602
  224   HD13  ILE  34          HD13      ILE  34  36.126  11.537  -1.884
  225    H    TYR  35           HN       TYR  35  38.222  14.716   1.661
  226    HA   TYR  35           HA       TYR  35  38.943  13.257   4.087
  227    HB2  TYR  35           HB2      TYR  35  40.417  13.825   1.931
  228    HB3  TYR  35           HB1      TYR  35  40.772  15.270   2.878
  229    HD1  TYR  35           HD2      TYR  35  41.032  11.592   2.753
  230    HD2  TYR  35           HD1      TYR  35  41.975  15.137   4.989
  231    HE1  TYR  35           HE2      TYR  35  42.607  10.289   4.157
  232    HE2  TYR  35           HE1      TYR  35  43.551  13.833   6.393
  233    HH   TYR  35           HH       TYR  35  44.788  10.974   5.592
  234    H    MET  36           HN       MET  36  38.393  16.572   2.991
  235    HA   MET  36           HA       MET  36  39.205  17.889   5.355
  236    HB2  MET  36           HB2      MET  36  38.937  19.223   3.409
  237    HB3  MET  36           HB1      MET  36  37.291  18.642   3.147
  238    HG2  MET  36           HG2      MET  36  36.426  19.902   4.929
  239    HG3  MET  36           HG1      MET  36  38.005  20.082   5.693
  240    HE1  MET  36           HE1      MET  36  40.066  21.169   4.084
  241    HE2  MET  36           HE2      MET  36  39.428  21.947   5.532
  242    HE3  MET  36           HE3      MET  36  39.735  22.907   4.087
  243    H    LEU  37           HN       LEU  37  36.078  16.586   4.313
  244    HA   LEU  37           HA       LEU  37  34.657  17.506   6.627
  245    HB2  LEU  37           HB2      LEU  37  33.897  15.268   4.738
  246    HB3  LEU  37           HB1      LEU  37  32.819  16.183   5.792
  247    HG   LEU  37           HG       LEU  37  34.431  17.337   3.496
  248   HD11  LEU  37          HD11      LEU  37  31.525  17.571   3.396
  249   HD12  LEU  37          HD12      LEU  37  32.047  15.887   3.430
  250   HD13  LEU  37          HD13      LEU  37  32.640  16.969   2.170
  251   HD21  LEU  37          HD21      LEU  37  34.205  19.122   4.983
  252   HD22  LEU  37          HD22      LEU  37  32.683  18.518   5.635
  253   HD23  LEU  37          HD23      LEU  37  32.722  19.273   4.041
  254    H    VAL  38           HN       VAL  38  37.051  16.149   7.346
  255    HA   VAL  38           HA       VAL  38  35.891  13.972   8.955
  256    HB   VAL  38           HB       VAL  38  38.573  13.772   7.568
  257   HG11  VAL  38          HG11      VAL  38  38.905  11.985   8.896
  258   HG12  VAL  38          HG12      VAL  38  37.346  11.304   8.432
  259   HG13  VAL  38          HG13      VAL  38  37.450  12.427   9.788
  260   HG21  VAL  38          HG21      VAL  38  35.905  12.487   6.902
  261   HG22  VAL  38          HG22      VAL  38  37.443  12.070   6.147
  262   HG23  VAL  38          HG23      VAL  38  36.757  13.678   5.919
  263    H    PHE  39           HN       PHE  39  38.421  16.367   8.463
  264    HA   PHE  39           HA       PHE  39  39.621  15.963  11.056
  265    HB2  PHE  39           HB2      PHE  39  40.258  17.387   8.667
  266    HB3  PHE  39           HB1      PHE  39  40.261  18.533  10.007
  267    HD1  PHE  39           HD1      PHE  39  41.551  15.182   8.972
  268    HD2  PHE  39           HD2      PHE  39  42.050  18.585  11.544
  269    HE1  PHE  39           HE1      PHE  39  43.729  14.280   9.741
  270    HE2  PHE  39           HE2      PHE  39  44.228  17.683  12.313
  271    HZ   PHE  39           HZ       PHE  39  45.067  15.531  11.412
  272    H    LEU  40           HN       LEU  40  36.738  17.269  10.116
  273    HA   LEU  40           HA       LEU  40  36.425  18.657  12.650
  274    HB2  LEU  40           HB2      LEU  40  35.536  20.718  11.534
  275    HB3  LEU  40           HB1      LEU  40  37.270  20.482  11.311
  276    HG   LEU  40           HG       LEU  40  35.905  19.090   9.217
  277   HD11  LEU  40          HD11      LEU  40  34.007  20.578   9.605
  278   HD12  LEU  40          HD12      LEU  40  34.826  21.054   8.117
  279   HD13  LEU  40          HD13      LEU  40  35.074  21.983   9.596
  280   HD21  LEU  40          HD21      LEU  40  38.190  19.961   9.087
  281   HD22  LEU  40          HD22      LEU  40  37.597  21.611   9.275
  282   HD23  LEU  40          HD23      LEU  40  37.209  20.696   7.819
  283    H    LEU  41           HN       LEU  41  35.329  16.287  11.333
  284    HA   LEU  41           HA       LEU  41  32.551  16.778  11.875
  285    HB2  LEU  41           HB2      LEU  41  32.767  17.619   9.527
  286    HB3  LEU  41           HB1      LEU  41  33.308  16.014   9.044
  287    HG   LEU  41           HG       LEU  41  31.168  15.061   9.902
  288   HD11  LEU  41          HD11      LEU  41  30.767  17.922  10.667
  289   HD12  LEU  41          HD12      LEU  41  30.257  16.455  11.499
  290   HD13  LEU  41          HD13      LEU  41  29.361  17.028  10.093
  291   HD21  LEU  41          HD21      LEU  41  31.322  15.580   7.541
  292   HD22  LEU  41          HD22      LEU  41  30.979  17.283   7.848
  293   HD23  LEU  41          HD23      LEU  41  29.723  16.070   8.104
  294    H    GLY  42           HN       GLY  42  35.042  14.650  10.570
  295    HA2  GLY  42           HA2      GLY  42  33.490  12.265  11.246
  296    HA3  GLY  42           HA1      GLY  42  35.044  12.299  10.417
  297    H    THR  43           HN       THR  43  36.210  14.139  12.410
  298    HA   THR  43           HA       THR  43  36.791  12.123  14.471
  299    HB   THR  43           HB       THR  43  38.664  13.131  13.129
  300    HG1  THR  43           HG1      THR  43  39.282  14.049  15.596
  301   HG21  THR  43          HG21      THR  43  39.271  15.410  13.426
  302   HG22  THR  43          HG22      THR  43  38.150  15.612  14.773
  303   HG23  THR  43          HG23      THR  43  37.532  15.433  13.130
  304    H    THR  44           HN       THR  44  35.919  15.542  14.091
  305    HA   THR  44           HA       THR  44  35.660  15.957  16.940
  306    HB   THR  44           HB       THR  44  36.251  17.700  15.096
  307    HG1  THR  44           HG1      THR  44  34.249  18.377  16.977
  308   HG21  THR  44          HG21      THR  44  34.469  18.760  13.989
  309   HG22  THR  44          HG22      THR  44  33.263  18.073  15.078
  310   HG23  THR  44          HG23      THR  44  34.051  17.050  13.876
  311    H    GLY  45           HN       GLY  45  33.586  15.077  14.275
  312    HA2  GLY  45           HA2      GLY  45  31.119  15.583  15.698
  313    HA3  GLY  45           HA1      GLY  45  31.285  14.779  14.140
  314    H    ASN  46           HN       ASN  46  32.948  12.689  14.701
  315    HA   ASN  46           HA       ASN  46  32.045  11.248  17.040
  316    HB2  ASN  46           HB2      ASN  46  30.646  10.966  14.525
  317    HB3  ASN  46           HB1      ASN  46  31.399   9.442  14.993
  318   HD21  ASN  46          HD21      ASN  46  29.488  12.099  16.530
  319   HD22  ASN  46          HD22      ASN  46  28.582  11.060  17.519
  320    H    GLY  47           HN       GLY  47  34.192  10.932  17.547
  321    HA2  GLY  47           HA2      GLY  47  35.504   8.680  16.566
  322    HA3  GLY  47           HA1      GLY  47  36.179  10.065  15.714
  323    H    LEU  48           HN       LEU  48  34.972  10.239  19.001
  324    HA   LEU  48           HA       LEU  48  37.722  10.793  19.927
  325    HB2  LEU  48           HB2      LEU  48  35.024  11.811  20.731
  326    HB3  LEU  48           HB1      LEU  48  36.319  11.775  21.928
  327    HG   LEU  48           HG       LEU  48  36.948  12.897  19.231
  328   HD11  LEU  48          HD11      LEU  48  35.083  14.102  21.246
  329   HD12  LEU  48          HD12      LEU  48  35.027  14.182  19.485
  330   HD13  LEU  48          HD13      LEU  48  36.192  15.162  20.376
  331   HD21  LEU  48          HD21      LEU  48  38.648  12.639  21.042
  332   HD22  LEU  48          HD22      LEU  48  37.688  13.712  22.061
  333   HD23  LEU  48          HD23      LEU  48  38.415  14.324  20.575
  334    H    VAL  49           HN       VAL  49  35.428   8.400  19.920
  335    HA   VAL  49           HA       VAL  49  36.063   7.425  22.619
  336    HB   VAL  49           HB       VAL  49  34.071   6.470  20.549
  337   HG11  VAL  49          HG11      VAL  49  33.300   5.195  22.744
  338   HG12  VAL  49          HG12      VAL  49  35.006   5.344  23.163
  339   HG13  VAL  49          HG13      VAL  49  34.530   4.501  21.688
  340   HG21  VAL  49          HG21      VAL  49  32.465   7.222  22.370
  341   HG22  VAL  49          HG22      VAL  49  33.346   8.525  21.573
  342   HG23  VAL  49          HG23      VAL  49  33.846   7.971  23.172
  343    H    LEU  50           HN       LEU  50  37.350   7.246  19.592
  344    HA   LEU  50           HA       LEU  50  38.624   4.656  20.193
  345    HB2  LEU  50           HB2      LEU  50  38.599   4.367  17.595
  346    HB3  LEU  50           HB1      LEU  50  37.161   3.943  18.526
  347    HG   LEU  50           HG       LEU  50  37.370   6.773  17.642
  348   HD11  LEU  50          HD11      LEU  50  38.058   5.871  15.573
  349   HD12  LEU  50          HD12      LEU  50  36.305   5.982  15.411
  350   HD13  LEU  50          HD13      LEU  50  37.061   4.429  15.771
  351   HD21  LEU  50          HD21      LEU  50  35.461   5.515  18.915
  352   HD22  LEU  50          HD22      LEU  50  35.045   4.886  17.321
  353   HD23  LEU  50          HD23      LEU  50  35.026   6.625  17.616
  354    H    TRP  51           HN       TRP  51  39.028   7.859  19.774
  355    HA   TRP  51           HA       TRP  51  41.578   7.633  18.315
  356    HB2  TRP  51           HB2      TRP  51  40.293   9.382  17.393
  357    HB3  TRP  51           HB1      TRP  51  39.773   9.951  18.979
  358    HD1  TRP  51           HD1      TRP  51  43.407   9.091  18.121
  359    HE1  TRP  51           HE1      TRP  51  44.829  11.231  18.334
  360    HE3  TRP  51           HE3      TRP  51  39.720  12.526  18.955
  361    HZ2  TRP  51           HZ2      TRP  51  44.455  14.028  18.798
  362    HZ3  TRP  51           HZ3      TRP  51  40.281  14.918  19.280
  363    HH2  TRP  51           HH2      TRP  51  42.642  15.671  19.202
  364    H    THR  52           HN       THR  52  40.240   9.181  21.242
  365    HA   THR  52           HA       THR  52  42.884   9.576  22.354
  366    HB   THR  52           HB       THR  52  41.864  10.960  23.839
  367    HG1  THR  52           HG1      THR  52  39.525   9.404  23.955
  368   HG21  THR  52          HG21      THR  52  39.986  12.047  22.908
  369   HG22  THR  52          HG22      THR  52  39.365  10.556  22.202
  370   HG23  THR  52          HG23      THR  52  40.795  11.328  21.517
  371    H    VAL  53           HN       VAL  53  40.091   7.480  22.962
  372    HA   VAL  53           HA       VAL  53  41.073   6.183  25.254
  373    HB   VAL  53           HB       VAL  53  39.100   5.421  23.118
  374   HG11  VAL  53          HG11      VAL  53  39.929   3.279  23.634
  375   HG12  VAL  53          HG12      VAL  53  38.596   3.471  24.772
  376   HG13  VAL  53          HG13      VAL  53  40.258   3.710  25.311
  377   HG21  VAL  53          HG21      VAL  53  38.471   7.071  24.857
  378   HG22  VAL  53          HG22      VAL  53  38.893   5.902  26.109
  379   HG23  VAL  53          HG23      VAL  53  37.541   5.581  25.021
  380    H    PHE  54           HN       PHE  54  41.812   5.798  21.873
  381    HA   PHE  54           HA       PHE  54  42.880   3.210  21.858
  382    HB2  PHE  54           HB2      PHE  54  42.473   4.779  19.877
  383    HB3  PHE  54           HB1      PHE  54  44.029   5.506  20.276
  384    HD1  PHE  54           HD1      PHE  54  46.097   4.049  20.333
  385    HD2  PHE  54           HD2      PHE  54  42.342   2.682  18.757
  386    HE1  PHE  54           HE1      PHE  54  47.263   2.205  19.155
  387    HE2  PHE  54           HE2      PHE  54  43.508   0.836  17.579
  388    HZ   PHE  54           HZ       PHE  54  45.969   0.598  17.778
  389    H    ARG  55           HN       ARG  55  44.804   6.217  21.928
  390    HA   ARG  55           HA       ARG  55  47.204   5.007  22.716
  391    HB2  ARG  55           HB2      ARG  55  46.298   7.833  23.319
  392    HB3  ARG  55           HB1      ARG  55  47.963   7.251  23.273
  393    HG2  ARG  55           HG2      ARG  55  48.041   7.615  21.057
  394    HG3  ARG  55           HG1      ARG  55  46.692   6.503  20.822
  395    HD2  ARG  55           HD2      ARG  55  46.082   8.680  19.925
  396    HD3  ARG  55           HD1      ARG  55  45.116   8.359  21.361
  397    HE   ARG  55           HE       ARG  55  47.533   9.815  21.945
  398   HH11  ARG  55          HH21      ARG  55  44.262  10.011  20.832
  399   HH12  ARG  55          HH22      ARG  55  44.048  11.657  21.323
  400   HH21  ARG  55          HH11      ARG  55  47.258  11.975  22.593
  401   HH22  ARG  55          HH12      ARG  55  45.744  12.770  22.321
  402    H    LYS  56           HN       LYS  56  44.426   6.015  24.569
  403    HA   LYS  56           HA       LYS  56  45.692   6.021  27.128
  404    HB2  LYS  56           HB2      LYS  56  43.328   6.943  26.257
  405    HB3  LYS  56           HB1      LYS  56  42.795   5.392  26.910
  406    HG2  LYS  56           HG2      LYS  56  42.649   6.769  28.789
  407    HG3  LYS  56           HG1      LYS  56  44.258   6.072  28.980
  408    HD2  LYS  56           HD2      LYS  56  44.837   8.280  29.225
  409    HD3  LYS  56           HD1      LYS  56  44.898   8.204  27.463
  410    HE2  LYS  56           HE2      LYS  56  43.540  10.079  27.837
  411    HE3  LYS  56           HE1      LYS  56  42.357   8.795  27.597
  412    HZ1  LYS  56           HZ1      LYS  56  42.457   8.508  30.096
  413    HZ2  LYS  56           HZ2      LYS  56  41.677   9.903  29.519
  414    HZ3  LYS  56           HZ3      LYS  56  43.255  10.004  30.140
  415    H    LYS  57           HN       LYS  57  44.421   3.556  25.050
  416    HA   LYS  57           HA       LYS  57  43.658   1.506  26.659
  417    HB2  LYS  57           HB2      LYS  57  44.356  -0.007  24.974
  418    HB3  LYS  57           HB1      LYS  57  43.954   1.487  24.134
  419    HG2  LYS  57           HG2      LYS  57  46.008   1.239  23.178
  420    HG3  LYS  57           HG1      LYS  57  46.598   1.920  24.689
  421    HD2  LYS  57           HD2      LYS  57  47.881  -0.012  24.551
  422    HD3  LYS  57           HD1      LYS  57  46.520  -0.601  25.501
  423    HE2  LYS  57           HE2      LYS  57  47.186  -1.108  22.624
  424    HE3  LYS  57           HE1      LYS  57  46.642  -2.239  23.861
  425    HZ1  LYS  57           HZ1      LYS  57  44.450  -1.333  23.750
  426    HZ2  LYS  57           HZ2      LYS  57  44.940  -1.723  22.172
  427    HZ3  LYS  57           HZ3      LYS  57  44.945  -0.106  22.689
  428    H    GLY  58           HN       GLY  58  46.780   2.961  26.545
  429    HA2  GLY  58           HA2      GLY  58  48.313   2.726  28.372
  430    HA3  GLY  58           HA1      GLY  58  47.709   1.091  28.624
  431    H    HIS  59           HN       HIS  59  48.928   2.838  25.761
  432    HA   HIS  59           HA       HIS  59  50.076   0.798  24.379
  433    HB2  HIS  59           HB2      HIS  59  51.968   2.689  23.971
  434    HB3  HIS  59           HB1      HIS  59  50.379   2.725  23.208
  435    HD2  HIS  59           HD2      HIS  59  50.841   3.724  26.999
  436    HE1  HIS  59           HE1      HIS  59  49.713   7.168  24.834
  437    HE2  HIS  59           HE2      HIS  59  50.146   6.235  27.156
  438    H    HIS  60           HN       HIS  60  51.061   1.984  27.447
  439    HA   HIS  60           HA       HIS  60  53.769   1.005  27.343
  440    HB2  HIS  60           HB2      HIS  60  52.934   2.865  28.851
  441    HB3  HIS  60           HB1      HIS  60  52.145   1.617  29.816
  442    HD2  HIS  60           HD2      HIS  60  54.273   2.631  31.735
  443    HE1  HIS  60           HE1      HIS  60  57.167   0.096  29.995
  444    HE2  HIS  60           HE2      HIS  60  56.632   1.544  32.011
  445    H    HIS  61           HN       HIS  61  52.194  -1.029  26.446
  446    HA   HIS  61           HA       HIS  61  51.069  -2.876  28.086
  447    HB2  HIS  61           HB2      HIS  61  53.094  -3.499  25.923
  448    HB3  HIS  61           HB1      HIS  61  51.890  -4.615  26.568
  449    HD2  HIS  61           HD2      HIS  61  49.422  -2.230  26.528
  450    HE1  HIS  61           HE1      HIS  61  50.063  -2.459  22.362
  451    HE2  HIS  61           HE2      HIS  61  48.451  -1.688  24.166
  452    H    HIS  62           HN       HIS  62  51.833  -4.732  29.241
  453    HA   HIS  62           HA       HIS  62  54.339  -4.192  30.660
  454    HB2  HIS  62           HB2      HIS  62  52.329  -4.633  32.000
  455    HB3  HIS  62           HB1      HIS  62  52.145  -6.203  31.217
  456    HD2  HIS  62           HD2      HIS  62  53.677  -8.235  32.352
  457    HE1  HIS  62           HE1      HIS  62  56.029  -5.806  34.881
  458    HE2  HIS  62           HE2      HIS  62  55.473  -8.202  34.247
  459    H    HIS  63           HN       HIS  63  56.155  -5.205  30.124
  460    HA   HIS  63           HA       HIS  63  56.270  -7.993  29.528
  461    HB2  HIS  63           HB2      HIS  63  55.440  -6.756  27.351
  462    HB3  HIS  63           HB1      HIS  63  57.146  -6.341  27.193
  463    HD2  HIS  63           HD2      HIS  63  58.886  -8.755  27.216
  464    HE1  HIS  63           HE1      HIS  63  55.774 -11.254  25.841
  465    HE2  HIS  63           HE2      HIS  63  58.282 -11.084  26.203
  466    H    HIS  64           HN       HIS  64  57.540  -6.508  31.436
  467    HA   HIS  64           HA       HIS  64  60.094  -5.527  30.688
  468    HB2  HIS  64           HB2      HIS  64  59.812  -4.799  32.799
  469    HB3  HIS  64           HB1      HIS  64  58.636  -6.061  33.161
  470    HD2  HIS  64           HD2      HIS  64  59.738  -8.431  34.300
  471    HE1  HIS  64           HE1      HIS  64  63.666  -6.931  34.684
  472    HE2  HIS  64           HE2      HIS  64  62.112  -8.841  35.307
  Start of MODEL   38
    1    H1   MET   1           HT1      MET   1  21.886  26.357 -46.952
    2    H2   MET   1           HT2      MET   1  21.337  27.078 -48.389
    3    H3   MET   1           HT3      MET   1  20.993  27.798 -46.890
    4    HA   MET   1           HA       MET   1  23.802  27.369 -47.581
    5    HB2  MET   1           HB2      MET   1  23.497  29.824 -48.599
    6    HB3  MET   1           HB1      MET   1  23.350  28.383 -49.605
    7    HG2  MET   1           HG2      MET   1  21.016  28.491 -49.653
    8    HG3  MET   1           HG1      MET   1  20.933  29.454 -48.178
    9    HE1  MET   1           HE1      MET   1  20.914  29.399 -51.952
   10    HE2  MET   1           HE2      MET   1  22.648  29.438 -51.646
   11    HE3  MET   1           HE3      MET   1  21.871  30.802 -52.447
   12    H    GLU   2           HN       GLU   2  24.189  27.504 -45.369
   13    HA   GLU   2           HA       GLU   2  23.831  30.190 -44.221
   14    HB2  GLU   2           HB2      GLU   2  22.076  28.423 -43.434
   15    HB3  GLU   2           HB1      GLU   2  23.417  27.775 -42.489
   16    HG2  GLU   2           HG2      GLU   2  22.430  29.319 -41.016
   17    HG3  GLU   2           HG1      GLU   2  23.766  30.232 -41.716
   18    H    GLU   3           HN       GLU   3  26.152  29.158 -45.390
   19    HA   GLU   3           HA       GLU   3  27.943  27.864 -43.681
   20    HB2  GLU   3           HB2      GLU   3  28.204  29.691 -46.021
   21    HB3  GLU   3           HB1      GLU   3  29.641  29.407 -45.037
   22    HG2  GLU   3           HG2      GLU   3  29.406  26.994 -45.326
   23    HG3  GLU   3           HG1      GLU   3  27.905  27.222 -46.222
   24    H    GLY   4           HN       GLY   4  28.688  28.433 -41.750
   25    HA2  GLY   4           HA2      GLY   4  29.909  30.867 -41.126
   26    HA3  GLY   4           HA1      GLY   4  28.242  30.965 -40.566
   27    H    GLY   5           HN       GLY   5  30.518  28.228 -40.643
   28    HA2  GLY   5           HA2      GLY   5  29.758  27.189 -38.146
   29    HA3  GLY   5           HA1      GLY   5  31.261  26.817 -38.985
   30    H    ASP   6           HN       ASP   6  30.464  27.508 -36.090
   31    HA   ASP   6           HA       ASP   6  31.442  29.916 -35.210
   32    HB2  ASP   6           HB2      ASP   6  31.413  27.165 -34.056
   33    HB3  ASP   6           HB1      ASP   6  32.375  28.396 -33.238
   34    H    PHE   7           HN       PHE   7  33.212  27.272 -36.597
   35    HA   PHE   7           HA       PHE   7  35.575  28.866 -36.880
   36    HB2  PHE   7           HB2      PHE   7  37.084  27.535 -35.519
   37    HB3  PHE   7           HB1      PHE   7  35.790  28.164 -34.498
   38    HD1  PHE   7           HD1      PHE   7  33.825  26.669 -33.933
   39    HD2  PHE   7           HD2      PHE   7  37.400  25.194 -35.805
   40    HE1  PHE   7           HE1      PHE   7  33.213  24.355 -33.282
   41    HE2  PHE   7           HE2      PHE   7  36.787  22.881 -35.152
   42    HZ   PHE   7           HZ       PHE   7  34.693  22.461 -33.892
   43    H    ASP   8           HN       ASP   8  34.510  25.465 -36.662
   44    HA   ASP   8           HA       ASP   8  34.999  23.658 -38.022
   45    HB2  ASP   8           HB2      ASP   8  33.204  24.921 -39.237
   46    HB3  ASP   8           HB1      ASP   8  34.468  25.705 -40.183
   47    H    ASN   9           HN       ASN   9  37.170  23.243 -37.691
   48    HA   ASN   9           HA       ASN   9  38.913  23.885 -39.927
   49    HB2  ASN   9           HB2      ASN   9  39.158  25.782 -38.268
   50    HB3  ASN   9           HB1      ASN   9  39.807  24.602 -37.131
   51   HD21  ASN   9          HD21      ASN   9  42.036  24.306 -37.237
   52   HD22  ASN   9          HD22      ASN   9  43.004  24.701 -38.575
   53    H    TYR  10           HN       TYR  10  38.515  22.366 -36.755
   54    HA   TYR  10           HA       TYR  10  40.582  20.390 -37.380
   55    HB2  TYR  10           HB2      TYR  10  38.935  20.949 -34.910
   56    HB3  TYR  10           HB1      TYR  10  40.013  19.560 -35.050
   57    HD1  TYR  10           HD1      TYR  10  42.471  20.025 -35.717
   58    HD2  TYR  10           HD2      TYR  10  39.784  23.047 -34.269
   59    HE1  TYR  10           HE1      TYR  10  44.405  21.464 -35.132
   60    HE2  TYR  10           HE2      TYR  10  41.718  24.485 -33.683
   61    HH   TYR  10           HH       TYR  10  44.569  23.610 -33.171
   62    H    TYR  11           HN       TYR  11  37.167  20.372 -36.332
   63    HA   TYR  11           HA       TYR  11  35.482  18.848 -36.666
   64    HB2  TYR  11           HB2      TYR  11  35.437  19.350 -38.939
   65    HB3  TYR  11           HB1      TYR  11  37.056  18.711 -39.218
   66    HD1  TYR  11           HD2      TYR  11  33.582  17.690 -38.295
   67    HD2  TYR  11           HD1      TYR  11  37.369  16.482 -39.924
   68    HE1  TYR  11           HE2      TYR  11  32.611  15.497 -38.928
   69    HE2  TYR  11           HE1      TYR  11  36.398  14.289 -40.556
   70    HH   TYR  11           HH       TYR  11  33.668  13.568 -41.065
   71    H    GLY  12           HN       GLY  12  34.961  16.531 -36.787
   72    HA2  GLY  12           HA2      GLY  12  35.291  14.458 -35.801
   73    HA3  GLY  12           HA1      GLY  12  36.597  14.375 -36.980
   74    H    ALA  13           HN       ALA  13  36.541  16.713 -34.374
   75    HA   ALA  13           HA       ALA  13  39.118  15.855 -33.438
   76    HB1  ALA  13           HB1      ALA  13  37.477  17.676 -31.766
   77    HB2  ALA  13           HB2      ALA  13  37.855  18.234 -33.396
   78    HB3  ALA  13           HB3      ALA  13  39.158  17.822 -32.280
   79    H    ASP  14           HN       ASP  14  38.868  16.222 -30.675
   80    HA   ASP  14           HA       ASP  14  38.307  13.641 -29.772
   81    HB2  ASP  14           HB2      ASP  14  38.645  16.295 -28.427
   82    HB3  ASP  14           HB1      ASP  14  38.086  14.917 -27.482
   83    H    ASN  15           HN       ASN  15  36.133  15.927 -30.834
   84    HA   ASN  15           HA       ASN  15  33.983  15.939 -29.132
   85    HB2  ASN  15           HB2      ASN  15  34.388  16.268 -31.991
   86    HB3  ASN  15           HB1      ASN  15  32.825  15.534 -31.637
   87   HD21  ASN  15          HD21      ASN  15  31.462  16.731 -29.949
   88   HD22  ASN  15          HD22      ASN  15  31.603  18.421 -29.873
   89    H    GLN  16           HN       GLN  16  35.043  13.330 -31.257
   90    HA   GLN  16           HA       GLN  16  32.825  11.642 -30.308
   91    HB2  GLN  16           HB2      GLN  16  34.794  10.703 -32.346
   92    HB3  GLN  16           HB1      GLN  16  33.064  10.381 -32.222
   93    HG2  GLN  16           HG2      GLN  16  32.859  12.976 -32.656
   94    HG3  GLN  16           HG1      GLN  16  34.467  12.780 -33.349
   95   HE21  GLN  16          HE21      GLN  16  34.574  11.973 -35.468
   96   HE22  GLN  16          HE22      GLN  16  33.256  11.303 -36.301
   97    H    SER  17           HN       SER  17  34.803  12.258 -28.426
   98    HA   SER  17           HA       SER  17  35.786   9.573 -27.844
   99    HB2  SER  17           HB2      SER  17  37.571  10.913 -29.157
  100    HB3  SER  17           HB1      SER  17  37.740  11.856 -27.679
  101    HG   SER  17           HG       SER  17  39.134   9.948 -27.907
  102    H    GLU  18           HN       GLU  18  37.283  10.000 -25.662
  103    HA   GLU  18           HA       GLU  18  35.435  10.532 -23.631
  104    HB2  GLU  18           HB2      GLU  18  38.455  10.479 -23.627
  105    HB3  GLU  18           HB1      GLU  18  37.501  10.687 -22.159
  106    HG2  GLU  18           HG2      GLU  18  38.047   8.319 -22.461
  107    HG3  GLU  18           HG1      GLU  18  36.312   8.564 -22.655
  108    H    CYS  19           HN       CYS  19  34.406  12.492 -23.768
  109    HA   CYS  19           HA       CYS  19  36.067  14.927 -23.751
  110    HB2  CYS  19           HB2      CYS  19  34.475  15.223 -25.414
  111    HB3  CYS  19           HB1      CYS  19  33.234  14.338 -24.528
  112    HG   CYS  19           HG       CYS  19  34.179  17.153 -23.545
  113    H    GLU  20           HN       GLU  20  36.704  14.954 -21.595
  114    HA   GLU  20           HA       GLU  20  36.533  15.337 -19.333
  115    HB2  GLU  20           HB2      GLU  20  33.884  16.647 -19.894
  116    HB3  GLU  20           HB1      GLU  20  35.112  17.098 -18.712
  117    HG2  GLU  20           HG2      GLU  20  36.655  17.637 -20.624
  118    HG3  GLU  20           HG1      GLU  20  35.305  17.359 -21.724
  119    H    TYR  21           HN       TYR  21  35.204  12.924 -20.544
  120    HA   TYR  21           HA       TYR  21  33.029  12.450 -18.626
  121    HB2  TYR  21           HB2      TYR  21  33.950  11.088 -21.140
  122    HB3  TYR  21           HB1      TYR  21  32.933  10.228 -19.984
  123    HD1  TYR  21           HD2      TYR  21  30.710  11.243 -19.303
  124    HD2  TYR  21           HD1      TYR  21  33.039  12.740 -22.587
  125    HE1  TYR  21           HE2      TYR  21  28.711  12.415 -20.186
  126    HE2  TYR  21           HE1      TYR  21  31.040  13.911 -23.471
  127    HH   TYR  21           HH       TYR  21  27.950  13.235 -22.533
  128    H    THR  22           HN       THR  22  36.338  12.047 -18.848
  129    HA   THR  22           HA       THR  22  36.506  10.525 -16.458
  130    HB   THR  22           HB       THR  22  35.874   8.663 -17.925
  131    HG1  THR  22           HG1      THR  22  38.002   7.519 -17.688
  132   HG21  THR  22          HG21      THR  22  36.698   8.392 -20.013
  133   HG22  THR  22          HG22      THR  22  38.355   8.678 -19.484
  134   HG23  THR  22          HG23      THR  22  37.298  10.041 -19.852
  135    H    ASP  23           HN       ASP  23  38.017  11.702 -19.399
  136    HA   ASP  23           HA       ASP  23  40.708  11.548 -18.398
  137    HB2  ASP  23           HB2      ASP  23  39.739  11.737 -20.877
  138    HB3  ASP  23           HB1      ASP  23  39.984  13.455 -20.568
  139    H    TRP  24           HN       TRP  24  38.894  12.870 -16.600
  140    HA   TRP  24           HA       TRP  24  40.377  15.360 -16.259
  141    HB2  TRP  24           HB2      TRP  24  38.387  16.733 -16.024
  142    HB3  TRP  24           HB1      TRP  24  38.375  15.969 -17.614
  143    HD1  TRP  24           HD1      TRP  24  37.054  13.403 -17.499
  144    HE1  TRP  24           HE1      TRP  24  34.726  12.959 -16.481
  145    HE3  TRP  24           HE3      TRP  24  36.638  17.471 -14.440
  146    HZ2  TRP  24           HZ2      TRP  24  32.926  14.170 -14.618
  147    HZ3  TRP  24           HZ3      TRP  24  34.609  17.801 -13.057
  148    HH2  TRP  24           HH2      TRP  24  32.755  16.157 -13.142
  149    H    LYS  25           HN       LYS  25  37.608  13.485 -15.005
  150    HA   LYS  25           HA       LYS  25  36.942  13.085 -12.827
  151    HB2  LYS  25           HB2      LYS  25  39.906  12.493 -12.774
  152    HB3  LYS  25           HB1      LYS  25  38.811  12.084 -11.452
  153    HG2  LYS  25           HG2      LYS  25  38.021  11.248 -14.208
  154    HG3  LYS  25           HG1      LYS  25  39.322  10.353 -13.422
  155    HD2  LYS  25           HD2      LYS  25  37.945   9.614 -11.683
  156    HD3  LYS  25           HD1      LYS  25  36.783  10.921 -11.917
  157    HE2  LYS  25           HE2      LYS  25  35.949   9.926 -13.941
  158    HE3  LYS  25           HE1      LYS  25  37.251   8.737 -13.961
  159    HZ1  LYS  25           HZ1      LYS  25  35.794   7.443 -12.904
  160    HZ2  LYS  25           HZ2      LYS  25  34.789   8.741 -12.469
  161    HZ3  LYS  25           HZ3      LYS  25  36.153   8.367 -11.529
  162    H    SER  26           HN       SER  26  40.015  13.898 -11.500
  163    HA   SER  26           HA       SER  26  39.449  16.644 -10.897
  164    HB2  SER  26           HB2      SER  26  39.085  16.407  -8.504
  165    HB3  SER  26           HB1      SER  26  37.847  15.507  -9.377
  166    HG   SER  26           HG       SER  26  39.655  13.763  -9.122
  167    H    SER  27           HN       SER  27  40.975  14.065  -8.970
  168    HA   SER  27           HA       SER  27  43.213  13.608  -8.579
  169    HB2  SER  27           HB2      SER  27  44.174  15.906 -10.193
  170    HB3  SER  27           HB1      SER  27  44.806  14.267 -10.077
  171    HG   SER  27           HG       SER  27  42.712  13.708 -11.166
  172    H    GLY  28           HN       GLY  28  41.438  15.834  -7.378
  173    HA2  GLY  28           HA2      GLY  28  42.442  16.590  -5.136
  174    HA3  GLY  28           HA1      GLY  28  43.572  17.469  -6.156
  175    H    ALA  29           HN       ALA  29  40.672  17.397  -7.757
  176    HA   ALA  29           HA       ALA  29  40.197  20.182  -7.329
  177    HB1  ALA  29           HB1      ALA  29  39.644  18.516  -9.371
  178    HB2  ALA  29           HB2      ALA  29  38.791  20.039  -9.121
  179    HB3  ALA  29           HB3      ALA  29  38.073  18.525  -8.570
  180    H    LEU  30           HN       LEU  30  38.508  17.217  -6.353
  181    HA   LEU  30           HA       LEU  30  37.102  18.810  -4.307
  182    HB2  LEU  30           HB2      LEU  30  35.032  17.824  -4.731
  183    HB3  LEU  30           HB1      LEU  30  35.670  18.089  -6.349
  184    HG   LEU  30           HG       LEU  30  35.674  15.472  -4.806
  185   HD11  LEU  30          HD11      LEU  30  33.525  16.081  -5.820
  186   HD12  LEU  30          HD12      LEU  30  34.258  14.732  -6.689
  187   HD13  LEU  30          HD13      LEU  30  34.322  16.358  -7.368
  188   HD21  LEU  30          HD21      LEU  30  37.693  15.380  -6.014
  189   HD22  LEU  30          HD22      LEU  30  37.049  16.349  -7.340
  190   HD23  LEU  30          HD23      LEU  30  36.538  14.675  -7.143
  191    H    ILE  31           HN       ILE  31  39.366  16.591  -4.783
  192    HA   ILE  31           HA       ILE  31  38.595  14.498  -3.008
  193    HB   ILE  31           HB       ILE  31  41.466  15.227  -3.497
  194   HG12  ILE  31          HG12      ILE  31  39.505  14.009  -5.466
  195   HG13  ILE  31          HG11      ILE  31  40.477  15.464  -5.698
  196   HG21  ILE  31          HG21      ILE  31  40.170  12.517  -3.633
  197   HG22  ILE  31          HG22      ILE  31  40.516  13.255  -2.068
  198   HG23  ILE  31          HG23      ILE  31  41.829  12.935  -3.200
  199   HD11  ILE  31          HD11      ILE  31  42.524  13.955  -5.361
  200   HD12  ILE  31          HD12      ILE  31  41.635  13.758  -6.870
  201   HD13  ILE  31          HD13      ILE  31  41.417  12.597  -5.563
  202    HA   PRO  32           HA       PRO  32  41.176  17.160   0.147
  203    HB2  PRO  32           HB2      PRO  32  40.378  19.897  -0.590
  204    HB3  PRO  32           HB1      PRO  32  41.991  19.255  -0.236
  205    HG2  PRO  32           HG2      PRO  32  41.218  19.978  -2.710
  206    HG3  PRO  32           HG1      PRO  32  42.387  18.683  -2.403
  207    HD2  PRO  32           HD2      PRO  32  39.500  18.473  -3.169
  208    HD3  PRO  32           HD1      PRO  32  40.870  17.447  -3.637
  209    H    ALA  33           HN       ALA  33  38.037  17.566  -1.128
  210    HA   ALA  33           HA       ALA  33  36.873  18.779   1.236
  211    HB1  ALA  33           HB1      ALA  33  35.626  17.594  -1.255
  212    HB2  ALA  33           HB2      ALA  33  35.900  19.304  -0.927
  213    HB3  ALA  33           HB3      ALA  33  34.725  18.401   0.029
  214    H    ILE  34           HN       ILE  34  36.391  15.672  -0.461
  215    HA   ILE  34           HA       ILE  34  34.902  14.427   1.561
  216    HB   ILE  34           HB       ILE  34  36.801  12.951  -0.257
  217   HG12  ILE  34          HG12      ILE  34  35.724  14.538  -1.708
  218   HG13  ILE  34          HG11      ILE  34  34.862  13.012  -1.904
  219   HG21  ILE  34          HG21      ILE  34  34.015  12.073   0.168
  220   HG22  ILE  34          HG22      ILE  34  35.013  12.074   1.623
  221   HG23  ILE  34          HG23      ILE  34  35.511  11.138   0.214
  222   HD11  ILE  34          HD11      ILE  34  33.999  15.461  -0.364
  223   HD12  ILE  34          HD12      ILE  34  33.275  13.881  -0.063
  224   HD13  ILE  34          HD13      ILE  34  33.143  14.622  -1.657
  225    H    TYR  35           HN       TYR  35  38.286  13.630   0.758
  226    HA   TYR  35           HA       TYR  35  38.984  12.151   2.924
  227    HB2  TYR  35           HB2      TYR  35  40.950  12.302   1.867
  228    HB3  TYR  35           HB1      TYR  35  40.390  13.715   0.971
  229    HD1  TYR  35           HD2      TYR  35  40.530  16.004   2.087
  230    HD2  TYR  35           HD1      TYR  35  42.509  12.521   3.640
  231    HE1  TYR  35           HE2      TYR  35  42.023  17.453   3.437
  232    HE2  TYR  35           HE1      TYR  35  44.001  13.970   4.990
  233    HH   TYR  35           HH       TYR  35  44.167  17.379   4.521
  234    H    MET  36           HN       MET  36  38.469  15.616   2.845
  235    HA   MET  36           HA       MET  36  39.542  16.057   5.495
  236    HB2  MET  36           HB2      MET  36  39.698  17.876   3.933
  237    HB3  MET  36           HB1      MET  36  37.966  17.811   3.602
  238    HG2  MET  36           HG2      MET  36  37.402  18.793   5.621
  239    HG3  MET  36           HG1      MET  36  38.850  18.198   6.434
  240    HE1  MET  36           HE1      MET  36  37.342  20.479   3.835
  241    HE2  MET  36           HE2      MET  36  38.167  22.014   4.101
  242    HE3  MET  36           HE3      MET  36  37.178  21.320   5.383
  243    H    LEU  37           HN       LEU  37  36.323  15.861   4.009
  244    HA   LEU  37           HA       LEU  37  34.796  16.480   6.277
  245    HB2  LEU  37           HB2      LEU  37  34.264  14.852   3.805
  246    HB3  LEU  37           HB1      LEU  37  33.058  14.963   5.088
  247    HG   LEU  37           HG       LEU  37  34.322  17.496   4.125
  248   HD11  LEU  37          HD11      LEU  37  32.513  17.627   2.367
  249   HD12  LEU  37          HD12      LEU  37  32.210  15.911   2.638
  250   HD13  LEU  37          HD13      LEU  37  33.773  16.443   2.020
  251   HD21  LEU  37          HD21      LEU  37  31.408  17.019   4.660
  252   HD22  LEU  37          HD22      LEU  37  32.376  18.462   4.962
  253   HD23  LEU  37          HD23      LEU  37  32.527  17.060   6.023
  254    H    VAL  38           HN       VAL  38  36.916  13.949   5.860
  255    HA   VAL  38           HA       VAL  38  35.421  12.129   7.631
  256    HB   VAL  38           HB       VAL  38  37.931  11.677   6.001
  257   HG11  VAL  38          HG11      VAL  38  38.202  10.117   7.675
  258   HG12  VAL  38          HG12      VAL  38  37.090   9.216   6.646
  259   HG13  VAL  38          HG13      VAL  38  36.482  10.076   8.060
  260   HG21  VAL  38          HG21      VAL  38  36.037  11.818   4.536
  261   HG22  VAL  38          HG22      VAL  38  35.027  10.894   5.649
  262   HG23  VAL  38          HG23      VAL  38  36.341  10.098   4.780
  263    H    PHE  39           HN       PHE  39  37.439  14.661   7.943
  264    HA   PHE  39           HA       PHE  39  39.048  13.478  10.109
  265    HB2  PHE  39           HB2      PHE  39  40.526  14.682   8.795
  266    HB3  PHE  39           HB1      PHE  39  39.327  15.907   8.382
  267    HD1  PHE  39           HD1      PHE  39  40.452  14.513  11.677
  268    HD2  PHE  39           HD2      PHE  39  40.081  17.980   9.167
  269    HE1  PHE  39           HE1      PHE  39  41.274  15.943  13.529
  270    HE2  PHE  39           HE2      PHE  39  40.903  19.408  11.019
  271    HZ   PHE  39           HZ       PHE  39  41.500  18.391  13.200
  272    H    LEU  40           HN       LEU  40  37.647  16.717   9.634
  273    HA   LEU  40           HA       LEU  40  37.269  17.263  12.351
  274    HB2  LEU  40           HB2      LEU  40  35.802  19.072  11.615
  275    HB3  LEU  40           HB1      LEU  40  37.217  18.979  10.567
  276    HG   LEU  40           HG       LEU  40  35.423  17.246   9.355
  277   HD11  LEU  40          HD11      LEU  40  33.942  19.730  10.274
  278   HD12  LEU  40          HD12      LEU  40  33.642  18.097  10.870
  279   HD13  LEU  40          HD13      LEU  40  33.321  18.493   9.181
  280   HD21  LEU  40          HD21      LEU  40  35.984  20.186   8.849
  281   HD22  LEU  40          HD22      LEU  40  35.196  19.116   7.690
  282   HD23  LEU  40          HD23      LEU  40  36.864  18.813   8.176
  283    H    LEU  41           HN       LEU  41  35.445  15.294  10.191
  284    HA   LEU  41           HA       LEU  41  33.193  15.164  12.097
  285    HB2  LEU  41           HB2      LEU  41  33.325  15.238   9.247
  286    HB3  LEU  41           HB1      LEU  41  32.663  13.676   9.726
  287    HG   LEU  41           HG       LEU  41  31.677  16.353  10.755
  288   HD11  LEU  41          HD11      LEU  41  31.009  16.271   8.487
  289   HD12  LEU  41          HD12      LEU  41  29.621  15.629   9.364
  290   HD13  LEU  41          HD13      LEU  41  30.730  14.531   8.544
  291   HD21  LEU  41          HD21      LEU  41  30.638  15.108  12.320
  292   HD22  LEU  41          HD22      LEU  41  31.310  13.631  11.632
  293   HD23  LEU  41          HD23      LEU  41  29.776  14.262  11.035
  294    H    GLY  42           HN       GLY  42  35.820  13.388  10.708
  295    HA2  GLY  42           HA2      GLY  42  35.168  10.754  10.895
  296    HA3  GLY  42           HA1      GLY  42  36.744  11.371  11.383
  297    H    THR  43           HN       THR  43  36.290  12.755  13.630
  298    HA   THR  43           HA       THR  43  34.622  11.228  15.460
  299    HB   THR  43           HB       THR  43  36.942  10.076  15.180
  300    HG1  THR  43           HG1      THR  43  36.820   9.498  17.320
  301   HG21  THR  43          HG21      THR  43  38.775  11.038  16.290
  302   HG22  THR  43          HG22      THR  43  37.758  12.172  17.180
  303   HG23  THR  43          HG23      THR  43  38.048  12.413  15.458
  304    H    THR  44           HN       THR  44  36.470  13.964  14.569
  305    HA   THR  44           HA       THR  44  36.293  15.289  17.144
  306    HB   THR  44           HB       THR  44  37.251  16.147  14.414
  307    HG1  THR  44           HG1      THR  44  38.660  14.874  15.596
  308   HG21  THR  44          HG21      THR  44  36.352  18.156  15.260
  309   HG22  THR  44          HG22      THR  44  38.043  18.213  15.761
  310   HG23  THR  44          HG23      THR  44  36.793  17.757  16.920
  311    H    GLY  45           HN       GLY  45  34.220  14.758  14.535
  312    HA2  GLY  45           HA2      GLY  45  32.828  17.095  14.127
  313    HA3  GLY  45           HA1      GLY  45  32.076  15.503  14.132
  314    H    ASN  46           HN       ASN  46  33.246  15.483  17.081
  315    HA   ASN  46           HA       ASN  46  32.149  15.583  19.126
  316    HB2  ASN  46           HB2      ASN  46  33.227  17.894  18.684
  317    HB3  ASN  46           HB1      ASN  46  31.580  18.441  18.376
  318   HD21  ASN  46          HD21      ASN  46  30.625  16.332  20.438
  319   HD22  ASN  46          HD22      ASN  46  30.933  17.074  21.934
  320    H    GLY  47           HN       GLY  47  30.512  14.631  17.042
  321    HA2  GLY  47           HA2      GLY  47  28.305  14.181  16.591
  322    HA3  GLY  47           HA1      GLY  47  27.971  14.778  18.215
  323    H    LEU  48           HN       LEU  48  27.348  15.288  14.999
  324    HA   LEU  48           HA       LEU  48  27.409  18.037  14.624
  325    HB2  LEU  48           HB2      LEU  48  25.875  15.776  13.516
  326    HB3  LEU  48           HB1      LEU  48  25.085  17.348  13.369
  327    HG   LEU  48           HG       LEU  48  27.102  18.279  12.317
  328   HD11  LEU  48          HD11      LEU  48  28.976  17.184  13.100
  329   HD12  LEU  48          HD12      LEU  48  28.759  16.304  11.588
  330   HD13  LEU  48          HD13      LEU  48  28.184  15.609  13.102
  331   HD21  LEU  48          HD21      LEU  48  27.050  16.901  10.223
  332   HD22  LEU  48          HD22      LEU  48  25.442  17.287  10.835
  333   HD23  LEU  48          HD23      LEU  48  26.122  15.680  11.095
  334    H    VAL  49           HN       VAL  49  25.766  16.298  16.970
  335    HA   VAL  49           HA       VAL  49  23.342  17.619  17.318
  336    HB   VAL  49           HB       VAL  49  23.403  16.838  19.583
  337   HG11  VAL  49          HG11      VAL  49  23.707  15.190  17.476
  338   HG12  VAL  49          HG12      VAL  49  23.600  14.591  19.132
  339   HG13  VAL  49          HG13      VAL  49  25.177  14.777  18.362
  340   HG21  VAL  49          HG21      VAL  49  26.404  16.810  19.162
  341   HG22  VAL  49          HG22      VAL  49  25.634  15.933  20.483
  342   HG23  VAL  49          HG23      VAL  49  25.488  17.688  20.387
  343    H    LEU  50           HN       LEU  50  26.414  18.933  17.336
  344    HA   LEU  50           HA       LEU  50  25.638  21.170  19.101
  345    HB2  LEU  50           HB2      LEU  50  28.361  20.363  18.050
  346    HB3  LEU  50           HB1      LEU  50  28.046  21.728  19.119
  347    HG   LEU  50           HG       LEU  50  27.432  18.827  19.764
  348   HD11  LEU  50          HD11      LEU  50  29.837  19.225  19.731
  349   HD12  LEU  50          HD12      LEU  50  29.294  19.091  21.403
  350   HD13  LEU  50          HD13      LEU  50  29.638  20.677  20.712
  351   HD21  LEU  50          HD21      LEU  50  27.362  20.049  22.134
  352   HD22  LEU  50          HD22      LEU  50  25.934  19.983  21.103
  353   HD23  LEU  50          HD23      LEU  50  26.928  21.439  21.142
  354    H    TRP  51           HN       TRP  51  24.881  20.610  16.205
  355    HA   TRP  51           HA       TRP  51  25.771  23.216  15.123
  356    HB2  TRP  51           HB2      TRP  51  26.858  21.869  13.622
  357    HB3  TRP  51           HB1      TRP  51  25.749  20.520  13.867
  358    HD1  TRP  51           HD1      TRP  51  25.754  24.031  12.247
  359    HE1  TRP  51           HE1      TRP  51  24.159  23.982  10.222
  360    HE3  TRP  51           HE3      TRP  51  23.947  19.273  12.661
  361    HZ2  TRP  51           HZ2      TRP  51  22.356  22.165   8.947
  362    HZ3  TRP  51           HZ3      TRP  51  22.295  18.409  11.030
  363    HH2  TRP  51           HH2      TRP  51  21.497  19.848   9.175
  364    H    THR  52           HN       THR  52  23.299  20.663  14.818
  365    HA   THR  52           HA       THR  52  21.367  22.472  13.680
  366    HB   THR  52           HB       THR  52  21.319  20.096  13.103
  367    HG1  THR  52           HG1      THR  52  19.029  19.969  14.428
  368   HG21  THR  52          HG21      THR  52  22.184  19.332  15.347
  369   HG22  THR  52          HG22      THR  52  20.824  18.392  14.733
  370   HG23  THR  52          HG23      THR  52  20.565  19.599  15.992
  371    H    VAL  53           HN       VAL  53  22.109  21.204  16.870
  372    HA   VAL  53           HA       VAL  53  19.743  21.904  18.208
  373    HB   VAL  53           HB       VAL  53  22.603  21.711  19.164
  374   HG11  VAL  53          HG11      VAL  53  20.114  22.578  20.547
  375   HG12  VAL  53          HG12      VAL  53  21.793  22.995  20.888
  376   HG13  VAL  53          HG13      VAL  53  21.146  21.442  21.415
  377   HG21  VAL  53          HG21      VAL  53  20.174  19.916  19.476
  378   HG22  VAL  53          HG22      VAL  53  21.774  19.598  20.143
  379   HG23  VAL  53          HG23      VAL  53  21.536  19.619  18.397
  380    H    PHE  54           HN       PHE  54  22.598  23.797  17.372
  381    HA   PHE  54           HA       PHE  54  21.859  26.102  18.903
  382    HB2  PHE  54           HB2      PHE  54  24.178  25.357  17.839
  383    HB3  PHE  54           HB1      PHE  54  23.601  26.338  16.490
  384    HD1  PHE  54           HD1      PHE  54  24.185  26.403  20.179
  385    HD2  PHE  54           HD2      PHE  54  23.692  28.697  16.581
  386    HE1  PHE  54           HE1      PHE  54  24.812  28.465  21.407
  387    HE2  PHE  54           HE2      PHE  54  24.319  30.758  17.809
  388    HZ   PHE  54           HZ       PHE  54  24.879  30.643  20.222
  389    H    ARG  55           HN       ARG  55  20.037  24.820  16.728
  390    HA   ARG  55           HA       ARG  55  19.175  27.403  15.612
  391    HB2  ARG  55           HB2      ARG  55  18.969  25.014  13.844
  392    HB3  ARG  55           HB1      ARG  55  19.188  26.713  13.423
  393    HG2  ARG  55           HG2      ARG  55  21.521  26.573  14.355
  394    HG3  ARG  55           HG1      ARG  55  21.283  24.837  14.551
  395    HD2  ARG  55           HD2      ARG  55  21.951  24.583  12.418
  396    HD3  ARG  55           HD1      ARG  55  20.463  25.388  11.926
  397    HE   ARG  55           HE       ARG  55  22.142  27.459  12.507
  398   HH11  ARG  55          HH21      ARG  55  22.351  24.610  10.555
  399   HH12  ARG  55          HH22      ARG  55  23.420  25.318   9.391
  400   HH21  ARG  55          HH11      ARG  55  23.543  28.395  10.983
  401   HH22  ARG  55          HH12      ARG  55  24.094  27.461   9.633
  402    H    LYS  56           HN       LYS  56  18.439  24.796  17.429
  403    HA   LYS  56           HA       LYS  56  15.807  24.159  16.481
  404    HB2  LYS  56           HB2      LYS  56  17.573  23.032  18.292
  405    HB3  LYS  56           HB1      LYS  56  16.291  23.670  19.322
  406    HG2  LYS  56           HG2      LYS  56  15.593  21.468  18.731
  407    HG3  LYS  56           HG1      LYS  56  14.640  22.551  17.717
  408    HD2  LYS  56           HD2      LYS  56  16.948  22.131  16.223
  409    HD3  LYS  56           HD1      LYS  56  16.627  20.552  16.938
  410    HE2  LYS  56           HE2      LYS  56  15.399  20.608  14.885
  411    HE3  LYS  56           HE1      LYS  56  14.213  20.836  16.171
  412    HZ1  LYS  56           HZ1      LYS  56  14.128  22.407  14.186
  413    HZ2  LYS  56           HZ2      LYS  56  15.511  23.138  14.851
  414    HZ3  LYS  56           HZ3      LYS  56  14.058  23.099  15.733
  415    H    LYS  57           HN       LYS  57  16.941  25.883  19.399
  416    HA   LYS  57           HA       LYS  57  14.464  26.822  20.260
  417    HB2  LYS  57           HB2      LYS  57  15.735  28.558  21.468
  418    HB3  LYS  57           HB1      LYS  57  16.492  26.973  21.629
  419    HG2  LYS  57           HG2      LYS  57  18.396  27.848  20.813
  420    HG3  LYS  57           HG1      LYS  57  17.567  28.125  19.280
  421    HD2  LYS  57           HD2      LYS  57  18.470  30.242  20.055
  422    HD3  LYS  57           HD1      LYS  57  16.713  30.297  20.202
  423    HE2  LYS  57           HE2      LYS  57  16.938  30.754  22.392
  424    HE3  LYS  57           HE1      LYS  57  17.705  29.183  22.618
  425    HZ1  LYS  57           HZ1      LYS  57  19.770  30.419  21.689
  426    HZ2  LYS  57           HZ2      LYS  57  19.339  30.604  23.322
  427    HZ3  LYS  57           HZ3      LYS  57  18.946  31.813  22.193
  428    H    GLY  58           HN       GLY  58  16.249  27.692  17.490
  429    HA2  GLY  58           HA2      GLY  58  15.223  28.977  15.743
  430    HA3  GLY  58           HA1      GLY  58  14.377  29.909  16.973
  431    H    HIS  59           HN       HIS  59  17.802  29.048  16.442
  432    HA   HIS  59           HA       HIS  59  19.690  30.347  16.280
  433    HB2  HIS  59           HB2      HIS  59  17.968  32.757  15.766
  434    HB3  HIS  59           HB1      HIS  59  19.559  32.369  15.111
  435    HD2  HIS  59           HD2      HIS  59  18.331  29.171  14.305
  436    HE1  HIS  59           HE1      HIS  59  16.224  31.475  11.462
  437    HE2  HIS  59           HE2      HIS  59  16.957  29.124  12.085
  438    H    HIS  60           HN       HIS  60  17.303  32.679  17.546
  439    HA   HIS  60           HA       HIS  60  18.515  32.593  20.187
  440    HB2  HIS  60           HB2      HIS  60  19.728  34.284  18.481
  441    HB3  HIS  60           HB1      HIS  60  18.420  35.329  19.039
  442    HD2  HIS  60           HD2      HIS  60  18.417  34.188  22.212
  443    HE1  HIS  60           HE1      HIS  60  22.395  35.604  22.218
  444    HE2  HIS  60           HE2      HIS  60  20.455  34.883  23.690
  445    H    HIS  61           HN       HIS  61  16.797  32.526  21.477
  446    HA   HIS  61           HA       HIS  61  14.304  33.830  20.661
  447    HB2  HIS  61           HB2      HIS  61  14.625  31.405  21.684
  448    HB3  HIS  61           HB1      HIS  61  14.560  32.291  23.207
  449    HD2  HIS  61           HD2      HIS  61  12.293  32.737  19.946
  450    HE1  HIS  61           HE1      HIS  61   9.813  32.372  23.344
  451    HE2  HIS  61           HE2      HIS  61   9.837  32.737  20.831
  452    H    HIS  62           HN       HIS  62  13.214  34.243  23.215
  453    HA   HIS  62           HA       HIS  62  14.156  36.849  23.794
  454    HB2  HIS  62           HB2      HIS  62  11.841  35.638  24.272
  455    HB3  HIS  62           HB1      HIS  62  12.600  35.325  25.833
  456    HD2  HIS  62           HD2      HIS  62  11.020  38.289  23.884
  457    HE1  HIS  62           HE1      HIS  62  12.630  39.862  27.456
  458    HE2  HIS  62           HE2      HIS  62  11.174  40.379  25.441
  459    H    HIS  63           HN       HIS  63  14.900  37.572  25.959
  460    HA   HIS  63           HA       HIS  63  16.283  35.664  27.632
  461    HB2  HIS  63           HB2      HIS  63  17.786  36.167  25.576
  462    HB3  HIS  63           HB1      HIS  63  18.022  37.743  26.332
  463    HD2  HIS  63           HD2      HIS  63  17.979  36.221  29.475
  464    HE1  HIS  63           HE1      HIS  63  21.639  34.683  28.039
  465    HE2  HIS  63           HE2      HIS  63  20.234  35.072  30.118
  466    H    HIS  64           HN       HIS  64  14.239  37.393  28.253
  467    HA   HIS  64           HA       HIS  64  14.762  39.945  29.109
  468    HB2  HIS  64           HB2      HIS  64  12.621  38.447  29.338
  469    HB3  HIS  64           HB1      HIS  64  13.273  38.097  30.939
  470    HD2  HIS  64           HD2      HIS  64  13.675  40.524  32.563
  471    HE1  HIS  64           HE1      HIS  64  10.931  42.794  30.296
  472    HE2  HIS  64           HE2      HIS  64  12.268  42.721  32.454
  Start of MODEL   39
    1    H1   MET   1           HT1      MET   1  61.624  50.772 -31.499
    2    H2   MET   1           HT2      MET   1  61.156  50.037 -30.041
    3    H3   MET   1           HT3      MET   1  60.289  51.370 -30.638
    4    HA   MET   1           HA       MET   1  59.740  49.989 -32.640
    5    HB2  MET   1           HB2      MET   1  60.932  47.903 -30.797
    6    HB3  MET   1           HB1      MET   1  59.868  47.501 -32.146
    7    HG2  MET   1           HG2      MET   1  61.413  48.589 -33.714
    8    HG3  MET   1           HG1      MET   1  62.468  49.045 -32.377
    9    HE1  MET   1           HE1      MET   1  63.859  47.956 -34.423
   10    HE2  MET   1           HE2      MET   1  62.722  46.871 -35.218
   11    HE3  MET   1           HE3      MET   1  64.210  46.225 -34.532
   12    H    GLU   2           HN       GLU   2  57.597  50.158 -32.507
   13    HA   GLU   2           HA       GLU   2  56.247  50.046 -29.949
   14    HB2  GLU   2           HB2      GLU   2  55.312  50.566 -32.773
   15    HB3  GLU   2           HB1      GLU   2  54.207  50.495 -31.400
   16    HG2  GLU   2           HG2      GLU   2  55.182  52.379 -30.364
   17    HG3  GLU   2           HG1      GLU   2  56.644  52.269 -31.343
   18    H    GLU   3           HN       GLU   3  56.899  47.735 -29.626
   19    HA   GLU   3           HA       GLU   3  56.042  45.585 -31.146
   20    HB2  GLU   3           HB2      GLU   3  56.354  45.912 -28.163
   21    HB3  GLU   3           HB1      GLU   3  55.918  44.369 -28.900
   22    HG2  GLU   3           HG2      GLU   3  57.969  44.149 -29.981
   23    HG3  GLU   3           HG1      GLU   3  58.276  45.885 -29.969
   24    H    GLY   4           HN       GLY   4  54.160  44.460 -31.384
   25    HA2  GLY   4           HA2      GLY   4  51.725  45.784 -30.408
   26    HA3  GLY   4           HA1      GLY   4  51.814  44.625 -31.730
   27    H    GLY   5           HN       GLY   5  53.648  43.740 -29.007
   28    HA2  GLY   5           HA2      GLY   5  51.456  42.153 -27.846
   29    HA3  GLY   5           HA1      GLY   5  52.905  41.323 -28.404
   30    H    ASP   6           HN       ASP   6  51.480  43.188 -25.892
   31    HA   ASP   6           HA       ASP   6  53.744  44.108 -24.513
   32    HB2  ASP   6           HB2      ASP   6  51.355  44.709 -24.015
   33    HB3  ASP   6           HB1      ASP   6  51.171  43.125 -23.264
   34    H    PHE   7           HN       PHE   7  52.824  40.954 -25.194
   35    HA   PHE   7           HA       PHE   7  53.439  39.511 -22.891
   36    HB2  PHE   7           HB2      PHE   7  52.549  38.215 -24.606
   37    HB3  PHE   7           HB1      PHE   7  53.618  38.913 -25.824
   38    HD1  PHE   7           HD2      PHE   7  53.487  36.629 -22.894
   39    HD2  PHE   7           HD1      PHE   7  55.780  37.995 -26.258
   40    HE1  PHE   7           HE2      PHE   7  55.092  34.769 -22.554
   41    HE2  PHE   7           HE1      PHE   7  57.385  36.135 -25.919
   42    HZ   PHE   7           HZ       PHE   7  57.041  34.522 -24.067
   43    H    ASP   8           HN       ASP   8  55.458  41.493 -24.748
   44    HA   ASP   8           HA       ASP   8  57.937  40.182 -24.587
   45    HB2  ASP   8           HB2      ASP   8  56.993  42.694 -25.441
   46    HB3  ASP   8           HB1      ASP   8  58.234  43.028 -24.234
   47    H    ASN   9           HN       ASN   9  55.959  41.079 -22.095
   48    HA   ASN   9           HA       ASN   9  58.169  41.684 -20.244
   49    HB2  ASN   9           HB2      ASN   9  56.072  43.128 -20.330
   50    HB3  ASN   9           HB1      ASN   9  55.214  41.755 -19.632
   51   HD21  ASN   9          HD21      ASN   9  55.126  41.812 -17.389
   52   HD22  ASN   9          HD22      ASN   9  56.269  42.566 -16.386
   53    H    TYR  10           HN       TYR  10  56.799  39.026 -21.455
   54    HA   TYR  10           HA       TYR  10  56.830  36.826 -20.782
   55    HB2  TYR  10           HB2      TYR  10  57.711  37.567 -18.019
   56    HB3  TYR  10           HB1      TYR  10  58.162  36.175 -19.004
   57    HD1  TYR  10           HD2      TYR  10  58.997  37.301 -21.533
   58    HD2  TYR  10           HD1      TYR  10  59.651  38.798 -17.560
   59    HE1  TYR  10           HE2      TYR  10  61.016  38.506 -22.319
   60    HE2  TYR  10           HE1      TYR  10  61.671  40.002 -18.346
   61    HH   TYR  10           HH       TYR  10  62.620  39.951 -21.779
   62    H    TYR  11           HN       TYR  11  55.479  39.241 -18.616
   63    HA   TYR  11           HA       TYR  11  53.488  39.306 -17.483
   64    HB2  TYR  11           HB2      TYR  11  52.972  37.814 -19.773
   65    HB3  TYR  11           HB1      TYR  11  52.345  36.805 -18.476
   66    HD1  TYR  11           HD2      TYR  11  51.362  38.649 -16.483
   67    HD2  TYR  11           HD1      TYR  11  51.208  38.976 -20.764
   68    HE1  TYR  11           HE2      TYR  11  49.386  40.133 -16.298
   69    HE2  TYR  11           HE1      TYR  11  49.232  40.460 -20.578
   70    HH   TYR  11           HH       TYR  11  48.391  42.100 -18.103
   71    H    GLY  12           HN       GLY  12  51.968  36.916 -16.638
   72    HA2  GLY  12           HA2      GLY  12  53.118  36.438 -14.149
   73    HA3  GLY  12           HA1      GLY  12  51.921  35.393 -14.911
   74    H    ALA  13           HN       ALA  13  55.374  36.073 -14.680
   75    HA   ALA  13           HA       ALA  13  56.122  33.633 -16.040
   76    HB1  ALA  13           HB1      ALA  13  57.375  35.988 -15.779
   77    HB2  ALA  13           HB2      ALA  13  58.247  34.476 -16.037
   78    HB3  ALA  13           HB3      ALA  13  58.097  35.140 -14.410
   79    H    ASP  14           HN       ASP  14  56.578  34.900 -12.730
   80    HA   ASP  14           HA       ASP  14  57.594  32.545 -11.601
   81    HB2  ASP  14           HB2      ASP  14  56.965  33.514  -9.442
   82    HB3  ASP  14           HB1      ASP  14  57.679  34.743 -10.486
   83    H    ASN  15           HN       ASN  15  54.313  33.539 -12.302
   84    HA   ASN  15           HA       ASN  15  52.775  31.937 -10.700
   85    HB2  ASN  15           HB2      ASN  15  52.420  33.327 -13.144
   86    HB3  ASN  15           HB1      ASN  15  51.770  31.706 -13.375
   87   HD21  ASN  15          HD21      ASN  15  49.684  31.373 -12.580
   88   HD22  ASN  15          HD22      ASN  15  48.916  32.368 -11.440
   89    H    GLN  16           HN       GLN  16  54.791  30.974 -13.399
   90    HA   GLN  16           HA       GLN  16  53.879  28.186 -13.123
   91    HB2  GLN  16           HB2      GLN  16  55.743  29.263 -15.237
   92    HB3  GLN  16           HB1      GLN  16  54.786  27.781 -15.276
   93    HG2  GLN  16           HG2      GLN  16  52.755  29.435 -14.997
   94    HG3  GLN  16           HG1      GLN  16  53.892  30.623 -15.635
   95   HE21  GLN  16          HE21      GLN  16  53.962  30.741 -17.882
   96   HE22  GLN  16          HE22      GLN  16  53.476  29.501 -18.935
   97    H    SER  17           HN       SER  17  55.429  29.228 -11.033
   98    HA   SER  17           HA       SER  17  58.153  28.239 -11.475
   99    HB2  SER  17           HB2      SER  17  56.835  29.777  -9.244
  100    HB3  SER  17           HB1      SER  17  58.438  29.071  -9.068
  101    HG   SER  17           HG       SER  17  57.752  30.687 -11.281
  102    H    GLU  18           HN       GLU  18  56.408  26.182 -11.681
  103    HA   GLU  18           HA       GLU  18  55.731  24.167 -10.776
  104    HB2  GLU  18           HB2      GLU  18  58.383  24.278 -10.760
  105    HB3  GLU  18           HB1      GLU  18  58.141  24.215  -9.015
  106    HG2  GLU  18           HG2      GLU  18  56.648  22.210  -9.383
  107    HG3  GLU  18           HG1      GLU  18  57.160  22.219 -11.070
  108    H    CYS  19           HN       CYS  19  54.454  26.259  -9.502
  109    HA   CYS  19           HA       CYS  19  54.695  25.881  -6.624
  110    HB2  CYS  19           HB2      CYS  19  52.647  27.505  -8.148
  111    HB3  CYS  19           HB1      CYS  19  53.059  27.638  -6.438
  112    HG   CYS  19           HG       CYS  19  54.367  29.470  -7.889
  113    H    GLU  20           HN       GLU  20  51.931  25.747  -8.886
  114    HA   GLU  20           HA       GLU  20  51.038  23.262  -7.610
  115    HB2  GLU  20           HB2      GLU  20  49.530  25.863  -7.626
  116    HB3  GLU  20           HB1      GLU  20  48.669  24.324  -7.603
  117    HG2  GLU  20           HG2      GLU  20  49.879  23.652  -5.577
  118    HG3  GLU  20           HG1      GLU  20  50.797  25.156  -5.609
  119    H    TYR  21           HN       TYR  21  52.033  22.925  -9.924
  120    HA   TYR  21           HA       TYR  21  49.746  22.652 -11.735
  121    HB2  TYR  21           HB2      TYR  21  52.370  23.874 -12.620
  122    HB3  TYR  21           HB1      TYR  21  50.958  23.566 -13.633
  123    HD1  TYR  21           HD2      TYR  21  52.224  25.551 -10.757
  124    HD2  TYR  21           HD1      TYR  21  49.084  25.053 -13.646
  125    HE1  TYR  21           HE2      TYR  21  51.278  27.751 -10.109
  126    HE2  TYR  21           HE1      TYR  21  48.138  27.252 -12.998
  127    HH   TYR  21           HH       TYR  21  49.479  29.101 -10.292
  128    H    THR  22           HN       THR  22  51.324  20.816 -10.091
  129    HA   THR  22           HA       THR  22  51.736  18.762 -12.019
  130    HB   THR  22           HB       THR  22  53.831  19.479 -12.613
  131    HG1  THR  22           HG1      THR  22  54.338  17.579 -11.680
  132   HG21  THR  22          HG21      THR  22  53.781  20.844  -9.942
  133   HG22  THR  22          HG22      THR  22  54.038  21.538 -11.542
  134   HG23  THR  22          HG23      THR  22  55.321  20.609 -10.767
  135    H    ASP  23           HN       ASP  23  52.742  19.895  -8.794
  136    HA   ASP  23           HA       ASP  23  52.555  17.199  -7.712
  137    HB2  ASP  23           HB2      ASP  23  54.282  18.992  -7.043
  138    HB3  ASP  23           HB1      ASP  23  52.971  19.718  -6.115
  139    H    TRP  24           HN       TRP  24  50.122  18.167  -8.775
  140    HA   TRP  24           HA       TRP  24  48.386  17.711  -6.552
  141    HB2  TRP  24           HB2      TRP  24  47.438  19.793  -6.197
  142    HB3  TRP  24           HB1      TRP  24  49.119  20.245  -6.487
  143    HD1  TRP  24           HD1      TRP  24  49.718  21.010  -9.058
  144    HE1  TRP  24           HE1      TRP  24  48.266  22.300 -10.754
  145    HE3  TRP  24           HE3      TRP  24  45.097  20.264  -7.014
  146    HZ2  TRP  24           HZ2      TRP  24  45.511  22.933 -11.187
  147    HZ3  TRP  24           HZ3      TRP  24  43.079  21.221  -8.087
  148    HH2  TRP  24           HH2      TRP  24  43.280  22.553 -10.169
  149    H    LYS  25           HN       LYS  25  49.011  16.868  -9.362
  150    HA   LYS  25           HA       LYS  25  47.227  17.533 -11.296
  151    HB2  LYS  25           HB2      LYS  25  48.889  15.341 -10.793
  152    HB3  LYS  25           HB1      LYS  25  47.288  14.644 -11.039
  153    HG2  LYS  25           HG2      LYS  25  48.320  14.805 -13.205
  154    HG3  LYS  25           HG1      LYS  25  47.095  16.071 -13.124
  155    HD2  LYS  25           HD2      LYS  25  49.424  17.237 -12.064
  156    HD3  LYS  25           HD1      LYS  25  49.963  16.327 -13.476
  157    HE2  LYS  25           HE2      LYS  25  47.801  18.447 -13.381
  158    HE3  LYS  25           HE1      LYS  25  49.340  18.527 -14.239
  159    HZ1  LYS  25           HZ1      LYS  25  46.885  17.167 -14.960
  160    HZ2  LYS  25           HZ2      LYS  25  48.307  16.281 -15.237
  161    HZ3  LYS  25           HZ3      LYS  25  48.103  17.809 -15.951
  162    H    SER  26           HN       SER  26  46.555  15.642  -8.395
  163    HA   SER  26           HA       SER  26  44.535  15.309  -7.313
  164    HB2  SER  26           HB2      SER  26  42.914  16.384  -9.562
  165    HB3  SER  26           HB1      SER  26  42.723  16.610  -7.826
  166    HG   SER  26           HG       SER  26  43.701  18.437  -8.144
  167    H    SER  27           HN       SER  27  44.251  13.165  -7.306
  168    HA   SER  27           HA       SER  27  43.782  11.696  -9.767
  169    HB2  SER  27           HB2      SER  27  45.130  10.973  -7.615
  170    HB3  SER  27           HB1      SER  27  43.543  10.452  -7.058
  171    HG   SER  27           HG       SER  27  45.145   9.163  -8.653
  172    H    GLY  28           HN       GLY  28  41.742  13.474  -9.480
  173    HA2  GLY  28           HA2      GLY  28  39.433  12.247  -9.956
  174    HA3  GLY  28           HA1      GLY  28  39.486  12.128  -8.200
  175    H    ALA  29           HN       ALA  29  40.759  14.621  -7.697
  176    HA   ALA  29           HA       ALA  29  40.403  16.910  -7.637
  177    HB1  ALA  29           HB1      ALA  29  39.230  17.989  -9.291
  178    HB2  ALA  29           HB2      ALA  29  37.954  16.773  -9.334
  179    HB3  ALA  29           HB3      ALA  29  39.509  16.447 -10.099
  180    H    LEU  30           HN       LEU  30  39.553  15.310  -5.631
  181    HA   LEU  30           HA       LEU  30  37.360  16.846  -4.559
  182    HB2  LEU  30           HB2      LEU  30  35.851  15.019  -4.111
  183    HB3  LEU  30           HB1      LEU  30  36.185  15.047  -5.840
  184    HG   LEU  30           HG       LEU  30  37.513  13.209  -3.816
  185   HD11  LEU  30          HD11      LEU  30  35.840  11.769  -4.224
  186   HD12  LEU  30          HD12      LEU  30  36.079  11.930  -5.964
  187   HD13  LEU  30          HD13      LEU  30  35.010  13.046  -5.114
  188   HD21  LEU  30          HD21      LEU  30  37.937  13.766  -6.734
  189   HD22  LEU  30          HD22      LEU  30  38.178  12.128  -6.133
  190   HD23  LEU  30          HD23      LEU  30  39.135  13.457  -5.478
  191    H    ILE  31           HN       ILE  31  40.247  15.971  -4.110
  192    HA   ILE  31           HA       ILE  31  40.265  14.437  -1.703
  193    HB   ILE  31           HB       ILE  31  42.517  16.291  -2.222
  194   HG12  ILE  31          HG12      ILE  31  41.513  14.250  -4.202
  195   HG13  ILE  31          HG11      ILE  31  42.122  15.878  -4.508
  196   HG21  ILE  31          HG21      ILE  31  42.315  14.286  -0.573
  197   HG22  ILE  31          HG22      ILE  31  43.792  14.445  -1.522
  198   HG23  ILE  31          HG23      ILE  31  42.554  13.288  -2.007
  199   HD11  ILE  31          HD11      ILE  31  43.663  13.374  -3.872
  200   HD12  ILE  31          HD12      ILE  31  44.355  14.955  -3.505
  201   HD13  ILE  31          HD13      ILE  31  43.930  14.542  -5.166
  202    HA   PRO  32           HA       PRO  32  40.540  18.652   0.456
  203    HB2  PRO  32           HB2      PRO  32  39.853  20.900  -0.954
  204    HB3  PRO  32           HB1      PRO  32  41.499  20.254  -0.871
  205    HG2  PRO  32           HG2      PRO  32  39.611  20.250  -3.095
  206    HG3  PRO  32           HG1      PRO  32  41.364  20.023  -3.102
  207    HD2  PRO  32           HD2      PRO  32  39.321  18.005  -3.301
  208    HD3  PRO  32           HD1      PRO  32  41.083  17.777  -3.310
  209    H    ALA  33           HN       ALA  33  38.102  17.137  -0.817
  210    HA   ALA  33           HA       ALA  33  36.023  18.844   0.423
  211    HB1  ALA  33           HB1      ALA  33  35.694  18.768  -1.996
  212    HB2  ALA  33           HB2      ALA  33  34.422  17.852  -1.188
  213    HB3  ALA  33           HB3      ALA  33  35.757  17.006  -1.969
  214    H    ILE  34           HN       ILE  34  37.544  15.762   0.186
  215    HA   ILE  34           HA       ILE  34  35.472  14.522   1.882
  216    HB   ILE  34           HB       ILE  34  37.504  13.448  -0.039
  217   HG12  ILE  34          HG12      ILE  34  35.606  12.152  -0.807
  218   HG13  ILE  34          HG11      ILE  34  34.653  12.633   0.597
  219   HG21  ILE  34          HG21      ILE  34  36.457  12.075   2.437
  220   HG22  ILE  34          HG22      ILE  34  38.112  12.130   1.827
  221   HG23  ILE  34          HG23      ILE  34  36.899  11.153   1.001
  222   HD11  ILE  34          HD11      ILE  34  34.296  13.896  -1.666
  223   HD12  ILE  34          HD12      ILE  34  35.788  14.730  -1.235
  224   HD13  ILE  34          HD13      ILE  34  34.385  14.829  -0.172
  225    H    TYR  35           HN       TYR  35  39.024  14.344   1.533
  226    HA   TYR  35           HA       TYR  35  39.681  13.356   4.003
  227    HB2  TYR  35           HB2      TYR  35  41.712  13.650   3.111
  228    HB3  TYR  35           HB1      TYR  35  41.047  14.750   1.902
  229    HD1  TYR  35           HD1      TYR  35  40.905  17.185   2.355
  230    HD2  TYR  35           HD2      TYR  35  42.792  14.477   5.104
  231    HE1  TYR  35           HE1      TYR  35  41.984  19.102   3.501
  232    HE2  TYR  35           HE2      TYR  35  43.872  16.394   6.250
  233    HH   TYR  35           HH       TYR  35  44.549  18.799   5.566
  234    H    MET  36           HN       MET  36  38.882  16.691   3.159
  235    HA   MET  36           HA       MET  36  39.452  17.714   5.794
  236    HB2  MET  36           HB2      MET  36  39.584  19.070   3.677
  237    HB3  MET  36           HB1      MET  36  37.822  19.012   3.603
  238    HG2  MET  36           HG2      MET  36  37.793  20.815   4.953
  239    HG3  MET  36           HG1      MET  36  38.405  19.774   6.238
  240    HE1  MET  36           HE1      MET  36  39.196  22.800   3.899
  241    HE2  MET  36           HE2      MET  36  39.451  21.331   2.963
  242    HE3  MET  36           HE3      MET  36  40.819  22.373   3.342
  243    H    LEU  37           HN       LEU  37  36.475  17.122   3.919
  244    HA   LEU  37           HA       LEU  37  34.760  17.699   6.153
  245    HB2  LEU  37           HB2      LEU  37  34.070  16.231   3.600
  246    HB3  LEU  37           HB1      LEU  37  32.954  17.049   4.693
  247    HG   LEU  37           HG       LEU  37  35.163  18.391   3.104
  248   HD11  LEU  37          HD11      LEU  37  33.640  18.796   1.483
  249   HD12  LEU  37          HD12      LEU  37  32.392  19.217   2.655
  250   HD13  LEU  37          HD13      LEU  37  32.672  17.528   2.233
  251   HD21  LEU  37          HD21      LEU  37  33.711  20.435   3.923
  252   HD22  LEU  37          HD22      LEU  37  34.924  19.738   4.998
  253   HD23  LEU  37          HD23      LEU  37  33.222  19.323   5.201
  254    H    VAL  38           HN       VAL  38  36.803  15.639   6.588
  255    HA   VAL  38           HA       VAL  38  35.010  13.544   7.585
  256    HB   VAL  38           HB       VAL  38  37.348  13.088   5.735
  257   HG11  VAL  38          HG11      VAL  38  37.857  11.539   7.415
  258   HG12  VAL  38          HG12      VAL  38  36.796  10.603   6.363
  259   HG13  VAL  38          HG13      VAL  38  36.164  11.307   7.850
  260   HG21  VAL  38          HG21      VAL  38  35.678  11.634   4.605
  261   HG22  VAL  38          HG22      VAL  38  35.125  13.304   4.711
  262   HG23  VAL  38          HG23      VAL  38  34.482  12.091   5.817
  263    H    PHE  39           HN       PHE  39  37.930  15.380   7.727
  264    HA   PHE  39           HA       PHE  39  39.138  13.882   9.875
  265    HB2  PHE  39           HB2      PHE  39  40.761  15.021   8.693
  266    HB3  PHE  39           HB1      PHE  39  39.734  16.430   8.431
  267    HD1  PHE  39           HD1      PHE  39  40.723  14.547  11.521
  268    HD2  PHE  39           HD2      PHE  39  40.709  18.303   9.437
  269    HE1  PHE  39           HE1      PHE  39  41.731  15.650  13.501
  270    HE2  PHE  39           HE2      PHE  39  41.716  19.406  11.416
  271    HZ   PHE  39           HZ       PHE  39  42.228  18.079  13.448
  272    H    LEU  40           HN       LEU  40  37.439  17.000   9.602
  273    HA   LEU  40           HA       LEU  40  37.201  17.085  12.537
  274    HB2  LEU  40           HB2      LEU  40  36.580  19.437  12.228
  275    HB3  LEU  40           HB1      LEU  40  38.119  19.093  11.438
  276    HG   LEU  40           HG       LEU  40  36.179  18.516   9.500
  277   HD11  LEU  40          HD11      LEU  40  35.578  21.153  10.874
  278   HD12  LEU  40          HD12      LEU  40  34.539  19.729  10.927
  279   HD13  LEU  40          HD13      LEU  40  34.826  20.555   9.395
  280   HD21  LEU  40          HD21      LEU  40  38.327  19.496   8.994
  281   HD22  LEU  40          HD22      LEU  40  37.966  20.920   9.970
  282   HD23  LEU  40          HD23      LEU  40  37.094  20.640   8.462
  283    H    LEU  41           HN       LEU  41  35.559  15.708  10.166
  284    HA   LEU  41           HA       LEU  41  32.961  16.205  11.462
  285    HB2  LEU  41           HB2      LEU  41  33.687  16.923   8.760
  286    HB3  LEU  41           HB1      LEU  41  32.396  15.721   8.751
  287    HG   LEU  41           HG       LEU  41  32.350  18.233  10.445
  288   HD11  LEU  41          HD11      LEU  41  32.275  18.873   8.100
  289   HD12  LEU  41          HD12      LEU  41  30.651  19.012   8.775
  290   HD13  LEU  41          HD13      LEU  41  31.069  17.630   7.764
  291   HD21  LEU  41          HD21      LEU  41  30.849  15.833  10.511
  292   HD22  LEU  41          HD22      LEU  41  29.798  17.050   9.786
  293   HD23  LEU  41          HD23      LEU  41  30.507  17.329  11.377
  294    H    GLY  42           HN       GLY  42  35.179  14.040  11.200
  295    HA2  GLY  42           HA2      GLY  42  33.289  11.809  10.779
  296    HA3  GLY  42           HA1      GLY  42  34.886  11.771  10.034
  297    H    THR  43           HN       THR  43  35.252  13.386  12.872
  298    HA   THR  43           HA       THR  43  35.463  11.050  14.609
  299    HB   THR  43           HB       THR  43  37.820  12.573  13.538
  300    HG1  THR  43           HG1      THR  43  37.035   9.901  13.931
  301   HG21  THR  43          HG21      THR  43  39.055  11.377  15.494
  302   HG22  THR  43          HG22      THR  43  37.470  11.355  16.268
  303   HG23  THR  43          HG23      THR  43  38.216  12.892  15.830
  304    H    THR  44           HN       THR  44  36.315  14.490  14.240
  305    HA   THR  44           HA       THR  44  36.249  15.114  16.998
  306    HB   THR  44           HB       THR  44  35.958  16.784  14.503
  307    HG1  THR  44           HG1      THR  44  37.948  16.720  16.515
  308   HG21  THR  44          HG21      THR  44  34.718  18.049  16.060
  309   HG22  THR  44          HG22      THR  44  36.348  18.710  16.184
  310   HG23  THR  44          HG23      THR  44  35.760  17.579  17.403
  311    H    GLY  45           HN       GLY  45  33.769  14.317  14.846
  312    HA2  GLY  45           HA2      GLY  45  31.594  15.851  15.362
  313    HA3  GLY  45           HA1      GLY  45  31.496  14.095  15.258
  314    H    ASN  46           HN       ASN  46  32.347  12.995  17.378
  315    HA   ASN  46           HA       ASN  46  31.818  14.458  19.815
  316    HB2  ASN  46           HB2      ASN  46  29.530  13.966  19.077
  317    HB3  ASN  46           HB1      ASN  46  29.932  12.255  18.950
  318   HD21  ASN  46          HD21      ASN  46  31.090  14.411  21.547
  319   HD22  ASN  46          HD22      ASN  46  30.246  13.626  22.793
  320    H    GLY  47           HN       GLY  47  30.916  11.213  20.043
  321    HA2  GLY  47           HA2      GLY  47  33.088  10.499  21.688
  322    HA3  GLY  47           HA1      GLY  47  31.923   9.377  20.990
  323    H    LEU  48           HN       LEU  48  33.036   7.792  20.051
  324    HA   LEU  48           HA       LEU  48  34.443   6.685  18.617
  325    HB2  LEU  48           HB2      LEU  48  35.038   9.330  17.300
  326    HB3  LEU  48           HB1      LEU  48  35.072   7.720  16.588
  327    HG   LEU  48           HG       LEU  48  32.644   9.310  17.444
  328   HD11  LEU  48          HD11      LEU  48  33.909   9.362  15.088
  329   HD12  LEU  48          HD12      LEU  48  32.150   9.438  15.195
  330   HD13  LEU  48          HD13      LEU  48  32.945   7.908  14.826
  331   HD21  LEU  48          HD21      LEU  48  32.954   6.365  16.834
  332   HD22  LEU  48          HD22      LEU  48  31.416   7.199  16.617
  333   HD23  LEU  48          HD23      LEU  48  32.153   7.114  18.216
  334    H    VAL  49           HN       VAL  49  35.434   9.118  20.679
  335    HA   VAL  49           HA       VAL  49  38.278   8.386  20.339
  336    HB   VAL  49           HB       VAL  49  38.344  10.662  19.932
  337   HG11  VAL  49          HG11      VAL  49  35.844  10.687  21.503
  338   HG12  VAL  49          HG12      VAL  49  36.307  11.651  20.104
  339   HG13  VAL  49          HG13      VAL  49  36.858  12.112  21.714
  340   HG21  VAL  49          HG21      VAL  49  38.346  10.797  22.948
  341   HG22  VAL  49          HG22      VAL  49  39.369  11.669  21.807
  342   HG23  VAL  49          HG23      VAL  49  39.614   9.943  22.068
  343    H    LEU  50           HN       LEU  50  35.572   8.769  22.502
  344    HA   LEU  50           HA       LEU  50  37.149   7.447  24.624
  345    HB2  LEU  50           HB2      LEU  50  35.454   8.699  26.187
  346    HB3  LEU  50           HB1      LEU  50  36.884   9.542  25.596
  347    HG   LEU  50           HG       LEU  50  35.570  10.550  23.790
  348   HD11  LEU  50          HD11      LEU  50  33.395   8.812  24.952
  349   HD12  LEU  50          HD12      LEU  50  33.915   8.941  23.271
  350   HD13  LEU  50          HD13      LEU  50  33.008  10.256  24.018
  351   HD21  LEU  50          HD21      LEU  50  35.654  11.803  25.854
  352   HD22  LEU  50          HD22      LEU  50  34.374  10.817  26.559
  353   HD23  LEU  50          HD23      LEU  50  34.009  11.914  25.228
  354    H    TRP  51           HN       TRP  51  34.822   7.026  22.425
  355    HA   TRP  51           HA       TRP  51  32.819   5.737  24.093
  356    HB2  TRP  51           HB2      TRP  51  31.889   6.752  22.187
  357    HB3  TRP  51           HB1      TRP  51  33.160   6.140  21.130
  358    HD1  TRP  51           HD1      TRP  51  30.603   4.492  23.536
  359    HE1  TRP  51           HE1      TRP  51  29.572   2.459  22.331
  360    HE3  TRP  51           HE3      TRP  51  33.073   4.766  19.075
  361    HZ2  TRP  51           HZ2      TRP  51  29.771   1.126  19.808
  362    HZ3  TRP  51           HZ3      TRP  51  32.634   3.104  17.290
  363    HH2  TRP  51           HH2      TRP  51  30.986   1.286  17.652
  364    H    THR  52           HN       THR  52  34.243   4.394  21.151
  365    HA   THR  52           HA       THR  52  34.041   1.747  21.704
  366    HB   THR  52           HB       THR  52  34.918   2.038  19.612
  367    HG1  THR  52           HG1      THR  52  37.487   1.960  20.606
  368   HG21  THR  52          HG21      THR  52  36.477   4.259  20.905
  369   HG22  THR  52          HG22      THR  52  35.351   4.335  19.549
  370   HG23  THR  52          HG23      THR  52  36.960   3.649  19.321
  371    H    VAL  53           HN       VAL  53  36.825   3.782  22.619
  372    HA   VAL  53           HA       VAL  53  38.397   1.900  23.880
  373    HB   VAL  53           HB       VAL  53  37.909   4.807  24.522
  374   HG11  VAL  53          HG11      VAL  53  38.705   4.143  26.592
  375   HG12  VAL  53          HG12      VAL  53  40.234   4.373  25.742
  376   HG13  VAL  53          HG13      VAL  53  39.565   2.752  25.931
  377   HG21  VAL  53          HG21      VAL  53  39.074   3.973  22.373
  378   HG22  VAL  53          HG22      VAL  53  40.386   3.462  23.434
  379   HG23  VAL  53          HG23      VAL  53  39.939   5.166  23.343
  380    H    PHE  54           HN       PHE  54  35.643   3.695  25.216
  381    HA   PHE  54           HA       PHE  54  35.851   2.525  27.825
  382    HB2  PHE  54           HB2      PHE  54  34.703   4.737  27.150
  383    HB3  PHE  54           HB1      PHE  54  33.341   3.722  26.673
  384    HD1  PHE  54           HD2      PHE  54  35.648   4.402  29.539
  385    HD2  PHE  54           HD1      PHE  54  31.800   2.968  28.280
  386    HE1  PHE  54           HE2      PHE  54  34.932   4.244  31.908
  387    HE2  PHE  54           HE1      PHE  54  31.084   2.809  30.650
  388    HZ   PHE  54           HZ       PHE  54  32.650   3.447  32.463
  389    H    ARG  55           HN       ARG  55  35.461   0.900  25.180
  390    HA   ARG  55           HA       ARG  55  33.532  -0.980  26.368
  391    HB2  ARG  55           HB2      ARG  55  33.436   0.238  23.629
  392    HB3  ARG  55           HB1      ARG  55  32.842  -1.405  23.875
  393    HG2  ARG  55           HG2      ARG  55  31.071  -0.720  25.175
  394    HG3  ARG  55           HG1      ARG  55  31.949   0.665  25.826
  395    HD2  ARG  55           HD2      ARG  55  30.088   1.297  24.259
  396    HD3  ARG  55           HD1      ARG  55  31.668   1.897  23.767
  397    HE   ARG  55           HE       ARG  55  31.589   0.473  21.921
  398   HH11  ARG  55          HH21      ARG  55  29.115  -0.276  24.222
  399   HH12  ARG  55          HH22      ARG  55  28.278  -1.371  23.173
  400   HH21  ARG  55          HH11      ARG  55  30.496  -0.961  20.539
  401   HH22  ARG  55          HH12      ARG  55  29.060  -1.759  21.088
  402    H    LYS  56           HN       LYS  56  36.344  -0.330  24.440
  403    HA   LYS  56           HA       LYS  56  36.789  -3.012  23.540
  404    HB2  LYS  56           HB2      LYS  56  38.675  -0.660  23.814
  405    HB3  LYS  56           HB1      LYS  56  39.070  -2.177  23.006
  406    HG2  LYS  56           HG2      LYS  56  36.560  -0.792  22.177
  407    HG3  LYS  56           HG1      LYS  56  38.091  -0.086  21.656
  408    HD2  LYS  56           HD2      LYS  56  38.769  -2.218  20.661
  409    HD3  LYS  56           HD1      LYS  56  37.284  -2.978  21.235
  410    HE2  LYS  56           HE2      LYS  56  37.035  -2.355  18.879
  411    HE3  LYS  56           HE1      LYS  56  35.963  -1.369  19.875
  412    HZ1  LYS  56           HZ1      LYS  56  36.932   0.393  18.979
  413    HZ2  LYS  56           HZ2      LYS  56  38.107  -0.557  18.202
  414    HZ3  LYS  56           HZ3      LYS  56  38.360  -0.019  19.794
  415    H    LYS  57           HN       LYS  57  37.143  -1.448  26.539
  416    HA   LYS  57           HA       LYS  57  39.398  -2.623  27.665
  417    HB2  LYS  57           HB2      LYS  57  38.279  -2.311  29.835
  418    HB3  LYS  57           HB1      LYS  57  38.069  -0.896  28.802
  419    HG2  LYS  57           HG2      LYS  57  35.841  -1.104  29.025
  420    HG3  LYS  57           HG1      LYS  57  35.930  -2.663  28.205
  421    HD2  LYS  57           HD2      LYS  57  34.881  -2.996  30.368
  422    HD3  LYS  57           HD1      LYS  57  36.488  -3.724  30.409
  423    HE2  LYS  57           HE2      LYS  57  36.994  -2.438  32.183
  424    HE3  LYS  57           HE1      LYS  57  36.800  -1.008  31.170
  425    HZ1  LYS  57           HZ1      LYS  57  35.335  -1.330  33.275
  426    HZ2  LYS  57           HZ2      LYS  57  34.412  -2.327  32.254
  427    HZ3  LYS  57           HZ3      LYS  57  34.656  -0.693  31.857
  428    H    GLY  58           HN       GLY  58  36.390  -4.053  26.753
  429    HA2  GLY  58           HA2      GLY  58  35.500  -6.165  27.045
  430    HA3  GLY  58           HA1      GLY  58  37.171  -6.677  26.820
  431    H    HIS  59           HN       HIS  59  38.440  -7.182  28.612
  432    HA   HIS  59           HA       HIS  59  38.694  -8.293  30.630
  433    HB2  HIS  59           HB2      HIS  59  37.823  -5.501  31.155
  434    HB3  HIS  59           HB1      HIS  59  37.842  -6.603  32.532
  435    HD2  HIS  59           HD2      HIS  59  40.353  -4.662  30.310
  436    HE1  HIS  59           HE1      HIS  59  42.621  -7.205  32.802
  437    HE2  HIS  59           HE2      HIS  59  42.746  -5.276  31.155
  438    H    HIS  60           HN       HIS  60  35.938  -6.533  31.868
  439    HA   HIS  60           HA       HIS  60  34.248  -8.930  31.732
  440    HB2  HIS  60           HB2      HIS  60  34.016  -9.212  34.002
  441    HB3  HIS  60           HB1      HIS  60  35.682  -8.636  33.956
  442    HD2  HIS  60           HD2      HIS  60  35.319  -5.441  33.818
  443    HE1  HIS  60           HE1      HIS  60  32.619  -5.834  37.039
  444    HE2  HIS  60           HE2      HIS  60  34.066  -4.199  35.743
  445    H    HIS  61           HN       HIS  61  32.009  -8.411  32.622
  446    HA   HIS  61           HA       HIS  61  31.284  -5.582  32.322
  447    HB2  HIS  61           HB2      HIS  61  30.950  -7.441  30.242
  448    HB3  HIS  61           HB1      HIS  61  29.350  -7.243  30.959
  449    HD2  HIS  61           HD2      HIS  61  32.187  -4.616  29.924
  450    HE1  HIS  61           HE1      HIS  61  28.396  -3.101  28.846
  451    HE2  HIS  61           HE2      HIS  61  30.892  -2.630  28.829
  452    H    HIS  62           HN       HIS  62  31.145  -8.323  34.083
  453    HA   HIS  62           HA       HIS  62  29.906  -8.915  35.930
  454    HB2  HIS  62           HB2      HIS  62  29.663  -6.230  35.903
  455    HB3  HIS  62           HB1      HIS  62  27.978  -6.681  35.648
  456    HD2  HIS  62           HD2      HIS  62  26.892  -6.562  38.193
  457    HE1  HIS  62           HE1      HIS  62  29.925  -8.686  40.221
  458    HE2  HIS  62           HE2      HIS  62  27.651  -7.582  40.474
  459    H    HIS  63           HN       HIS  63  28.526 -10.563  35.881
  460    HA   HIS  63           HA       HIS  63  25.900 -10.368  34.765
  461    HB2  HIS  63           HB2      HIS  63  27.653 -10.767  32.798
  462    HB3  HIS  63           HB1      HIS  63  27.503 -12.439  33.340
  463    HD2  HIS  63           HD2      HIS  63  25.569  -9.951  31.164
  464    HE1  HIS  63           HE1      HIS  63  22.859 -13.056  32.077
  465    HE2  HIS  63           HE2      HIS  63  23.247 -11.013  30.620
  466    H    HIS  64           HN       HIS  64  26.828 -11.039  37.285
  467    HA   HIS  64           HA       HIS  64  27.261 -13.725  37.850
  468    HB2  HIS  64           HB2      HIS  64  27.218 -11.673  39.432
  469    HB3  HIS  64           HB1      HIS  64  25.495 -12.018  39.584
  470    HD2  HIS  64           HD2      HIS  64  25.366 -15.172  39.994
  471    HE1  HIS  64           HE1      HIS  64  28.491 -14.766  42.803
  472    HE2  HIS  64           HE2      HIS  64  26.654 -16.305  41.962
  Start of MODEL   40
    1    H1   MET   1           HT1      MET   1  72.199  20.469 -18.590
    2    H2   MET   1           HT2      MET   1  73.519  20.569 -19.655
    3    H3   MET   1           HT3      MET   1  71.978  21.074 -20.159
    4    HA   MET   1           HA       MET   1  71.997  22.920 -18.680
    5    HB2  MET   1           HB2      MET   1  74.011  23.313 -17.252
    6    HB3  MET   1           HB1      MET   1  73.125  21.856 -16.797
    7    HG2  MET   1           HG2      MET   1  75.025  21.163 -18.827
    8    HG3  MET   1           HG1      MET   1  75.861  22.068 -17.564
    9    HE1  MET   1           HE1      MET   1  76.409  19.136 -18.398
   10    HE2  MET   1           HE2      MET   1  74.726  18.729 -18.728
   11    HE3  MET   1           HE3      MET   1  75.610  17.849 -17.485
   12    H    GLU   2           HN       GLU   2  72.103  23.306 -21.088
   13    HA   GLU   2           HA       GLU   2  74.780  24.101 -22.013
   14    HB2  GLU   2           HB2      GLU   2  72.211  24.035 -23.606
   15    HB3  GLU   2           HB1      GLU   2  73.860  24.123 -24.226
   16    HG2  GLU   2           HG2      GLU   2  74.299  21.889 -23.133
   17    HG3  GLU   2           HG1      GLU   2  72.576  21.795 -22.777
   18    H    GLU   3           HN       GLU   3  74.119  25.792 -20.113
   19    HA   GLU   3           HA       GLU   3  72.424  27.927 -20.582
   20    HB2  GLU   3           HB2      GLU   3  75.045  27.673 -19.143
   21    HB3  GLU   3           HB1      GLU   3  74.283  29.255 -19.311
   22    HG2  GLU   3           HG2      GLU   3  72.333  28.560 -18.145
   23    HG3  GLU   3           HG1      GLU   3  72.764  26.857 -18.282
   24    H    GLY   4           HN       GLY   4  72.721  30.010 -21.482
   25    HA2  GLY   4           HA2      GLY   4  74.580  30.024 -23.769
   26    HA3  GLY   4           HA1      GLY   4  73.134  31.017 -23.614
   27    H    GLY   5           HN       GLY   5  74.408  31.161 -20.646
   28    HA2  GLY   5           HA2      GLY   5  75.736  33.719 -21.200
   29    HA3  GLY   5           HA1      GLY   5  75.153  33.170 -19.631
   30    H    ASP   6           HN       ASP   6  77.882  33.779 -21.349
   31    HA   ASP   6           HA       ASP   6  79.599  31.627 -20.808
   32    HB2  ASP   6           HB2      ASP   6  79.848  34.067 -22.044
   33    HB3  ASP   6           HB1      ASP   6  80.838  34.280 -20.601
   34    H    PHE   7           HN       PHE   7  77.923  33.439 -18.623
   35    HA   PHE   7           HA       PHE   7  79.820  32.751 -16.476
   36    HB2  PHE   7           HB2      PHE   7  80.028  34.866 -15.713
   37    HB3  PHE   7           HB1      PHE   7  79.477  35.350 -17.317
   38    HD1  PHE   7           HD1      PHE   7  76.979  35.657 -17.714
   39    HD2  PHE   7           HD2      PHE   7  78.692  35.260 -13.795
   40    HE1  PHE   7           HE1      PHE   7  74.928  36.633 -16.718
   41    HE2  PHE   7           HE2      PHE   7  76.641  36.235 -12.798
   42    HZ   PHE   7           HZ       PHE   7  74.759  36.921 -14.260
   43    H    ASP   8           HN       ASP   8  76.562  33.281 -17.594
   44    HA   ASP   8           HA       ASP   8  75.026  33.186 -15.332
   45    HB2  ASP   8           HB2      ASP   8  74.052  33.330 -17.562
   46    HB3  ASP   8           HB1      ASP   8  74.562  31.679 -17.916
   47    H    ASN   9           HN       ASN   9  74.595  31.763 -13.751
   48    HA   ASN   9           HA       ASN   9  76.066  29.240 -13.736
   49    HB2  ASN   9           HB2      ASN   9  75.376  29.116 -11.379
   50    HB3  ASN   9           HB1      ASN   9  76.136  30.666 -11.737
   51   HD21  ASN   9          HD21      ASN   9  74.316  30.339  -9.531
   52   HD22  ASN   9          HD22      ASN   9  72.926  31.255  -9.860
   53    H    TYR  10           HN       TYR  10  72.729  30.417 -13.610
   54    HA   TYR  10           HA       TYR  10  71.790  27.862 -14.639
   55    HB2  TYR  10           HB2      TYR  10  70.806  28.942 -11.987
   56    HB3  TYR  10           HB1      TYR  10  70.122  27.564 -12.850
   57    HD1  TYR  10           HD1      TYR  10  71.728  25.614 -13.432
   58    HD2  TYR  10           HD2      TYR  10  72.608  28.635 -10.508
   59    HE1  TYR  10           HE1      TYR  10  73.426  24.126 -12.408
   60    HE2  TYR  10           HE2      TYR  10  74.307  27.147  -9.483
   61    HH   TYR  10           HH       TYR  10  75.620  24.572 -10.952
   62    H    TYR  11           HN       TYR  11  70.037  30.375 -12.860
   63    HA   TYR  11           HA       TYR  11  68.508  31.954 -13.548
   64    HB2  TYR  11           HB2      TYR  11  70.386  32.244 -15.386
   65    HB3  TYR  11           HB1      TYR  11  69.171  31.503 -16.428
   66    HD1  TYR  11           HD1      TYR  11  66.788  32.511 -16.381
   67    HD2  TYR  11           HD2      TYR  11  70.257  34.533 -14.855
   68    HE1  TYR  11           HE1      TYR  11  65.590  34.678 -16.530
   69    HE2  TYR  11           HE2      TYR  11  69.059  36.699 -15.004
   70    HH   TYR  11           HH       TYR  11  66.806  37.440 -16.699
   71    H    GLY  12           HN       GLY  12  68.598  29.627 -16.256
   72    HA2  GLY  12           HA2      GLY  12  65.726  29.459 -16.343
   73    HA3  GLY  12           HA1      GLY  12  66.859  28.519 -17.310
   74    H    ALA  13           HN       ALA  13  67.010  28.668 -13.813
   75    HA   ALA  13           HA       ALA  13  66.995  25.839 -13.543
   76    HB1  ALA  13           HB1      ALA  13  66.298  27.520 -11.195
   77    HB2  ALA  13           HB2      ALA  13  67.856  27.833 -11.961
   78    HB3  ALA  13           HB3      ALA  13  67.485  26.223 -11.343
   79    H    ASP  14           HN       ASP  14  65.329  25.635 -11.194
   80    HA   ASP  14           HA       ASP  14  63.223  24.803 -10.752
   81    HB2  ASP  14           HB2      ASP  14  61.734  26.503 -10.504
   82    HB3  ASP  14           HB1      ASP  14  63.121  27.500 -10.939
   83    H    ASN  15           HN       ASN  15  64.459  24.428 -13.579
   84    HA   ASN  15           HA       ASN  15  62.017  23.910 -15.118
   85    HB2  ASN  15           HB2      ASN  15  64.117  25.013 -16.097
   86    HB3  ASN  15           HB1      ASN  15  64.848  23.410 -16.026
   87   HD21  ASN  15          HD21      ASN  15  61.564  24.592 -16.978
   88   HD22  ASN  15          HD22      ASN  15  61.553  23.779 -18.468
   89    H    GLN  16           HN       GLN  16  64.726  22.244 -13.600
   90    HA   GLN  16           HA       GLN  16  63.518  19.647 -14.311
   91    HB2  GLN  16           HB2      GLN  16  66.183  19.781 -13.007
   92    HB3  GLN  16           HB1      GLN  16  65.612  18.728 -14.303
   93    HG2  GLN  16           HG2      GLN  16  65.552  20.878 -15.746
   94    HG3  GLN  16           HG1      GLN  16  66.568  21.582 -14.488
   95   HE21  GLN  16          HE21      GLN  16  68.679  21.548 -15.288
   96   HE22  GLN  16          HE22      GLN  16  69.412  20.203 -16.020
   97    H    SER  17           HN       SER  17  62.305  21.219 -12.310
   98    HA   SER  17           HA       SER  17  62.559  19.386 -10.048
   99    HB2  SER  17           HB2      SER  17  63.826  21.880  -9.978
  100    HB3  SER  17           HB1      SER  17  62.342  22.101  -9.057
  101    HG   SER  17           HG       SER  17  63.080  19.887  -8.175
  102    H    GLU  18           HN       GLU  18  60.921  20.581  -8.253
  103    HA   GLU  18           HA       GLU  18  58.376  19.945  -8.971
  104    HB2  GLU  18           HB2      GLU  18  57.753  21.910  -7.301
  105    HB3  GLU  18           HB1      GLU  18  58.538  20.441  -6.725
  106    HG2  GLU  18           HG2      GLU  18  60.606  21.474  -6.481
  107    HG3  GLU  18           HG1      GLU  18  60.241  22.714  -7.680
  108    H    CYS  19           HN       CYS  19  56.995  20.641 -10.461
  109    HA   CYS  19           HA       CYS  19  56.731  23.473 -11.050
  110    HB2  CYS  19           HB2      CYS  19  58.492  22.015 -12.614
  111    HB3  CYS  19           HB1      CYS  19  56.998  21.985 -13.549
  112    HG   CYS  19           HG       CYS  19  57.934  24.748 -12.487
  113    H    GLU  20           HN       GLU  20  55.886  20.224 -12.265
  114    HA   GLU  20           HA       GLU  20  53.045  20.930 -12.005
  115    HB2  GLU  20           HB2      GLU  20  54.321  19.831 -14.522
  116    HB3  GLU  20           HB1      GLU  20  52.583  19.953 -14.245
  117    HG2  GLU  20           HG2      GLU  20  52.900  22.423 -13.853
  118    HG3  GLU  20           HG1      GLU  20  54.575  22.232 -14.367
  119    H    TYR  21           HN       TYR  21  54.827  19.226 -10.463
  120    HA   TYR  21           HA       TYR  21  53.352  16.698 -10.781
  121    HB2  TYR  21           HB2      TYR  21  56.323  16.842 -10.230
  122    HB3  TYR  21           HB1      TYR  21  55.353  15.384 -10.441
  123    HD1  TYR  21           HD2      TYR  21  54.423  14.794 -12.655
  124    HD2  TYR  21           HD1      TYR  21  56.993  18.195 -12.123
  125    HE1  TYR  21           HE2      TYR  21  54.776  14.911 -15.107
  126    HE2  TYR  21           HE1      TYR  21  57.346  18.311 -14.575
  127    HH   TYR  21           HH       TYR  21  57.163  17.027 -16.520
  128    H    THR  22           HN       THR  22  53.192  19.045  -8.955
  129    HA   THR  22           HA       THR  22  52.797  17.628  -6.525
  130    HB   THR  22           HB       THR  22  55.357  17.922  -6.649
  131    HG1  THR  22           HG1      THR  22  53.612  18.575  -4.579
  132   HG21  THR  22          HG21      THR  22  55.000  20.379  -7.406
  133   HG22  THR  22          HG22      THR  22  56.268  20.050  -6.225
  134   HG23  THR  22          HG23      THR  22  54.719  20.707  -5.696
  135    H    ASP  23           HN       ASP  23  53.235  20.681  -8.203
  136    HA   ASP  23           HA       ASP  23  51.908  22.287  -6.233
  137    HB2  ASP  23           HB2      ASP  23  51.766  23.927  -8.195
  138    HB3  ASP  23           HB1      ASP  23  53.380  23.449  -7.673
  139    H    TRP  24           HN       TRP  24  50.321  20.090  -6.611
  140    HA   TRP  24           HA       TRP  24  47.831  21.308  -7.383
  141    HB2  TRP  24           HB2      TRP  24  47.279  19.542  -9.087
  142    HB3  TRP  24           HB1      TRP  24  48.520  20.683  -9.605
  143    HD1  TRP  24           HD1      TRP  24  51.134  19.811  -9.197
  144    HE1  TRP  24           HE1      TRP  24  52.094  17.440  -9.528
  145    HE3  TRP  24           HE3      TRP  24  46.819  17.082  -9.056
  146    HZ2  TRP  24           HZ2      TRP  24  51.156  14.745  -9.709
  147    HZ3  TRP  24           HZ3      TRP  24  46.881  14.618  -9.310
  148    HH2  TRP  24           HH2      TRP  24  49.042  13.447  -9.637
  149    H    LYS  25           HN       LYS  25  49.185  18.006  -7.177
  150    HA   LYS  25           HA       LYS  25  48.458  16.160  -6.004
  151    HB2  LYS  25           HB2      LYS  25  48.143  18.347  -3.938
  152    HB3  LYS  25           HB1      LYS  25  48.046  16.624  -3.573
  153    HG2  LYS  25           HG2      LYS  25  50.416  17.533  -5.129
  154    HG3  LYS  25           HG1      LYS  25  50.358  17.990  -3.427
  155    HD2  LYS  25           HD2      LYS  25  50.175  15.701  -2.728
  156    HD3  LYS  25           HD1      LYS  25  49.906  15.154  -4.384
  157    HE2  LYS  25           HE2      LYS  25  52.133  15.423  -4.982
  158    HE3  LYS  25           HE1      LYS  25  52.420  16.660  -3.758
  159    HZ1  LYS  25           HZ1      LYS  25  51.654  14.145  -2.628
  160    HZ2  LYS  25           HZ2      LYS  25  52.988  15.134  -2.267
  161    HZ3  LYS  25           HZ3      LYS  25  53.072  14.024  -3.552
  162    H    SER  26           HN       SER  26  46.577  16.123  -7.525
  163    HA   SER  26           HA       SER  26  44.155  15.749  -6.057
  164    HB2  SER  26           HB2      SER  26  43.177  17.749  -6.304
  165    HB3  SER  26           HB1      SER  26  44.607  18.359  -7.132
  166    HG   SER  26           HG       SER  26  42.627  16.770  -8.394
  167    H    SER  27           HN       SER  27  43.174  14.086  -7.003
  168    HA   SER  27           HA       SER  27  43.983  13.203  -9.630
  169    HB2  SER  27           HB2      SER  27  42.645  12.068  -7.329
  170    HB3  SER  27           HB1      SER  27  41.765  11.695  -8.808
  171    HG   SER  27           HG       SER  27  44.434  11.474  -9.172
  172    H    GLY  28           HN       GLY  28  41.008  14.458  -8.148
  173    HA2  GLY  28           HA2      GLY  28  40.069  15.208 -10.839
  174    HA3  GLY  28           HA1      GLY  28  38.997  14.311  -9.769
  175    H    ALA  29           HN       ALA  29  40.940  16.241  -7.894
  176    HA   ALA  29           HA       ALA  29  40.711  18.322  -6.910
  177    HB1  ALA  29           HB1      ALA  29  39.897  18.886  -9.395
  178    HB2  ALA  29           HB2      ALA  29  39.739  20.042  -8.072
  179    HB3  ALA  29           HB3      ALA  29  38.352  19.069  -8.565
  180    H    LEU  30           HN       LEU  30  39.506  16.020  -5.882
  181    HA   LEU  30           HA       LEU  30  37.227  17.220  -4.465
  182    HB2  LEU  30           HB2      LEU  30  36.033  15.015  -4.596
  183    HB3  LEU  30           HB1      LEU  30  36.161  15.856  -6.141
  184    HG   LEU  30           HG       LEU  30  38.504  14.240  -5.783
  185   HD11  LEU  30          HD11      LEU  30  35.853  12.817  -5.400
  186   HD12  LEU  30          HD12      LEU  30  37.201  12.856  -4.264
  187   HD13  LEU  30          HD13      LEU  30  37.368  12.006  -5.800
  188   HD21  LEU  30          HD21      LEU  30  36.131  13.903  -7.645
  189   HD22  LEU  30          HD22      LEU  30  37.765  13.294  -7.906
  190   HD23  LEU  30          HD23      LEU  30  37.459  15.030  -7.919
  191    H    ILE  31           HN       ILE  31  40.177  16.321  -4.067
  192    HA   ILE  31           HA       ILE  31  40.001  14.274  -2.054
  193    HB   ILE  31           HB       ILE  31  42.361  16.100  -2.345
  194   HG12  ILE  31          HG12      ILE  31  41.727  15.587  -4.647
  195   HG13  ILE  31          HG11      ILE  31  43.137  14.625  -4.210
  196   HG21  ILE  31          HG21      ILE  31  42.329  14.322  -0.618
  197   HG22  ILE  31          HG22      ILE  31  43.569  14.030  -1.838
  198   HG23  ILE  31          HG23      ILE  31  42.059  13.120  -1.880
  199   HD11  ILE  31          HD11      ILE  31  41.577  13.175  -5.355
  200   HD12  ILE  31          HD12      ILE  31  40.254  13.688  -4.311
  201   HD13  ILE  31          HD13      ILE  31  41.574  12.722  -3.652
  202    HA   PRO  32           HA       PRO  32  40.432  17.951   0.907
  203    HB2  PRO  32           HB2      PRO  32  39.947  20.470   0.001
  204    HB3  PRO  32           HB1      PRO  32  41.535  19.692  -0.120
  205    HG2  PRO  32           HG2      PRO  32  39.565  20.262  -2.216
  206    HG3  PRO  32           HG1      PRO  32  41.310  20.000  -2.342
  207    HD2  PRO  32           HD2      PRO  32  39.216  18.120  -2.902
  208    HD3  PRO  32           HD1      PRO  32  40.967  17.843  -2.973
  209    H    ALA  33           HN       ALA  33  37.923  16.958  -0.792
  210    HA   ALA  33           HA       ALA  33  35.902  18.610   0.593
  211    HB1  ALA  33           HB1      ALA  33  35.485  16.713  -1.726
  212    HB2  ALA  33           HB2      ALA  33  35.767  18.444  -1.908
  213    HB3  ALA  33           HB3      ALA  33  34.324  17.869  -1.073
  214    H    ILE  34           HN       ILE  34  37.202  15.403   0.207
  215    HA   ILE  34           HA       ILE  34  35.177  14.344   2.089
  216    HB   ILE  34           HB       ILE  34  36.610  12.197   0.995
  217   HG12  ILE  34          HG12      ILE  34  35.767  14.161  -1.161
  218   HG13  ILE  34          HG11      ILE  34  37.440  13.807  -0.726
  219   HG21  ILE  34          HG21      ILE  34  33.910  13.343   0.218
  220   HG22  ILE  34          HG22      ILE  34  34.208  12.271   1.585
  221   HG23  ILE  34          HG23      ILE  34  34.443  11.686  -0.061
  222   HD11  ILE  34          HD11      ILE  34  35.733  12.354  -2.502
  223   HD12  ILE  34          HD12      ILE  34  36.105  11.317  -1.124
  224   HD13  ILE  34          HD13      ILE  34  37.412  12.016  -2.082
  225    H    TYR  35           HN       TYR  35  38.543  13.592   1.158
  226    HA   TYR  35           HA       TYR  35  39.319  12.427   3.560
  227    HB2  TYR  35           HB2      TYR  35  41.029  12.094   2.126
  228    HB3  TYR  35           HB1      TYR  35  40.669  13.560   1.216
  229    HD1  TYR  35           HD2      TYR  35  41.504  15.770   2.010
  230    HD2  TYR  35           HD1      TYR  35  42.637  12.091   3.915
  231    HE1  TYR  35           HE2      TYR  35  43.384  16.932   3.137
  232    HE2  TYR  35           HE1      TYR  35  44.517  13.252   5.042
  233    HH   TYR  35           HH       TYR  35  44.831  16.053   5.672
  234    H    MET  36           HN       MET  36  38.520  15.666   2.947
  235    HA   MET  36           HA       MET  36  40.078  16.658   5.237
  236    HB2  MET  36           HB2      MET  36  40.220  18.031   3.248
  237    HB3  MET  36           HB1      MET  36  38.463  18.103   3.126
  238    HG2  MET  36           HG2      MET  36  38.272  19.412   5.104
  239    HG3  MET  36           HG1      MET  36  39.934  19.078   5.579
  240    HE1  MET  36           HE1      MET  36  41.806  19.436   4.256
  241    HE2  MET  36           HE2      MET  36  42.197  21.082   3.765
  242    HE3  MET  36           HE3      MET  36  41.678  19.910   2.557
  243    H    LEU  37           HN       LEU  37  36.788  17.295   4.006
  244    HA   LEU  37           HA       LEU  37  35.629  18.162   6.343
  245    HB2  LEU  37           HB2      LEU  37  34.259  16.379   4.316
  246    HB3  LEU  37           HB1      LEU  37  33.491  17.541   5.398
  247    HG   LEU  37           HG       LEU  37  35.467  18.218   3.196
  248   HD11  LEU  37          HD11      LEU  37  33.693  18.714   1.851
  249   HD12  LEU  37          HD12      LEU  37  32.710  19.298   3.194
  250   HD13  LEU  37          HD13      LEU  37  32.839  17.567   2.884
  251   HD21  LEU  37          HD21      LEU  37  34.466  20.578   3.834
  252   HD22  LEU  37          HD22      LEU  37  35.799  19.904   4.772
  253   HD23  LEU  37          HD23      LEU  37  34.148  19.797   5.383
  254    H    VAL  38           HN       VAL  38  35.904  14.801   5.206
  255    HA   VAL  38           HA       VAL  38  34.518  13.479   7.190
  256    HB   VAL  38           HB       VAL  38  37.076  12.687   5.784
  257   HG11  VAL  38          HG11      VAL  38  35.368  11.274   7.801
  258   HG12  VAL  38          HG12      VAL  38  37.118  11.223   7.584
  259   HG13  VAL  38          HG13      VAL  38  36.066  10.336   6.482
  260   HG21  VAL  38          HG21      VAL  38  34.689  13.081   4.658
  261   HG22  VAL  38          HG22      VAL  38  34.380  11.473   5.312
  262   HG23  VAL  38          HG23      VAL  38  35.709  11.725   4.179
  263    H    PHE  39           HN       PHE  39  37.685  14.975   7.348
  264    HA   PHE  39           HA       PHE  39  38.524  13.805   9.800
  265    HB2  PHE  39           HB2      PHE  39  39.808  15.245   7.958
  266    HB3  PHE  39           HB1      PHE  39  39.411  16.555   9.069
  267    HD1  PHE  39           HD1      PHE  39  39.831  15.997  11.637
  268    HD2  PHE  39           HD2      PHE  39  41.764  14.025   8.346
  269    HE1  PHE  39           HE1      PHE  39  41.670  15.289  13.142
  270    HE2  PHE  39           HE2      PHE  39  43.603  13.317   9.851
  271    HZ   PHE  39           HZ       PHE  39  43.557  13.950  12.248
  272    H    LEU  40           HN       LEU  40  36.844  16.830   9.002
  273    HA   LEU  40           HA       LEU  40  36.548  17.472  11.840
  274    HB2  LEU  40           HB2      LEU  40  35.341  19.041   9.576
  275    HB3  LEU  40           HB1      LEU  40  35.875  19.610  11.158
  276    HG   LEU  40           HG       LEU  40  37.651  18.641   8.898
  277   HD11  LEU  40          HD11      LEU  40  38.183  21.268  10.016
  278   HD12  LEU  40          HD12      LEU  40  36.524  21.157   9.429
  279   HD13  LEU  40          HD13      LEU  40  37.870  20.814   8.341
  280   HD21  LEU  40          HD21      LEU  40  38.191  19.326  11.787
  281   HD22  LEU  40          HD22      LEU  40  39.445  19.524  10.562
  282   HD23  LEU  40          HD23      LEU  40  38.749  17.931  10.864
  283    H    LEU  41           HN       LEU  41  35.137  15.236  10.197
  284    HA   LEU  41           HA       LEU  41  32.562  15.586  11.510
  285    HB2  LEU  41           HB2      LEU  41  32.927  16.037   8.665
  286    HB3  LEU  41           HB1      LEU  41  31.804  14.713   8.964
  287    HG   LEU  41           HG       LEU  41  31.615  17.396  10.357
  288   HD11  LEU  41          HD11      LEU  41  29.880  17.983   8.772
  289   HD12  LEU  41          HD12      LEU  41  30.000  16.408   7.989
  290   HD13  LEU  41          HD13      LEU  41  31.329  17.559   7.861
  291   HD21  LEU  41          HD21      LEU  41  30.422  14.895  10.846
  292   HD22  LEU  41          HD22      LEU  41  29.182  15.842  10.024
  293   HD23  LEU  41          HD23      LEU  41  29.917  16.449  11.507
  294    H    GLY  42           HN       GLY  42  35.074  13.763  11.221
  295    HA2  GLY  42           HA2      GLY  42  33.536  11.247  11.289
  296    HA3  GLY  42           HA1      GLY  42  34.995  11.348  10.308
  297    H    THR  43           HN       THR  43  34.895  13.149  13.253
  298    HA   THR  43           HA       THR  43  35.829  11.207  15.072
  299    HB   THR  43           HB       THR  43  37.914  12.623  13.439
  300    HG1  THR  43           HG1      THR  43  38.583  10.626  13.145
  301   HG21  THR  43          HG21      THR  43  38.032  11.854  16.346
  302   HG22  THR  43          HG22      THR  43  38.613  13.326  15.568
  303   HG23  THR  43          HG23      THR  43  39.485  11.809  15.347
  304    H    THR  44           HN       THR  44  36.766  14.539  14.178
  305    HA   THR  44           HA       THR  44  36.924  15.574  16.759
  306    HB   THR  44           HB       THR  44  36.345  16.803  14.080
  307    HG1  THR  44           HG1      THR  44  38.475  16.105  15.006
  308   HG21  THR  44          HG21      THR  44  36.670  19.020  15.405
  309   HG22  THR  44          HG22      THR  44  36.146  18.076  16.799
  310   HG23  THR  44          HG23      THR  44  35.076  18.264  15.409
  311    H    GLY  45           HN       GLY  45  34.134  15.022  14.705
  312    HA2  GLY  45           HA2      GLY  45  32.178  16.579  15.839
  313    HA3  GLY  45           HA1      GLY  45  31.887  14.950  15.236
  314    H    ASN  46           HN       ASN  46  32.817  13.209  16.845
  315    HA   ASN  46           HA       ASN  46  32.206  12.115  18.791
  316    HB2  ASN  46           HB2      ASN  46  34.212  14.084  19.220
  317    HB3  ASN  46           HB1      ASN  46  33.184  14.047  20.651
  318   HD21  ASN  46          HD21      ASN  46  34.605  11.614  18.379
  319   HD22  ASN  46          HD22      ASN  46  35.090  10.548  19.608
  320    H    GLY  47           HN       GLY  47  29.987  12.134  18.898
  321    HA2  GLY  47           HA2      GLY  47  28.475  12.811  20.879
  322    HA3  GLY  47           HA1      GLY  47  28.691  14.430  20.220
  323    H    LEU  48           HN       LEU  48  28.813  12.856  17.501
  324    HA   LEU  48           HA       LEU  48  25.994  13.242  16.914
  325    HB2  LEU  48           HB2      LEU  48  28.448  12.667  15.272
  326    HB3  LEU  48           HB1      LEU  48  26.844  12.502  14.566
  327    HG   LEU  48           HG       LEU  48  27.908  14.776  14.237
  328   HD11  LEU  48          HD11      LEU  48  25.816  15.612  14.114
  329   HD12  LEU  48          HD12      LEU  48  25.620  15.542  15.863
  330   HD13  LEU  48          HD13      LEU  48  25.253  14.127  14.880
  331   HD21  LEU  48          HD21      LEU  48  28.922  14.718  16.590
  332   HD22  LEU  48          HD22      LEU  48  27.319  15.162  17.177
  333   HD23  LEU  48          HD23      LEU  48  28.192  16.244  16.093
  334    H    VAL  49           HN       VAL  49  27.885  10.720  18.030
  335    HA   VAL  49           HA       VAL  49  26.248   8.646  16.731
  336    HB   VAL  49           HB       VAL  49  27.898   7.076  17.777
  337   HG11  VAL  49          HG11      VAL  49  28.434   9.115  15.719
  338   HG12  VAL  49          HG12      VAL  49  28.642   7.364  15.650
  339   HG13  VAL  49          HG13      VAL  49  29.887   8.372  16.388
  340   HG21  VAL  49          HG21      VAL  49  29.944   9.058  18.248
  341   HG22  VAL  49          HG22      VAL  49  29.335   7.821  19.347
  342   HG23  VAL  49          HG23      VAL  49  28.545   9.396  19.267
  343    H    LEU  50           HN       LEU  50  26.187  10.541  19.442
  344    HA   LEU  50           HA       LEU  50  24.541   8.561  20.880
  345    HB2  LEU  50           HB2      LEU  50  25.490   9.280  23.016
  346    HB3  LEU  50           HB1      LEU  50  26.763   8.658  21.964
  347    HG   LEU  50           HG       LEU  50  26.667  11.339  21.286
  348   HD11  LEU  50          HD11      LEU  50  26.342  11.061  24.291
  349   HD12  LEU  50          HD12      LEU  50  25.159  11.779  23.197
  350   HD13  LEU  50          HD13      LEU  50  26.727  12.552  23.432
  351   HD21  LEU  50          HD21      LEU  50  28.753  11.445  22.769
  352   HD22  LEU  50          HD22      LEU  50  28.735  10.169  21.551
  353   HD23  LEU  50          HD23      LEU  50  28.383   9.785  23.236
  354    H    TRP  51           HN       TRP  51  24.646  11.451  19.361
  355    HA   TRP  51           HA       TRP  51  23.058  13.003  21.230
  356    HB2  TRP  51           HB2      TRP  51  24.393  14.405  19.949
  357    HB3  TRP  51           HB1      TRP  51  24.169  13.449  18.483
  358    HD1  TRP  51           HD1      TRP  51  21.829  15.400  20.885
  359    HE1  TRP  51           HE1      TRP  51  20.126  16.700  19.451
  360    HE3  TRP  51           HE3      TRP  51  23.331  13.972  16.218
  361    HZ2  TRP  51           HZ2      TRP  51  19.485  17.085  16.691
  362    HZ3  TRP  51           HZ3      TRP  51  22.158  14.820  14.206
  363    HH2  TRP  51           HH2      TRP  51  20.238  16.372  14.437
  364    H    THR  52           HN       THR  52  22.410  12.309  17.805
  365    HA   THR  52           HA       THR  52  19.682  12.617  17.836
  366    HB   THR  52           HB       THR  52  20.412  12.286  15.692
  367    HG1  THR  52           HG1      THR  52  18.760  10.693  16.205
  368   HG21  THR  52          HG21      THR  52  22.289  10.314  16.960
  369   HG22  THR  52          HG22      THR  52  22.662  11.732  15.980
  370   HG23  THR  52          HG23      THR  52  22.024  10.275  15.217
  371    H    VAL  53           HN       VAL  53  21.496   9.626  18.485
  372    HA   VAL  53           HA       VAL  53  19.350   7.893  18.865
  373    HB   VAL  53           HB       VAL  53  22.045   7.950  20.240
  374   HG11  VAL  53          HG11      VAL  53  19.726   6.076  20.383
  375   HG12  VAL  53          HG12      VAL  53  20.922   6.477  21.615
  376   HG13  VAL  53          HG13      VAL  53  21.339   5.368  20.309
  377   HG21  VAL  53          HG21      VAL  53  21.463   7.578  17.588
  378   HG22  VAL  53          HG22      VAL  53  21.379   5.924  18.194
  379   HG23  VAL  53          HG23      VAL  53  22.855   6.866  18.405
  380    H    PHE  54           HN       PHE  54  20.469  10.497  20.837
  381    HA   PHE  54           HA       PHE  54  19.125   9.566  23.241
  382    HB2  PHE  54           HB2      PHE  54  21.196  11.383  22.694
  383    HB3  PHE  54           HB1      PHE  54  19.854  12.363  23.286
  384    HD1  PHE  54           HD2      PHE  54  18.732  11.722  25.471
  385    HD2  PHE  54           HD1      PHE  54  22.434   9.983  24.161
  386    HE1  PHE  54           HE2      PHE  54  19.189  10.954  27.784
  387    HE2  PHE  54           HE1      PHE  54  22.892   9.216  26.474
  388    HZ   PHE  54           HZ       PHE  54  21.270   9.702  28.286
  389    H    ARG  55           HN       ARG  55  17.724  10.236  20.598
  390    HA   ARG  55           HA       ARG  55  15.623  11.909  21.816
  391    HB2  ARG  55           HB2      ARG  55  16.889  12.248  19.100
  392    HB3  ARG  55           HB1      ARG  55  15.286  12.881  19.473
  393    HG2  ARG  55           HG2      ARG  55  16.117  14.561  20.753
  394    HG3  ARG  55           HG1      ARG  55  17.316  13.510  21.510
  395    HD2  ARG  55           HD2      ARG  55  18.837  13.763  19.703
  396    HD3  ARG  55           HD1      ARG  55  17.597  14.440  18.651
  397    HE   ARG  55           HE       ARG  55  17.974  16.515  19.627
  398   HH11  ARG  55          HH21      ARG  55  19.352  13.969  21.523
  399   HH12  ARG  55          HH22      ARG  55  20.186  15.037  22.602
  400   HH21  ARG  55          HH11      ARG  55  19.065  17.922  21.039
  401   HH22  ARG  55          HH12      ARG  55  20.023  17.274  22.329
  402    H    LYS  56           HN       LYS  56  16.575   9.424  19.533
  403    HA   LYS  56           HA       LYS  56  13.751   8.749  19.046
  404    HB2  LYS  56           HB2      LYS  56  14.677   7.260  17.270
  405    HB3  LYS  56           HB1      LYS  56  15.083   8.957  17.035
  406    HG2  LYS  56           HG2      LYS  56  17.094   7.838  18.678
  407    HG3  LYS  56           HG1      LYS  56  16.855   6.728  17.329
  408    HD2  LYS  56           HD2      LYS  56  17.298   9.718  17.059
  409    HD3  LYS  56           HD1      LYS  56  18.530   8.486  16.784
  410    HE2  LYS  56           HE2      LYS  56  16.266   7.704  15.273
  411    HE3  LYS  56           HE1      LYS  56  16.500   9.426  14.972
  412    HZ1  LYS  56           HZ1      LYS  56  18.381   7.200  14.512
  413    HZ2  LYS  56           HZ2      LYS  56  18.946   8.792  14.690
  414    HZ3  LYS  56           HZ3      LYS  56  17.874   8.404  13.432
  415    H    LYS  57           HN       LYS  57  15.775   8.126  21.397
  416    HA   LYS  57           HA       LYS  57  16.102   5.340  21.519
  417    HB2  LYS  57           HB2      LYS  57  17.238   6.991  23.008
  418    HB3  LYS  57           HB1      LYS  57  15.702   7.260  23.825
  419    HG2  LYS  57           HG2      LYS  57  17.023   5.648  25.095
  420    HG3  LYS  57           HG1      LYS  57  15.615   4.842  24.410
  421    HD2  LYS  57           HD2      LYS  57  16.871   3.580  22.962
  422    HD3  LYS  57           HD1      LYS  57  18.081   4.843  22.741
  423    HE2  LYS  57           HE2      LYS  57  17.798   3.383  25.366
  424    HE3  LYS  57           HE1      LYS  57  18.797   2.745  24.060
  425    HZ1  LYS  57           HZ1      LYS  57  19.086   5.360  25.429
  426    HZ2  LYS  57           HZ2      LYS  57  19.939   4.935  24.022
  427    HZ3  LYS  57           HZ3      LYS  57  20.173   4.059  25.459
  428    H    GLY  58           HN       GLY  58  13.457   7.441  22.587
  429    HA2  GLY  58           HA2      GLY  58  11.254   6.978  23.073
  430    HA3  GLY  58           HA1      GLY  58  11.480   5.438  22.249
  431    H    HIS  59           HN       HIS  59  13.410   6.464  24.995
  432    HA   HIS  59           HA       HIS  59  13.603   5.655  27.137
  433    HB2  HIS  59           HB2      HIS  59  10.897   4.389  26.993
  434    HB3  HIS  59           HB1      HIS  59  11.666   5.243  28.331
  435    HD2  HIS  59           HD2      HIS  59  12.353   7.999  26.418
  436    HE1  HIS  59           HE1      HIS  59   8.140   8.231  26.245
  437    HE2  HIS  59           HE2      HIS  59  10.298   9.524  25.893
  438    H    HIS  60           HN       HIS  60  12.501   3.272  28.236
  439    HA   HIS  60           HA       HIS  60  14.351   1.358  27.656
  440    HB2  HIS  60           HB2      HIS  60  12.314   1.423  29.366
  441    HB3  HIS  60           HB1      HIS  60  11.571   0.391  28.144
  442    HD2  HIS  60           HD2      HIS  60  12.432  -2.248  28.227
  443    HE1  HIS  60           HE1      HIS  60  15.745  -1.687  30.782
  444    HE2  HIS  60           HE2      HIS  60  14.342  -3.420  29.568
  445    H    HIS  61           HN       HIS  61  14.930   0.586  25.729
  446    HA   HIS  61           HA       HIS  61  13.235   0.501  23.454
  447    HB2  HIS  61           HB2      HIS  61  15.716   0.624  23.343
  448    HB3  HIS  61           HB1      HIS  61  15.799  -1.033  23.940
  449    HD2  HIS  61           HD2      HIS  61  13.284   0.194  21.123
  450    HE1  HIS  61           HE1      HIS  61  15.823  -2.763  19.501
  451    HE2  HIS  61           HE2      HIS  61  13.812  -1.283  19.036
  452    H    HIS  62           HN       HIS  62  11.485  -0.766  23.371
  453    HA   HIS  62           HA       HIS  62  11.213  -3.208  24.817
  454    HB2  HIS  62           HB2      HIS  62   9.069  -3.352  23.867
  455    HB3  HIS  62           HB1      HIS  62   9.367  -1.617  23.955
  456    HD2  HIS  62           HD2      HIS  62  11.108  -1.181  21.221
  457    HE1  HIS  62           HE1      HIS  62   7.921  -3.129  19.254
  458    HE2  HIS  62           HE2      HIS  62   9.954  -1.643  18.925
  459    H    HIS  63           HN       HIS  63  10.896  -5.334  23.888
  460    HA   HIS  63           HA       HIS  63  11.845  -5.855  21.205
  461    HB2  HIS  63           HB2      HIS  63  13.897  -5.575  22.791
  462    HB3  HIS  63           HB1      HIS  63  13.424  -7.162  23.401
  463    HD2  HIS  63           HD2      HIS  63  13.986  -5.724  19.709
  464    HE1  HIS  63           HE1      HIS  63  15.495  -9.660  19.939
  465    HE2  HIS  63           HE2      HIS  63  15.179  -7.652  18.416
  466    H    HIS  64           HN       HIS  64   9.402  -6.423  21.969
  467    HA   HIS  64           HA       HIS  64   8.780  -8.690  23.406
  468    HB2  HIS  64           HB2      HIS  64   7.536  -7.772  20.802
  469    HB3  HIS  64           HB1      HIS  64   6.805  -8.907  21.939
  470    HD2  HIS  64           HD2      HIS  64   5.557  -7.713  24.143
  471    HE1  HIS  64           HE1      HIS  64   6.731  -3.742  23.322
  472    HE2  HIS  64           HE2      HIS  64   5.290  -5.205  24.815