*HEADER    MEMBRANE PROTEIN                        27-JAN-12   2LOW              
*TITLE     SOLUTION STRUCTURE OF AR55 IN 50% HFIP                                
*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 2LOW    0                                                


!!15N NOEs from NOESY-15N HSQC.

assign   (resid     49 and name    HN)         (resid     49 and name    HB)   2.300   0.500   0.500
assign   (resid     53 and name    HN)         (resid     52 and name  HG2*)   3.400   1.600   1.600
assign   ((resid     49 and name    HN)   or   (resid     48 and name    HN))
         (resid     47 and name    HN)
          2.900   1.100   1.100
assign   (resid      8 and name    HN)         (resid      8 and name   HB*)   2.300   0.500   0.500
assign   (resid      7 and name    HN)         (resid      6 and name    HN)   2.300   0.500   0.500
assign   (resid     54 and name    HN)         
((resid     55 and name   HB*)   or   (resid     50 and name   HB*))
   3.400   1.600   1.600
assign   (resid     58 and name    HN)         (resid     58 and name   HA*)   2.300   0.500   0.500
assign   (resid     21 and name    HN)         (resid     20 and name   HG*)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     32 and name   HD*)   2.900   1.100   1.100
assign   ((resid     53 and name    HB)   or   (resid     49 and name    HB))
         (resid     51 and name    HN)
          3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     31 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     35 and name   HB*)   2.300   0.500   0.500
assign (resid   55 and name HH**) (resid   52 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 3. (67 viol avg 0.633)
assign   (resid     33 and name    HN)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name    HN)         (resid     53 and name  HG**)   3.900   2.100   2.100
assign   (resid     58 and name   HA*)         (resid     60 and name    HN)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     24 and name   HE3)   3.900   2.100   2.100
assign   (resid     62 and name    HN)         (resid     62 and name   HD2)   3.900   2.100   2.100
assign ((resid   55 and name HB*) or (resid   48 and name HG))
(resid   51 and name HE1)  
3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign   (resid     31 and name    HN)         (resid     27 and name   HB*)   3.400   1.600   1.600
assign   ((resid     49 and name    HG**)   or   (resid     53 and name  HG**))
         (resid     52 and name    HN)
   3.400   1.600   1.600
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name    HN)         (resid     47 and name   HA*)   2.300   0.500   0.500
assign   (resid     22 and name    HN)         (resid     21 and name   HB*)   2.300   0.500   0.500
assign   (resid     58 and name   HA*)         (resid     61 and name    HN)   3.400   1.600   1.600
assign (resid   46 and name HN) (resid   45 and name HA*)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (43 viol avg 0.049)
assign   (resid     54 and name    HN)         (resid     54 and name   HD*)   3.400   1.600   1.600
assign   (resid     30 and name    HN)         
((resid     34 and name  HG1*)   or   (resid     31 and name  HG1*))
   3.400   1.600   1.600
assign   (resid      2 and name    HN)         (resid      2 and name    HA)   2.900   1.100   1.100
assign (resid   26 and name HN) (resid   26 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (38 viol avg 0.094)
assign (resid   16 and name HN) (resid   16 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (73 viol avg 0.092)
assign   (resid     50 and name   HB*)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name    HN)         
((resid     19 and name   HB*)   or   (resid     23 and name   HB*))
   3.400   1.600   1.600
assign   (resid     19 and name    HN)         (resid     18 and name   HG*)   3.400   1.600   1.600
assign   (resid     42 and name    HN)         
((resid     38 and name  HG**)   or   (resid     43 and name  HG2*))
   3.900   2.100   2.100
assign   (resid     37 and name    HN)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid      4 and name    HN)         (resid      4 and name   HA*)   2.900   1.100   1.100
assign   (resid     57 and name    HN)         (resid     55 and name    HA)   3.400   1.600   1.600
assign   (resid     36 and name    HN)         (resid     39 and name   HB*)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         (resid     40 and name    HG)   2.300   0.500   0.500
assign   (resid     51 and name    HN)         (resid     50 and name    HN)   2.900   1.100   1.100
assign (resid   43 and name HN) (resid   43 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (53 viol avg 0.118)
assign   (resid     53 and name  HG**)         (resid     57 and name    HN)   3.900   2.100   2.100
assign   (resid     43 and name    HN)         (resid     39 and name    HA)   2.900   1.100   1.100
assign (resid   35 and name HN) (resid   36 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (27 viol avg 0.062)
assign (resid   62 and name HN) (resid   64 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (53 viol avg 0.060)
assign   (resid     54 and name    HN)         (resid     51 and name    HN)   3.400   1.600   1.600
assign   (resid     55 and name    HN)         (resid     54 and name   HD*)   3.900   2.100   2.100
assign   (resid     16 and name  HE2*)         (resid     16 and name   HG*)   3.400   1.600   1.600
assign   (resid     26 and name    HN)         (resid     26 and name   HB*)   2.300   0.500   0.500
assign   (resid     60 and name    HN)         (resid     60 and name   HB*)   2.300   0.500   0.500
assign   (resid     52 and name    HB)         (resid     52 and name    HN)   2.300   0.500   0.500
assign   (resid     55 and name    HE)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid      7 and name    HN)         (resid      7 and name   HD*)   3.900   2.100   2.100
assign   (resid     20 and name    HN)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   3.400   1.600   1.600
assign   (resid     58 and name    HN)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     60 and name    HN)         (resid     60 and name   HD2)   3.400   1.600   1.600
assign   (resid     35 and name    HN)         (resid     35 and name   HD*)   3.400   1.600   1.600
assign   (resid     22 and name    HN)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         
((resid     56 and name   HD*)   or   (resid     57 and name   HD*))
   3.400   1.600   1.600
assign   (resid     58 and name    HN)         (resid     58 and name   HA*)   2.300   0.500   0.500
assign   (resid     46 and name    HN)         (resid     44 and name  HG2*)   3.900   2.100   2.100
assign   (resid     29 and name    HN)         (resid     30 and name    HG)   2.900   1.100   1.100
assign (resid   51 and name HE1) 
 ((resid   47 and name HA*)  or (resid   52 and name HA))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   46 and name HN) (resid   46 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (50 viol avg 0.092)
assign   (resid     53 and name    HN)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     52 and name    HN)   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     16 and name    HN)         (resid     13 and name   HB*)   3.900   2.100   2.100
assign   (resid     55 and name    HE)         (resid     51 and name   HB*)   3.900   2.100   2.100
assign   (resid     49 and name    HB)         (resid     46 and name    HN)   3.400   1.600   1.600
assign   (resid     49 and name    HB)         (resid     47 and name    HN)   3.900   2.100   2.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.300   0.500   0.500
assign   (resid     54 and name    HN)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid      4 and name   HA*)         (resid      5 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   (resid     23 and name    HN)         (resid     22 and name  HG2*)   3.400   1.600   1.600
assign   (resid     54 and name    HN)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     60 and name    HN)         (resid     60 and name   HB*)   2.900   1.100   1.100
assign   ((resid     49 and name    HN)   or   (resid     48 and name    HN))
         (resid     51 and name   HB*)   
  2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     54 and name    HN)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign (resid   41 and name HN) (resid   41 and name HG)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (65 viol avg 0.121)
assign   (resid     35 and name    HN)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid     44 and name    HN)         (resid     45 and name    HN)   2.900   1.100   1.100
assign   ((resid     20 and name   HG*)   or   (resid     16 and name   HG*))
         (resid     20 and name    HN)   
  2.900   1.100   1.100
assign (resid   14 and name HN) (resid   14 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (70 viol avg 0.089)
assign   (resid     28 and name    HN)         
((resid     30 and name  HD**)   or   (resid     31 and name  HD1*))
   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     38 and name    HN)   3.900   2.100   2.100
assign   (resid     64 and name    HN)         (resid     63 and name    HA)   2.300   0.500   0.500
!assign (resid   28 and name HN) 
!((resid   31 and name HA) or (resid   33 and name HA) or (resid   35 and name HA))
!        3.900 2.100 2.100 ! could be commented out due to major violation after round 4
assign   (resid     26 and name    HN)         (resid     23 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name  HD**)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     25 and name    HN)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     20 and name    HN)   2.900   1.100   1.100
assign   (resid     45 and name    HN)         (resid     46 and name   HB*)   3.400   1.600   1.600
assign   (resid     51 and name    HN)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.300   0.500   0.500
assign (resid   18 and name HN) (resid   17 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (99 viol avg 0.629)
assign   (resid      3 and name    HN)         (resid      3 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     23 and name    HA)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     40 and name    HN)         (resid     39 and name   HB*)   2.900   1.100   1.100
!assign (resid   46 and name HA) (resid   44 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (84 viol avg 0.086)
assign   (resid     31 and name    HN)         (resid     31 and name  HG1*)   2.300   0.500   0.500
assign   (resid     26 and name    HN)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid     61 and name    HN)         (resid     64 and name    HA)   2.900   1.100   1.100
assign   (resid      9 and name    HN)         
((resid      8 and name    HA)   or   (resid      9 and name    HA))
   2.300   0.500   0.500
assign   (resid     38 and name    HN)         (resid     37 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name    HN)   2.300   0.500   0.500
assign   (resid     54 and name    HN)         (resid     58 and name    HN)   3.900   2.100   2.100
assign (resid   30 and name HN) 
 ((resid   27 and name HN) or (resid   28 and name HN))
  3.400 1.600 1.600 ! incr to 6.0 after round 11. (43 viol avg 0.193)
assign   (resid     24 and name   HE1)         (resid     24 and name   HD1)   2.300   0.500   0.500
assign   (resid     28 and name    HN)         (resid     28 and name   HA*)   2.300   0.500   0.500
assign   (resid     46 and name  HD2*)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign (resid   60 and name HN) (resid   60 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (37 viol avg 0.063)
assign   (resid     52 and name    HN)         (resid     48 and name    HG)   3.400   1.600   1.600
assign   (resid      4 and name    HN)         (resid      3 and name   HB*)   3.400   1.600   1.600
assign   (resid     54 and name    HN)         
((resid     58 and name   HA*)   or   (resid     52 and name    HA))
   3.400   1.600   1.600
assign   (resid     16 and name    HN)         (resid     16 and name   HG*)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     52 and name    HA)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign (resid   20 and name HN) (resid   17 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (52 viol avg 0.084)
assign   (resid     21 and name    HN)         (resid     22 and name    HN)   2.300   0.500   0.500
assign   (resid     47 and name    HN)         (resid     48 and name    HN)   2.300   0.500   0.500
assign   (resid     40 and name    HN)         (resid     37 and name    HN)   3.400   1.600   1.600
assign   (resid     51 and name    HN)         (resid     51 and name   HB*)   2.300   0.500   0.500
assign   (resid     25 and name    HN)         (resid     25 and name   HG*)   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     44 and name  HG2*)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     56 and name    HN)   3.900   2.100   2.100
assign   (resid     21 and name    HN)         (resid     20 and name    HA)   2.900   1.100   1.100
assign (resid   29 and name HN) (resid   28 and name HA*)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (95 viol avg 0.112)
assign   (resid     43 and name  HG2*)         (resid     43 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)   2.300   0.500   0.500
assign   (resid     31 and name    HN)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     36 and name   HB*)   3.400   1.600   1.600
assign   (resid     49 and name    HN)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     35 and name    HN)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     46 and name    HN)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign (resid   16 and name HA) (resid   17 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 4. (89 viol avg 0.470)
assign   (resid     40 and name    HN)         (resid     40 and name   HB*)   2.300   0.500   0.500
assign   (resid     52 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
assign   (resid     46 and name    HA)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   (resid     51 and name    HN)         (resid     53 and name  HG**)   3.900   2.100   2.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.300   0.500   0.500
assign   (resid     28 and name    HN)         (resid     27 and name    HA)   2.900   1.100   1.100
assign   (resid      4 and name    HN)         (resid      4 and name   HA*)   2.900   1.100   1.100
assign   (resid     14 and name    HN)         (resid     13 and name    HN)   2.900   1.100   1.100
assign (resid   55 and name HN) (resid   51 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (59 viol avg 0.120)
assign   (resid     41 and name    HN)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     52 and name    HN)         (resid     48 and name  HD**)   3.900   2.100   2.100
assign   (resid     15 and name  HD2*)         (resid     15 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     57 and name    HN)         (resid     53 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    HA)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     44 and name    HN)   3.400   1.600   1.600
assign   (resid     43 and name    HA)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     50 and name  HD**)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign (resid   22 and name HN) (resid   23 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (37 viol avg 0.059)
assign   (resid     33 and name    HN)         (resid     32 and name   HD*)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         (resid     55 and name   HG*)   3.400   1.600   1.600
assign   (resid     35 and name    HN)         (resid     36 and name   HB*)   3.400   1.600   1.600
assign   (resid     57 and name    HN)         (resid     59 and name    HN)   3.400   1.600   1.600
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     13 and name    HN)         (resid     13 and name    HA)   2.900   1.100   1.100
!assign (resid   51 and name HE1) (resid   48 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign   (resid     47 and name    HN)         (resid     50 and name   HB*)   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     40 and name    HN)         (resid     39 and name   HD*)   3.400   1.600   1.600
assign (resid   36 and name HN) 
 ((resid   32 and name HB*) or (resid   37 and name HB*))
  3.400 1.600 1.600 ! incr to 5.0 after round 4. (56 viol avg 0.701)
assign   (resid     37 and name    HN)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   ((resid     14 and name    HA)   or   (resid     15 and name    HA))
         (resid     18 and name    HN)
   2.900   1.100   1.100
assign (resid   8 and name HN) (resid   8 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 11. (42 viol avg 0.077)
assign   (resid     61 and name    HN)         
((resid     60 and name    HA)   or   (resid     61 and name    HA))
   2.300   0.500   0.500
assign   (resid     47 and name    HN)         (resid     43 and name    HA)   2.900   1.100   1.100
assign   (resid     17 and name    HN)         (resid     16 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HA)         (resid     36 and name    HN)   3.400   1.600   1.600
assign   (resid     30 and name    HG)         (resid     28 and name    HN)   3.400   1.600   1.600
assign   (resid     16 and name   HG*)         (resid     15 and name    HN)   3.400   1.600   1.600
assign   (resid     64 and name    HA)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name  HD2*)         (resid     42 and name   HA*)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     38 and name    HN)   2.900   1.100   1.100
assign (resid   17 and name HN) (resid   14 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 11. (59 viol avg 0.088)
assign   (resid     45 and name    HN)         (resid     48 and name  HD**)   3.900   2.100   2.100
assign   (resid     32 and name   HD*)         (resid     30 and name    HN)   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     23 and name    HN)         (resid     22 and name    HB)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     38 and name    HN)   3.400   1.600   1.600
assign   (resid     16 and name    HN)         (resid     15 and name   HB*)   2.900   1.100   1.100
assign (resid   43 and name HN) (resid   42 and name HA*)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (56 viol avg 0.118)
assign   (resid     51 and name    HN)         
((resid     52 and name    HA)   or   (resid     47 and name   HA*))
   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     18 and name    HN)         (resid     14 and name   HB*)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     50 and name   HB*)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     57 and name    HN)   3.900   2.100   2.100
assign   (resid     35 and name   HB*)         (resid     37 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     46 and name    HN)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         (resid     43 and name    HN)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign ((resid   48 and name HN) or (resid   49 and name HN))
(resid   51 and name HN)  
3.400 1.600 1.600 ! incr to 5.0 after round 5. (73 viol avg 0.457)
assign   (resid     21 and name    HN)         
((resid     19 and name    HA)   or   (resid     18 and name    HA))
   2.900   1.100   1.100
assign (resid   39 and name HN) (resid   35 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 11. (58 viol avg 0.075)
assign   (resid     22 and name    HN)         (resid     21 and name   HD*)   3.400   1.600   1.600
assign   (resid     56 and name    HN)         (resid     53 and name    HA)   3.400   1.600   1.600
assign (resid   55 and name HN) (resid   55 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 11. (79 viol avg 0.103)
assign   (resid     42 and name    HN)         (resid     45 and name    HN)   3.900   2.100   2.100
assign   (resid     53 and name    HN)         (resid     53 and name    HA)   2.300   0.500   0.500
assign (resid   26 and name HN) (resid   29 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (29 viol avg 0.120)
assign   (resid     58 and name    HN)         (resid     53 and name  HG**)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     38 and name  HG**)   3.900   2.100   2.100
assign   (resid     43 and name    HN)         (resid     44 and name  HG2*)   3.900   2.100   2.100
assign   (resid     55 and name    HA)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     54 and name   HB*)   2.300   0.500   0.500
assign   (resid     42 and name    HN)         (resid     41 and name    HA)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     50 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid      7 and name    HN)         (resid      5 and name   HA*)   3.400   1.600   1.600
assign   (resid     14 and name    HN)         (resid     10 and name    HA)   3.400   1.600   1.600
assign   (resid     36 and name    HN)         (resid     38 and name    HN)   3.400   1.600   1.600
assign   (resid     35 and name    HN)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     30 and name  HD**)         (resid     27 and name    HN)   3.900   2.100   2.100
assign   (resid     13 and name    HN)         (resid     12 and name   HA*)   2.300   0.500   0.500
assign   (resid     21 and name    HN)         (resid     20 and name    HN)   2.300   0.500   0.500
assign   (resid     52 and name    HN)         (resid     48 and name    HA)   2.900   1.100   1.100
assign (resid   30 and name HN) (resid   29 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (71 viol avg 0.360)
assign   (resid     34 and name  HG1*)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name    HB)   2.300   0.500   0.500
assign   ((resid     49 and name    HG**)   or   (resid     53 and name  HG**))
         (resid     50 and name    HN)
   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     31 and name    HN)   2.900   1.100   1.100
assign   (resid     49 and name    HN)         (resid     46 and name    HA)   2.900   1.100   1.100
assign   (resid     10 and name    HN)         (resid     10 and name   HB*)   2.300   0.500   0.500
assign   (resid      7 and name    HN)         (resid      6 and name   HB*)   2.900   1.100   1.100
assign   (resid     16 and name   HG*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name    HN)         (resid     14 and name    HN)   2.900   1.100   1.100
assign (resid   31 and name HN) (resid   30 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (96 viol avg 0.483)
assign (resid   51 and name HN) (resid   51 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (97 viol avg 0.070)
assign   ((resid     53 and name    HN)   or   (resid     57 and name    HN))
         (resid     55 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 ! incr to 4.0 after round 12. (29 viol avg 0.118)
assign   (resid     12 and name    HN)         (resid     11 and name   HB*)   2.900   1.100   1.100
assign   (resid      7 and name    HN)         (resid      6 and name    HA)   2.300   0.500   0.500
assign   (resid     30 and name    HN)         
((resid     30 and name  HD**)   or   (resid     31 and name  HD1*))
   3.400   1.600   1.600
assign   (resid     46 and name  HD2*)         (resid     42 and name   HA*)   3.400   1.600   1.600
assign   (resid     43 and name    HN)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   (resid     53 and name    HN)         
((resid     54 and name   HD*)   or   (resid     51 and name   HD1))
   3.900   2.100   2.100
assign   ((resid     62 and name    HA)   or   (resid     61 and name    HA))
         (resid     63 and name    HN)
        2.900 1.100 1.100 ! incr to 4.0 after round 5. (53 viol avg 0.354)
assign (resid   37 and name HN) (resid   36 and name HE*)  3.900 2.100 2.100 ! incr to 6.0 after round 11. (66 viol avg 0.127)
assign   (resid     56 and name   HD*)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     24 and name   HE1)         (resid     24 and name   HZ2)   2.900   1.100   1.100
assign   (resid     59 and name    HN)         (resid     59 and name    HA)   2.300   0.500   0.500
assign   (resid     18 and name    HN)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     58 and name   HA*)         (resid     59 and name    HN)   2.900   1.100   1.100
assign   (resid     12 and name    HN)         (resid     11 and name    HA)   2.300   0.500   0.500
assign   (resid     40 and name    HN)         (resid     40 and name    HG)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     35 and name    HN)   3.400   1.600   1.600
assign   (resid     40 and name    HN)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     62 and name    HN)         (resid     62 and name   HB*)   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   31 and name HN) (resid   31 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (65 viol avg 0.070)
assign (resid   21 and name HN) (resid   21 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (88 viol avg 0.133)
assign   (resid     53 and name    HN)         (resid     50 and name    HN)   3.900   2.100   2.100
assign   (resid      3 and name    HN)         (resid      3 and name   HB*)   2.900   1.100   1.100
assign (resid   15 and name HN) (resid   14 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (78 viol avg 0.351)
assign   (resid     21 and name    HN)         (resid     24 and name   HB*)   3.400   1.600   1.600
assign   (resid     55 and name    HE)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign (resid   30 and name HN) (resid   30 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (99 viol avg 0.144)
assign (resid   24 and name HN) (resid   24 and name HD1)  3.900 2.100 2.100 ! incr to 6.0 after round 12. (33 viol avg 0.105)
assign   (resid     36 and name    HN)         (resid     35 and name   HD*)   3.400   1.600   1.600
assign   (resid      4 and name    HN)         (resid      5 and name    HN)   3.400   1.600   1.600
assign   (resid     22 and name    HN)         (resid     22 and name  HG2*)   3.400   1.600   1.600
assign   (resid     39 and name    HN)         (resid     38 and name    HA)   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     49 and name  HG**)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign (resid   59 and name HN) 
 ((resid   56 and name HB*) or (resid   57 and name HB*))
  3.900 2.100 2.100 ! incr to 6.0 after round 11. (41 viol avg 0.093)
assign   ((resid     52 and name    HA*)   or   (resid     58 and name   HA*))
         (resid     55 and name    HE)
   3.400   1.600   1.600
assign   (resid      7 and name    HN)         (resid      7 and name   HB*)   2.900   1.100   1.100
assign   (resid     29 and name    HN)         (resid     30 and name  HD**)   3.900   2.100   2.100
assign   (resid     16 and name    HN)         (resid     12 and name   HA*)   3.400   1.600   1.600
assign   (resid     53 and name    HN)         (resid     53 and name    HB)   2.300   0.500   0.500
assign   (resid     50 and name    HN)         (resid     50 and name    HA)   2.300   0.500   0.500
assign   (resid     14 and name    HN)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   (resid     40 and name    HN)         (resid     39 and name   HB*)   2.900   1.100   1.100
assign   (resid      7 and name    HN)         (resid      6 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     38 and name    HN)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         (resid     51 and name   HD1)   2.300   0.500   0.500
assign   (resid      9 and name    HA)         (resid     12 and name    HN)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign   (resid     42 and name    HN)         (resid     38 and name  HG**)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         (resid     40 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HE)         (resid     55 and name   HG*)   3.400   1.600   1.600
assign   (resid     45 and name   HA*)         (resid     45 and name    HN)   2.300   0.500   0.500
assign   (resid     39 and name    HN)         
((resid     37 and name   HB*)   or   (resid     41 and name    HG))
   3.400   1.600   1.600
assign   (resid     19 and name   HB*)         (resid     19 and name    HN)   2.300   0.500   0.500
assign   (resid     61 and name    HN)         (resid     61 and name   HD2)   3.400   1.600   1.600
assign   (resid     45 and name    HN)         (resid     44 and name    HB)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     44 and name    HN)   3.900   2.100   2.100
assign   (resid      3 and name    HN)         (resid      3 and name   HB*)   2.900   1.100   1.100
assign   (resid     26 and name    HN)         (resid     25 and name   HG*)   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   16 and name HN) (resid   15 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (97 viol avg 0.373)
assign   (resid     44 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     64 and name    HN)         
((resid     64 and name   HB*)   or   (resid     63 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     25 and name    HN)         (resid     24 and name   HB*)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign   (resid     24 and name    HN)         (resid     24 and name   HB*)   2.300   0.500   0.500
assign ((resid   23 and name HN) or (resid   25 and name HN))
 (resid   27 and name HN) 
  3.400 1.600 1.600 ! incr to 5.0 after round 4. (51 viol avg 0.510)
assign   (resid     53 and name    HN)         (resid     54 and name   HB*)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     22 and name  HG2*)   3.900   2.100   2.100
assign   (resid     63 and name    HN)         (resid     63 and name   HB*)   2.300   0.500   0.500
assign   (resid     14 and name    HN)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     26 and name    HN)         (resid     25 and name    HN)   2.300   0.500   0.500
assign   (resid     24 and name   HE1)         (resid     24 and name   HB*)   3.900   2.100   2.100
assign   (resid     19 and name    HN)         (resid     18 and name   HB*)   2.900   1.100   1.100
assign   (resid     25 and name    HN)         (resid     24 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name    HN)         (resid     56 and name   HB*)   2.300   0.500   0.500
assign   (resid     55 and name  HH**)         (resid     51 and name   HE1)   3.900   2.100   2.100
assign   (resid     33 and name    HN)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign   (resid     11 and name    HN)         (resid     11 and name   HD*)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         (resid     55 and name    HE)   3.900   2.100   2.100
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     27 and name    HN)         (resid     24 and name   HB*)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign (resid   48 and name HN) (resid   48 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (67 viol avg 0.218)
assign   ((resid     44 and name    HN)   or   (resid     46 and name    HN))
         (resid     45 and name    HN)  
   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     56 and name    HN)   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     43 and name    HN)         (resid     39 and name   HD*)   3.900   2.100   2.100
assign   (resid     25 and name    HN)         (resid     24 and name   HZ3)   3.400   1.600   1.600
assign   (resid      3 and name    HN)         (resid      3 and name   HG*)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         (resid     38 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     42 and name    HN)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     16 and name    HN)         (resid     15 and name    HN)   2.900   1.100   1.100
assign   (resid     43 and name    HN)         (resid     40 and name  HD**)   3.900   2.100   2.100
assign   (resid     29 and name    HN)         (resid     27 and name    HA)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     18 and name    HN)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     33 and name   HB*)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     34 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     63 and name    HN)         (resid     63 and name   HD2)   3.900   2.100   2.100
assign   (resid     59 and name    HN)         (resid     59 and name   HD2)   3.400   1.600   1.600
assign   (resid     49 and name    HN)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign (resid   34 and name HA) (resid   38 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (52 viol avg 0.146)
assign   (resid     44 and name    HN)         (resid     44 and name    HB)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     29 and name    HN)         (resid     27 and name    HN)   3.400   1.600   1.600
assign   (resid     22 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name    HN)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name    HG)   2.300   0.500   0.500
assign   (resid     43 and name  HG2*)         (resid     45 and name    HN)   3.900   2.100   2.100
assign   (resid     37 and name    HN)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     22 and name    HN)         (resid     21 and name    HA)   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     35 and name    HN)         
((resid     35 and name    HA)   or   (resid     33 and name    HA)   or   (resid     31 and name    HA))
   2.900   1.100   1.100
assign   (resid     46 and name    HN)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid     38 and name    HN)         (resid     38 and name    HB)   2.300   0.500   0.500
assign   (resid     55 and name  HH**)         (resid     55 and name    HE)   2.900   1.100   1.100
assign (resid   57 and name HN) (resid   57 and name HG*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (41 viol avg 0.047)
assign   (resid     51 and name   HE1)         (resid     51 and name    HA)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     21 and name   HB*)   2.300   0.500   0.500
assign (resid   9 and name HA) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (68 viol avg 0.158)
assign   (resid     35 and name    HN)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid     54 and name    HN)         (resid     53 and name    HB)   2.300   0.500   0.500
assign (resid   47 and name HN) (resid   44 and name HB)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (62 viol avg 0.159)
assign   (resid     16 and name    HN)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     42 and name    HN)         (resid     42 and name   HA*)   2.300   0.500   0.500
assign   (resid      4 and name    HN)         (resid      3 and name   HB*)   3.400   1.600   1.600
assign   (resid     36 and name    HN)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid     59 and name    HN)         (resid     56 and name    HA)   2.900   1.100   1.100
assign   (resid     14 and name    HA)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     35 and name    HN)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name    HN)         (resid     50 and name    HA)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     56 and name    HN)   3.900   2.100   2.100
assign (resid   51 and name HN) (resid   51 and name HD1)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (71 viol avg 0.097)
assign   (resid     26 and name    HN)         (resid     24 and name   HB*)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign (resid   54 and name HN) (resid   54 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (53 viol avg 0.058)
assign   (resid     31 and name    HN)         (resid     29 and name    HN)   3.400   1.600   1.600
assign   (resid     30 and name    HN)         (resid     28 and name   HA*)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     38 and name    HN)   2.300   0.500   0.500
assign   (resid     60 and name    HN)         (resid     59 and name    HN)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     25 and name   HB*)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     30 and name    HN)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     52 and name    HN)   3.400   1.600   1.600
assign   (resid     57 and name    HN)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     34 and name  HG1*)   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     16 and name    HN)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid      2 and name    HN)         (resid      2 and name   HG*)   3.900   2.100   2.100
assign   (resid     52 and name    HN)         (resid     54 and name   HB*)   3.400   1.600   1.600
assign (resid   41 and name HN) (resid   41 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (94 viol avg 0.127)
assign   (resid     61 and name    HN)         (resid     61 and name   HB*)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (resid     30 and name  HD**)   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     62 and name    HN)         (resid     62 and name   HB*)   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     36 and name    HN)         
((resid     37 and name  HD**)   or   (resid     34 and name  HG2*))
   3.400   1.600   1.600
assign   (resid     36 and name    HN)         (resid     36 and name    HA)   2.300   0.500   0.500
assign   (resid     15 and name  HD2*)         (resid     15 and name    HN)   3.900   2.100   2.100
assign   (resid     33 and name    HN)         
((resid     34 and name  HG1*)   or   (resid     31 and name  HG1*))
   3.400   1.600   1.600
assign   (resid     55 and name    HN)         (resid     53 and name    HA)   3.400   1.600   1.600
assign   (resid     57 and name    HN)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     43 and name  HG2*)   3.900   2.100   2.100
assign   (resid     36 and name    HN)         
((resid     35 and name    HA)   or   (resid     33 and name    HA))
   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     45 and name    HN)   3.400   1.600   1.600
assign   (resid     47 and name    HN)         (resid     44 and name  HG2*)   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      4 and name    HN)         (resid      3 and name    HA)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     39 and name   HB*)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         
((resid     50 and name  HD**)   or   (resid     48 and name  HD**))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     35 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     29 and name    HN)         (resid     29 and name   HB*)   2.900   1.100   1.100
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   3.400   1.600   1.600
assign   (resid     23 and name   HB*)         (resid     23 and name    HN)   2.300   0.500   0.500
assign   ((resid     41 and name    HB*)   or   (resid     40 and name    HG))
         (resid     43 and name    HN)
   3.400   1.600   1.600
assign   (resid     56 and name    HN)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign (resid   44 and name HN) (resid   40 and name HB*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     15 and name    HN)         
((resid     18 and name   HB*)   or   (resid     16 and name   HB*))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (59 viol avg 0.154)
assign   (resid     16 and name  HE2*)         (resid     16 and name   HG*)   3.400   1.600   1.600
assign   (resid     35 and name    HN)         
((resid     31 and name  HD1*)   or   (resid     34 and name  HG2*))
   3.400   1.600   1.600
assign   (resid      7 and name    HN)         (resid      6 and name   HB*)   2.900   1.100   1.100
assign   (resid     61 and name    HN)         (resid     61 and name   HB*)   2.300   0.500   0.500
assign (resid   26 and name HN) (resid   25 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (72 viol avg 0.582)
assign   (resid     29 and name    HN)         (resid     28 and name    HN)   2.900   1.100   1.100
assign   (resid     15 and name  HD2*)         (resid     15 and name   HB*)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     37 and name  HD**)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     47 and name   HA*)   2.300   0.500   0.500
assign   (resid     13 and name   HB*)         (resid     10 and name    HN)   3.900   2.100   2.100
assign   (resid     13 and name   HB*)         (resid     12 and name    HN)   3.900   2.100   2.100
assign   (resid     57 and name    HN)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name    HN)         (resid     45 and name    HN)   2.300   0.500   0.500
assign   (resid     13 and name    HN)         
((resid     10 and name   HB*)   or   (resid     11 and name   HB*))
   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     20 and name    HN)   2.300   0.500   0.500
assign   (resid     54 and name    HN)         (resid     56 and name    HN)   3.400   1.600   1.600
assign   (resid     13 and name    HN)         (resid     12 and name   HA*)   2.300   0.500   0.500
assign (resid   17 and name HA) (resid   17 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (92 viol avg 0.077)
assign   (resid     58 and name    HN)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     31 and name    HB)   3.400   1.600   1.600
assign   (resid     12 and name   HA*)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   (resid     43 and name  HG2*)         (resid     44 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     60 and name    HN)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     36 and name   HB*)   2.300   0.500   0.500
assign (resid   40 and name HN) 
 ((resid   37 and name HA) or (resid   44 and name HA))
  3.400 1.600 1.600 ! incr to 5.0 after round 11. (40 viol avg 0.095)
assign   (resid     19 and name    HN)         
((resid     19 and name    HA)   or   (resid     18 and name    HA))
   2.300   0.500   0.500
assign   (resid     25 and name    HN)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid     48 and name    HN)         (resid     44 and name  HG2*)   3.900   2.100   2.100
assign   (resid     58 and name    HN)         (resid     59 and name    HA)   3.400   1.600   1.600
assign   (resid     52 and name  HG2*)         (resid     51 and name    HN)   3.900   2.100   2.100
!assign (resid   31 and name HN) (resid   35 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (66 viol avg 0.467)
assign   (resid     54 and name    HN)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   (resid     46 and name  HD2*)         
((resid     44 and name    HB)   or   (resid     48 and name    HA))
   3.900   2.100   2.100
assign (resid   22 and name HN) (resid   22 and name HB)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (37 viol avg 0.093)
assign   (resid     48 and name    HN)         (resid     48 and name    HA)   2.300   0.500   0.500
assign   (resid     51 and name   HE1)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     39 and name    HN)         (resid     39 and name   HD*)   3.400   1.600   1.600
assign   (resid     16 and name    HN)         (resid     15 and name    HN)   2.300   0.500   0.500
assign   (resid     52 and name    HN)         
((resid     54 and name   HD*)   or   (resid     51 and name   HD1))
   3.900   2.100   2.100
assign   (resid     49 and name    HN)         (resid     49 and name    HA)   2.300   0.500   0.500
assign   (resid     34 and name    HN)         
((resid     33 and name    HA)   or   (resid     31 and name    HA))
   2.900   1.100   1.100
assign   ((resid     41 and name    HB*)   or   (resid     40 and name    HG))
         (resid     44 and name    HN)
        3.900 2.100 2.100 ! incr to 6.0 after round 7. (73 viol avg 0.223)
assign   (resid     36 and name    HN)         (resid     36 and name   HG*)   2.900   1.100   1.100
assign   (resid     57 and name    HN)         (resid     57 and name   HB*)   2.300   0.500   0.500
assign   (resid     51 and name   HE1)         (resid     51 and name   HZ2)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   ((resid     51 and name    HA)   or   (resid     52 and name    HB))
         (resid     55 and name    HE)
   3.400   1.600   1.600
assign   (resid     40 and name    HN)         (resid     36 and name   HG*)   3.900   2.100   2.100
assign   (resid     42 and name    HN)         (resid     38 and name    HA)   2.900   1.100   1.100
assign (resid   13 and name HN) (resid   15 and name HA)  3.900 2.100 2.100 ! could be commented out due to major violation after round 13
assign   (resid     46 and name    HA)         (resid     45 and name    HN)   3.400   1.600   1.600
assign   (resid      6 and name    HN)         (resid      6 and name   HB*)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     31 and name    HB)   2.300   0.500   0.500
assign   (resid     50 and name    HN)         (resid     46 and name    HA)   2.900   1.100   1.100
assign   (resid     19 and name   HB*)         (resid     20 and name    HN)   2.300   0.500   0.500
assign   ((resid     49 and name    HN)   or   (resid     48 and name    HN))
         (resid     46 and name   HB*)   
  3.400   1.600   1.600
assign   (resid     37 and name    HN)         
((resid     33 and name   HB*)   or   (resid     41 and name   HB*))
   3.400   1.600   1.600
assign   (resid     49 and name    HB)         (resid     50 and name    HN)   2.300   0.500   0.500
assign   (resid     59 and name    HN)         (resid     59 and name   HB*)   2.300   0.500   0.500
assign   (resid     46 and name    HN)         
((resid     50 and name  HD**)   or   (resid     48 and name  HD**))
   3.900   2.100   2.100
assign   (resid     51 and name    HN)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     53 and name    HA)   2.900   1.100   1.100
assign (resid   14 and name HA) (resid   15 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (98 viol avg 0.338)
assign   (resid     21 and name    HN)         (resid     20 and name   HG*)   3.400   1.600   1.600
assign   (resid     22 and name    HN)         (resid     24 and name   HB*)   3.400   1.600   1.600
assign (resid   64 and name HA) (resid   63 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (66 viol avg 0.047)
assign   (resid     10 and name    HN)         (resid     10 and name   HB*)   2.300   0.500   0.500
assign   (resid     24 and name    HN)         (resid     24 and name    HA)   2.300   0.500   0.500
assign   (resid      6 and name    HN)         (resid      6 and name    HA)   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     53 and name    HN)         (resid     52 and name    HB)   2.300   0.500   0.500
assign   (resid     41 and name    HN)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign   (resid     55 and name    HN)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     23 and name   HB*)         (resid     27 and name    HN)   3.900   2.100   2.100
assign (resid   38 and name HN) 
 ((resid   34 and name HB) or (resid   40 and name HG) or (resid   41 and name HB*)) 
 3.400 1.600 1.600 ! incr to 6.0 after round 6. (100 viol avg 0.395)
assign   (resid     51 and name   HE1)         (resid     54 and name   HB*)   3.900   2.100   2.100
assign   (resid     28 and name    HN)         (resid     29 and name   HB*)   3.900   2.100   2.100
assign (resid   27 and name HN) (resid   27 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 11. (43 viol avg 0.104)
assign   (resid     13 and name   HB*)         (resid     13 and name    HN)   2.900   1.100   1.100
assign   (resid     59 and name    HN)         (resid     59 and name   HB*)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     37 and name    HA)   2.300   0.500   0.500
assign   (resid     39 and name   HB*)         (resid     43 and name    HN)   3.900   2.100   2.100
assign (resid   9 and name HN) (resid   10 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (67 viol avg 0.169)
assign   ((resid     37 and name    HD**)   or   (resid     38 and name  HG**))
         (resid     39 and name    HN)
         3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     34 and name    HN)   3.400   1.600   1.600
assign   (resid     47 and name    HN)         (resid     46 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name    HN)         (resid     52 and name    HA)   2.900   1.100   1.100
assign (resid   11 and name HB*) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (39 viol avg 0.113)
assign   (resid     40 and name    HN)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     45 and name   HA*)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     43 and name    HN)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HN)         (resid     55 and name   HG*)   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     49 and name  HG**)         (resid     46 and name    HN)   3.900   2.100   2.100
assign (resid   34 and name HG1*) (resid   38 and name HN)  3.900 2.100 2.100 ! could be commented out due to major violation after round 14
assign   (resid      8 and name    HN)         
((resid      7 and name    HN)   or   (resid      9 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     45 and name    HN)         (resid     48 and name   HB*)   3.400   1.600   1.600
assign   (resid     60 and name    HN)         (resid     59 and name    HN)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         
((resid     35 and name    HA)   or   (resid     33 and name    HA))
   2.300   0.500   0.500
assign   (resid     33 and name    HN)         (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 5. (68 viol avg 0.440)
assign   (resid      7 and name    HN)         (resid      7 and name   HB*)   2.900   1.100   1.100
assign (resid   40 and name HN) (resid   40 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (42 viol avg 0.095)
assign   (resid     55 and name   HB*)         (resid     55 and name    HE)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     29 and name   HB*)   2.900   1.100   1.100
assign   (resid     13 and name    HA)         (resid     12 and name    HN)   3.900   2.100   2.100
assign (resid   20 and name HN) (resid   20 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (95 viol avg 0.116)
assign   (resid     18 and name    HN)         (resid     17 and name   HB*)   2.900   1.100   1.100
assign   (resid      8 and name    HN)         (resid      8 and name   HB*)   2.300   0.500   0.500
assign   (resid     18 and name    HN)         (resid     17 and name    HN)   2.300   0.500   0.500
assign   (resid     58 and name    HN)         (resid     54 and name   HB*)   3.400   1.600   1.600
assign   (resid     36 and name    HN)         (resid     34 and name    HN)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         
((resid     44 and name    HN)   or   (resid     37 and name    HN))
   3.400   1.600   1.600
assign   (resid     46 and name    HN)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid     12 and name   HA*)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   ((resid     41 and name    HG)   or   (resid     48 and name    HB*))
         (resid     45 and name    HN)
   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign (resid   58 and name HN) (resid   57 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (63 viol avg 0.340)
assign   (resid     29 and name    HN)         (resid     28 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name    HN)         (resid     10 and name   HD*)   3.400   1.600   1.600
assign   (resid     46 and name  HD2*)         (resid     44 and name    HB)   3.900   2.100   2.100
assign   (resid     22 and name    HN)         (resid     23 and name    HN)   2.300   0.500   0.500
assign   (resid     55 and name    HE)         (resid     51 and name   HH2)   3.900   2.100   2.100
assign   (resid     45 and name    HN)         (resid     44 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     35 and name    HA)   2.900   1.100   1.100
assign (resid   44 and name HN) (resid   44 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (99 viol avg 0.126)
assign (resid   60 and name HN) (resid   59 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (70 viol avg 0.551)
assign   ((resid     49 and name    HB)   or   (resid     53 and name    HB))
         (resid     52 and name    HN)   
  3.400   1.600   1.600
assign   (resid     55 and name    HN)         (resid     54 and name    HA)   2.900   1.100   1.100
assign   (resid     58 and name    HN)         (resid     57 and name   HG*)   3.400   1.600   1.600
assign   (resid     51 and name    HN)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HN)         (resid     55 and name    HE)   3.900   2.100   2.100
assign   (resid     55 and name    HN)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   3.400   1.600   1.600
assign   (resid     60 and name    HN)         (resid     61 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HN)   2.300   0.500   0.500
assign   (resid     53 and name    HN)         (resid     52 and name    HN)   2.900   1.100   1.100
assign (resid   30 and name HN) (resid   30 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (42 viol avg 0.101)
assign   (resid     13 and name    HN)         
((resid     11 and name    HA)   or   (resid     10 and name    HA))
   3.400   1.600   1.600
assign   (resid      4 and name   HA*)         (resid      5 and name    HN)   2.300   0.500   0.500
assign   (resid     24 and name    HN)         (resid     23 and name   HB*)   2.300   0.500   0.500
assign (resid   20 and name HN) (resid   19 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (93 viol avg 0.548)
assign   (resid     42 and name    HN)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     46 and name  HD2*)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     38 and name    HN)   3.400   1.600   1.600
assign   (resid     43 and name    HN)         (resid     44 and name    HN)   2.300   0.500   0.500
assign   (resid     31 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     51 and name    HN)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign (resid   34 and name HN) 
((resid   32 and name HB*) or (resid   36 and name HB*))
 3.900 2.100 2.100 ! incr to 6.0 after round 9. (51 viol avg 0.136)
assign   (resid     33 and name    HN)         
((resid     30 and name  HD**)   or   (resid     31 and name  HG2*)   or   (resid     37 and name  HD**))
   3.400   1.600   1.600
assign   (resid      2 and name    HN)         (resid      2 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   (resid     62 and name    HN)         
((resid     61 and name    HA)   or   (resid     62 and name    HA))
   2.300   0.500   0.500
assign   (resid     12 and name    HN)         (resid     11 and name   HB*)   2.900   1.100   1.100
assign   (resid     18 and name    HN)         (resid     17 and name    HN)   2.300   0.500   0.500
assign   (resid     14 and name    HN)         (resid     12 and name    HN)   3.400   1.600   1.600
assign   (resid     43 and name    HA)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid     54 and name    HN)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     21 and name    HN)         (resid     21 and name   HD*)   3.400   1.600   1.600
assign   (resid     49 and name    HA)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     46 and name    HA)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         (resid     42 and name    HN)   2.900   1.100   1.100
assign (resid   33 and name HN) 
((resid   30 and name HB*) or (resid   30 and name HG))
 3.400 1.600 1.600 ! incr to 6.0 after round 9. (52 viol avg 0.155)
assign   (resid      8 and name    HN)         (resid      7 and name    HA)   2.300   0.500   0.500
assign   (resid     16 and name    HN)         (resid     17 and name    HN)   2.300   0.500   0.500
assign (resid   9 and name HN) (resid   10 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (67 viol avg 0.169)
assign   ((resid     11 and name    HA)   or   (resid     10 and name    HA))
         (resid     11 and name    HN)   
  2.300   0.500   0.500
assign   (resid     14 and name    HN)         (resid     12 and name   HA*)   2.900   1.100   1.100
assign   (resid     35 and name    HN)        
 ((resid     34 and name  HG1*)   or   (resid     31 and name  HG1*))
   3.400   1.600   1.600
assign   (resid      4 and name    HN)         (resid      3 and name   HG*)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     58 and name    HN)         (resid     57 and name    HN)   2.900   1.100   1.100
assign   (resid     18 and name    HN)         (resid     18 and name    HA)   2.300   0.500   0.500
assign   (resid     40 and name    HN)         (resid     37 and name    HN)   3.400   1.600   1.600
assign   (resid     56 and name    HN)         (resid     56 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     50 and name   HB*)   3.400   1.600   1.600
assign   (resid      5 and name    HN)         (resid      5 and name   HA*)   2.300   0.500   0.500
assign   (resid     37 and name    HN)         (resid     37 and name   HB*)   2.300   0.500   0.500
assign   (resid     42 and name    HN)         (resid     39 and name    HA)   3.400   1.600   1.600
assign (resid   57 and name HN) (resid   57 and name HG*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (41 viol avg 0.047)
assign   (resid      7 and name    HN)         (resid      7 and name    HA)   2.900   1.100   1.100
assign (resid   57 and name HN) (resid   57 and name HD*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (25 viol avg 0.048)
assign   (resid     34 and name  HG1*)         (resid     34 and name    HN)   2.900   1.100   1.100
assign (resid   23 and name HN) (resid   23 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (93 viol avg 0.087)
assign   (resid     27 and name    HN)        
 ((resid     25 and name   HB*)   or   (resid     30 and name   HB*))
   3.400   1.600   1.600
assign   (resid     45 and name    HN)         (resid     41 and name   HB*)   3.900   2.100   2.100
assign   (resid     37 and name    HN)         (resid     36 and name   HB*)   2.300   0.500   0.500
assign (resid   29 and name HN) (resid   29 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (64 viol avg 0.118)
assign   (resid     10 and name    HA)         (resid     10 and name    HN)   2.300   0.500   0.500
assign   (resid     34 and name    HN)         (resid     33 and name   HB*)   2.900   1.100   1.100
assign   (resid     17 and name    HN)         (resid     16 and name   HB*)   2.900   1.100   1.100
assign (resid   38 and name HN) (resid   38 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (76 viol avg 0.099)


!!!!!!!!!!!!
!!13C NOEs from NOESY-13CHSQC
!!!!!!!!!!!!

assign   (resid     57 and name   HG*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     41 and name    HA)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         (resid     51 and name   HD1)   3.400   1.600   1.600
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.300   0.500   0.500
assign   (resid     35 and name    HN)         (resid     34 and name  HG2*)   3.400   1.600   1.600
assign   (resid      9 and name   HB*)         (resid     10 and name    HN)   3.400   1.600   1.600
assign   (resid     36 and name   HB*)         (resid     40 and name  HD**)   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     39 and name   HB*)         (resid     40 and name    HG)   3.400   1.600   1.600
assign (resid   23 and name HN) (resid   23 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (93 viol avg 0.087)
assign   (resid     56 and name    HN)         (resid     56 and name   HG*)   3.400   1.600   1.600
assign   (resid     32 and name    HA)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   ((resid     10 and name   HA)   or   (resid     11 and name    HA))
         ((resid     10 and name   HB*)   or   (resid     11 and name    HB*))
        2.300 0.500 0.500 ! incr to 4.0 after round 6. (51 viol avg 0.314)
assign   (resid     37 and name   HB*)
         ((resid     48 and name  HD**)   or   (resid     37 and name  HD**))
   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     29 and name   HB*)   3.900   2.100   2.100
assign   (resid      7 and name    HN)         (resid      6 and name    HA)   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     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)
         ((resid     31 and name  HG2*)   or   (resid     38 and name   HG**)   or   (resid     37 and name  HD**))
   3.900   2.100   2.100
assign   (resid     53 and name  HG**)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     37 and name   HB*)         (resid     37 and name  HD**)   2.300   0.500   0.500
assign   (resid     34 and name  HG1*)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     16 and name    HN)         (resid     15 and name   HB*)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid      9 and name    HA)         (resid     12 and name   HA*)   3.400   1.600   1.600
assign   (resid     39 and name    HN)         (resid     38 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   26 and name HA) or (resid   27 and name HA))
  ((resid   30 and name HB*) or (resid   30 and name HG) or (resid   25 and name HB*))
   2.900 1.100 1.100 ! incr to 5.0 after round 10. (63 viol avg 0.160)
assign   (resid     56 and name   HD*)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     34 and name  HG1*)         (resid     34 and name  HD1*)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.300   0.500   0.500
assign   (resid     40 and name    HN)         (resid     39 and name   HB*)   3.400   1.600   1.600
assign   (resid     18 and name   HG*)         (resid     18 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     31 and name  HD1*)   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     33 and name    HN)         (resid     32 and name   HD*)   3.400   1.600   1.600
assign   (resid     27 and name   HB*)         (resid     30 and name    HG)   3.400   1.600   1.600
assign   (resid     30 and name    HN)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   (resid     44 and name    HN)         (resid     44 and name    HB)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HE)   3.900   2.100   2.100
assign   (resid     50 and name   HB*)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name    HN)         (resid     56 and name    HA)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     50 and name  HD**)         (resid     54 and name   HB*)   3.900   2.100   2.100
assign   (resid     49 and name    HA)         (resid     49 and name  HG**)   2.300   0.500   0.500
assign   (resid     55 and name    HA)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     51 and name   HB*)         (resid     51 and name    HA)   2.300   0.500   0.500
assign   (resid     34 and name    HA)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   ((resid     27 and name   HB*)   or   (resid     26 and name   HB*))
         (resid     29 and name    HN)  
   3.400   1.600   1.600
assign   (resid     34 and name    HA)         (resid     37 and name   HB*)   2.900   1.100   1.100
assign   (resid     23 and name    HN)         (resid     22 and name  HG2*)   3.400   1.600   1.600
assign   ((resid     24 and name   HZ3)   or   (resid     21 and name   HD*))
         (resid     22 and name    HA)  
   3.400   1.600   1.600
assign   (resid     44 and name  HG2*)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     18 and name    HN)         (resid     18 and name    HA)   2.300   0.500   0.500
assign   ((resid     46 and name   HB*)   or   (resid     15 and name   HB*))
         ((resid     18 and name   HB*) or (resid 49 and name   HB) or (resid 16 and name HB*))
   2.900   1.100   1.100
assign (resid   53 and name HB) (resid   52 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (98 viol avg 0.485)
assign   (resid     32 and name   HD*)         (resid     30 and name    HN)   3.900   2.100   2.100
assign   (resid     53 and name  HG**)         (resid     56 and name    HN)   3.900   2.100   2.100
assign   (resid     28 and name   HA*)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     56 and name    HN)         (resid     56 and name   HG*)   3.400   1.600   1.600
assign   (resid     57 and name   HD*)         (resid     54 and name    HA)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     34 and name  HD1*)   3.900   2.100   2.100
assign   (resid     16 and name    HA)         
((resid     18 and name    HN)   or   (resid     19 and name    HN))
   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.300   0.500   0.500
assign (resid   60 and name HN) (resid   59 and name HA)  2.900 1.100 1.100 ! incr to 6.0 after round 4. (55 viol avg 0.532)
assign ((resid   20 and name HN) or (resid   25 and name HN))
 (resid   23 and name HA)  
 3.400 1.600 1.600 ! incr to 6.0 after round 4. (55 viol avg 0.532)
assign   (resid     50 and name    HN)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name   HD1)   3.400   1.600   1.600
assign   (resid     54 and name   HB*)         (resid     54 and name    HA)   2.900   1.100   1.100
assign   (resid     10 and name    HN)         (resid     10 and name   HB*)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     18 and name    HA)   2.300   0.500   0.500
assign   (resid     43 and name  HG2*)         (resid     43 and name    HB)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     49 and name  HG**)   3.900   2.100   2.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     54 and name   HD*)         (resid     54 and name   HB*)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     46 and name   HB*)   3.400   1.600   1.600
assign   (resid     51 and name    HA)         (resid     51 and name   HE3)   3.400   1.600   1.600
assign   (resid     37 and name    HN)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid      6 and name   HB*)         (resid      6 and name    HA)   2.300   0.500   0.500
assign   (resid     38 and name  HG**)         (resid     35 and name    HA)   2.900   1.100   1.100
assign   (resid      7 and name   HD*)         (resid      7 and name   HB*)   3.400   1.600   1.600
assign   (resid      7 and name   HD*)         (resid      7 and name   HB*)   3.400   1.600   1.600
assign   (resid     39 and name   HD*)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     53 and name  HG**)         (resid     54 and name   HD*)   3.900   2.100   2.100
assign   (resid      8 and name   HB*)         (resid      8 and name    HA)   2.300   0.500   0.500
assign   (resid     35 and name    HN)         (resid     35 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name    HN)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name    HA)   2.300   0.500   0.500
assign   (resid     31 and name    HN)         (resid     30 and name  HD**)   3.900   2.100   2.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     23 and name   HB*)         (resid     26 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     60 and name   HB*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name   HE3)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   (resid     53 and name    HA)         (resid     56 and name   HB*)   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     55 and name    HN)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     50 and name    HA)   3.400   1.600   1.600
assign   (resid     28 and name   HA*)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     34 and name    HA)         (resid     34 and name  HG2*)   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     22 and name  HG2*)         (resid     21 and name   HD*)   3.900   2.100   2.100
assign   (resid     35 and name   HB*)         
((resid     31 and name  HG2*)   or   (resid     38 and name  HG**)   or   (resid     37 and name  HD**))
   3.400   1.600   1.600
assign   (resid      4 and name    HN)         (resid      4 and name   HA*)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name  HH**)         (resid     55 and name   HD*)   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      9 and name   HB*)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)       
  ((resid     35 and name    HA)   or   (resid     33 and name    HA))
   2.900   1.100   1.100
assign (resid   43 and name HA) (resid   46 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (78 viol avg 0.217)
assign   (resid     56 and name   HB*)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     54 and name    HA)   2.900   1.100   1.100
assign ((resid   58 and name HA*) or (resid   12 and name HA*))
((resid   8 and name HB*) or (resid   55 and name HD*))
 3.400 1.600 1.600 ! incr to 5.0 after round 9. (50 viol avg 0.221)
assign   (resid     45 and name   HA*)         (resid     48 and name  HD**)   3.400   1.600   1.600
assign   (resid     55 and name   HG*)         (resid     55 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     44 and name  HG2*)         (resid     44 and name    HN)   2.900   1.100   1.100
assign   (resid     10 and name   HB*)         (resid     10 and name   HD*)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     40 and name   HB*)   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     14 and name    HA)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   (resid     27 and name   HB*)         (resid     24 and name    HA)   2.900   1.100   1.100
assign   (resid     47 and name   HA*)         (resid     46 and name    HA)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     31 and name    HA)   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     55 and name   HB*)         (resid     55 and name   HG*)   2.300   0.500   0.500
assign   (resid     26 and name    HA)         (resid     29 and name    HN)   3.400   1.600   1.600
assign   (resid     22 and name  HG2*)         (resid     22 and name    HB)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name  HD1*)         (resid     28 and name   HA*)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   ((resid     53 and name  HG**)   or   (resid     38 and name  HG**))
         ((resid     34 and name    HB)   or   (resid     57 and name   HB*))
   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     35 and name    HA)   3.400   1.600   1.600
assign   (resid     56 and name   HB*)         (resid     56 and name    HA)   2.900   1.100   1.100
assign   (resid     43 and name    HA)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   (resid     39 and name   HD*)         (resid     36 and name    HA)   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     35 and name   HD*)   2.900   1.100   1.100
assign   (resid     16 and name    HA)         (resid     16 and name   HB*)   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     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid      8 and name   HB*)         (resid     12 and name   HA*)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     49 and name    HA)   3.400   1.600   1.600
assign   (resid     39 and name    HN)         (resid     40 and name   HB*)   3.900   2.100   2.100
assign   (resid     31 and name  HG1*)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name   HD1)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HB)   2.300   0.500   0.500
assign   (resid     64 and name    HA)         (resid     64 and name   HB*)   2.900   1.100   1.100
assign (resid   14 and name HA) (resid   15 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (98 viol avg 0.338)
assign   (resid     24 and name    HN)         (resid     24 and name   HB*)   2.300   0.500   0.500
assign   (resid     15 and name    HA)         (resid     18 and name   HB*)   3.400   1.600   1.600
assign   (resid     61 and name    HN)         (resid     60 and name    HA)   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     49 and name    HB)         (resid     49 and name  HG**)   2.300   0.500   0.500
assign   (resid     26 and name    HA)         (resid     26 and name   HB*)   2.300   0.500   0.500
assign   (resid     57 and name   HB*)
         ((resid     56 and name   HD*)   or   (resid     57 and name   HD*))
   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     47 and name   HA*)   2.300   0.500   0.500
assign   (resid     32 and name   HD*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     55 and name    HE)   3.900   2.100   2.100
assign   ((resid     40 and name  HD**) or (resid     49 and name  HG**))
         ((resid     52 and name  HG2*) or (resid     44 and name  HG2*))
        2.900 1.100 1.100 ! incr to 5.0 after round 14. (30 viol avg 0.065)
assign   (resid     38 and name  HG**)         (resid     35 and name    HA)   2.900   1.100   1.100
assign   (resid     51 and name   HE1)         (resid     51 and name   HD1)   3.400   1.600   1.600
assign   (resid     54 and name    HN)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
!assign (resid   43 and name HA) (resid   42 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (74 viol avg 0.040)
assign   (resid      7 and name   HB*)         (resid      7 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     52 and name    HB)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     51 and name   HE1)         (resid     55 and name   HD*)   3.900   2.100   2.100
assign   (resid     31 and name  HG1*)         (resid     28 and name   HA*)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     24 and name   HB*)         (resid     24 and name    HA)   2.300   0.500   0.500
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   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     24 and name   HE3)         
         ((resid     25 and name    HA)   or   (resid     28 and name   HA*)   or   (resid     26 and name   HB*))
   3.400   1.600   1.600
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     35 and name    HA)   3.400   1.600   1.600
assign   (resid     20 and name   HB*)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name    HA)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid     55 and name    HE)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     51 and name    HA)   3.400   1.600   1.600
assign   (resid     36 and name   HE*)         (resid     35 and name   HE*)   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     50 and name    HN)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HA)   2.300   0.500   0.500
assign   (resid     54 and name   HD*)         (resid     54 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     11 and name    HA)   or   (resid     10 and name    HA))
         ((resid     10 and name    HN)   or   (resid     11 and name    HN))
   2.300   0.500   0.500
assign   (resid     58 and name    HN)         (resid     57 and name   HB*)   3.400   1.600   1.600
assign   (resid     57 and name   HB*)         (resid     57 and name   HE*)   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     40 and name  HD**)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     43 and name  HG2*)         (resid     43 and name    HB)   2.300   0.500   0.500
assign   (resid     60 and name   HB*)         (resid     60 and name   HD2)   2.900   1.100   1.100
assign   (resid     24 and name   HE3)         (resid     25 and name   HB*)   3.900   2.100   2.100
assign   (resid     23 and name   HB*)         (resid     23 and name    HN)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name    HG)         (resid     30 and name    HA)   2.900   1.100   1.100
assign (resid   39 and name HB*) (resid   36 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (76 viol avg 0.382)
assign   (resid     21 and name    HN)         (resid     21 and name   HD*)   3.900   2.100   2.100
assign   (resid     36 and name    HN)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     51 and name   HZ2)   3.900   2.100   2.100
assign   (resid     53 and name    HA)         (resid     56 and name   HB*)   3.400   1.600   1.600
assign   (resid     13 and name   HB*)         (resid     10 and name   HB*)   3.400   1.600   1.600
assign   (resid     59 and name    HA)         (resid     59 and name   HB*)   2.300   0.500   0.500
assign   (resid     30 and name    HG)         (resid     30 and name  HD**)   2.300   0.500   0.500
assign   (resid      8 and name   HB*)         (resid      8 and name    HA)   2.900   1.100   1.100
assign   (resid     10 and name    HA)         (resid     10 and name   HD*)   3.400   1.600   1.600
assign   (resid     57 and name    HN)         (resid     57 and name   HG*)   3.400   1.600   1.600
!assign (resid   33 and name HB*) (resid   35 and name HE*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign   (resid     53 and name    HN)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name  HD**)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     32 and name   HD*)   3.400   1.600   1.600
assign   (resid     30 and name    HG)         (resid     29 and name   HB*)   3.400   1.600   1.600
assign   (resid     24 and name   HZ2)         (resid     24 and name   HH2)   2.300   0.500   0.500
assign   (resid     39 and name   HD*)         (resid     40 and name  HD**)   3.900   2.100   2.100
assign (resid   11 and name HA) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (26 viol avg 0.069)
assign   (resid     32 and name   HB*)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     56 and name    HN)   3.400   1.600   1.600
assign   (resid     31 and name  HD1*)         (resid     27 and name    HA)   3.400   1.600   1.600
assign   (resid     18 and name    HA)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     18 and name   HG*)         (resid     21 and name   HD*)   3.900   2.100   2.100
assign   (resid     60 and name   HB*)         (resid     60 and name    HA)   2.300   0.500   0.500
assign   (resid     45 and name   HA*)         (resid     46 and name    HA)   3.400   1.600   1.600
assign   (resid     30 and name    HA)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     25 and name    HA)         (resid     25 and name   HD*)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     11 and name   HE*)   3.400   1.600   1.600
assign   (resid     22 and name    HB)         (resid     21 and name   HD*)   3.400   1.600   1.600
assign (resid   44 and name HB) (resid   44 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (85 viol avg 0.186)
assign (resid   40 and name HB*) (resid   37 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (58 viol avg 0.096)
assign   (resid     11 and name   HB*)         (resid     11 and name   HD*)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     36 and name    HA)   3.900   2.100   2.100
assign   (resid     51 and name    HN)         (resid     48 and name    HA)   3.400   1.600   1.600
assign   (resid     43 and name    HA)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign (resid   46 and name HN) (resid   46 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (50 viol avg 0.092)
assign   (resid     31 and name  HG2*)         (resid     35 and name   HE*)   3.900   2.100   2.100
assign   (resid     15 and name    HN)         (resid     15 and name    HA)   2.300   0.500   0.500
assign   (resid     20 and name   HG*)         (resid     20 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name    HN)         (resid     57 and name   HD*)   3.400   1.600   1.600
assign (resid   34 and name HA) (resid   34 and name HB)  2.900 1.100 1.100 ! incr to 4.0 after round 7. (57 viol avg 0.173)
assign   (resid     56 and name   HB*)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     43 and name    HN)         (resid     43 and name    HA)   2.900   1.100   1.100
assign   (resid      2 and name    HA)         (resid      2 and name   HB*)   3.400   1.600   1.600
assign   (resid     29 and name    HN)         (resid     29 and name   HB*)   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     25 and name   HB*)         (resid     25 and name   HG*)   2.900   1.100   1.100
assign   ((resid     53 and name    HN)   or   (resid     57 and name    HN))
         (resid     55 and name    HA)  
   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     57 and name   HG*)   3.900   2.100   2.100
assign   (resid      9 and name   HB*)         (resid      9 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name    HB)         (resid     53 and name  HG**)   2.300   0.500   0.500
assign   (resid     50 and name   HB*)         (resid     51 and name   HD1)   3.900   2.100   2.100
assign   (resid     30 and name  HD**)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid      2 and name    HA)         (resid      2 and name   HB*)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         
((resid     35 and name    HA)   or   (resid     33 and name    HA)   or   (resid     31 and name    HA))
        2.900 1.100 1.100 ! incr to 5.0 after round 7. (56 viol avg 0.285)
assign   (resid     32 and name   HD*)        
 ((resid     30 and name    HG)   or   (resid     31 and name  HG1*))
   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     48 and name  HD**)   3.900   2.100   2.100
assign   (resid     55 and name   HB*)         (resid     52 and name    HA)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name   HD1)   3.400   1.600   1.600
assign   (resid     51 and name    HN)         (resid     50 and name    HA)   3.400   1.600   1.600
assign   ((resid     36 and name   HE*)   or   (resid     32 and name   HG*))
         (resid     33 and name    HA)  
        3.900 2.100 2.100 ! incr to 6.0 after round 13. (25 viol avg 0.073)
assign   (resid     32 and name   HD*)         (resid     29 and name    HN)   3.900   2.100   2.100
assign   (resid      6 and name   HB*)         (resid      6 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     52 and name    HB)   3.900   2.100   2.100
assign   (resid     51 and name   HE1)         (resid     55 and name   HD*)   3.900   2.100   2.100
assign   ((resid     34 and name  HG1*)   or   (resid     31 and name  HG1*))
         (resid     34 and name    HA)  
   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)
         ((resid     52 and name  HB)   or   (resid     46 and name    HA))
   2.900   1.100   1.100
assign   (resid     50 and name  HD**)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   (resid     53 and name    HN)         (resid     52 and name    HA)   3.400   1.600   1.600
assign   (resid     53 and name    HB)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid      2 and name    HA)         (resid      2 and name   HB*)   3.400   1.600   1.600
assign ((resid   32 and name HG*) or (resid   32 and name HB*) or (resid   34 and name HB*))
  (resid   35 and name HE*)  
  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     35 and name    HA)         (resid     38 and name    HB)   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     35 and name   HB*)         (resid     38 and name    HB)   3.400   1.600   1.600
assign   (resid     49 and name    HA)         (resid     48 and name   HB*)   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign (resid   55 and name HN) (resid   51 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 9. (59 viol avg 0.120)
assign   (resid     10 and name   HB*)         (resid     10 and name   HE*)   3.900   2.100   2.100
assign   (resid     20 and name   HG*)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     57 and name   HG*)   3.900   2.100   2.100
assign   (resid     40 and name  HD**)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     52 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     40 and name  HD**)   3.900   2.100   2.100
assign   (resid     38 and name  HG**)         (resid     35 and name   HE*)   3.900   2.100   2.100
assign   (resid     21 and name   HD*)         (resid     21 and name    HA)   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     35 and name   HB*)         (resid     31 and name  HG2*)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name    HA)         (resid     56 and name   HG*)   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     50 and name  HD**)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   ((resid     20 and name   HG*)   or   (resid     16 and name   HG*))
         (resid     17 and name    HA)  
   3.400   1.600   1.600
assign   ((resid     30 and name    HA)   or   (resid     27 and name    HA))
         (resid     29 and name   HB*)  
   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     17 and name    HA)         (resid     17 and name   HB*)   2.300   0.500   0.500
assign   (resid     21 and name   HD*)         (resid     22 and name    HA)   3.900   2.100   2.100
assign   (resid     48 and name  HD**)         (resid     51 and name   HE3)   3.900   2.100   2.100
assign   ((resid     34 and name    HN)   or   (resid     29 and name    HN))
         (resid     31 and name    HA)  
   3.400   1.600   1.600
assign   (resid     10 and name   HB*)         (resid     10 and name   HD*)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     53 and name  HG**)         (resid     54 and name    HA)   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     38 and name    HB)   3.400   1.600   1.600
assign   ((resid     49 and name    HB)   or   (resid     53 and name    HB))
         (resid     50 and name  HD**)  
   3.400   1.600   1.600
assign   ((resid     34 and name    HA)   or   (resid     45 and name   HA*))
         ((resid     37 and name    HG)   or   (resid     48 and name    HG))
        3.400 1.600 1.600 ! incr to 5.0 after round 11. (63 viol avg 0.087)
assign   (resid      9 and name   HB*)         (resid     10 and name    HN)   3.400   1.600   1.600
assign   (resid     40 and name    HG)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     57 and name   HD*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     46 and name    HA)         (resid     46 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     24 and name    HN)         (resid     24 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     35 and name   HD*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name    HN)   2.900   1.100   1.100
assign   (resid     39 and name    HA)
         ((resid     38 and name    HG**)   or   (resid     37 and name  HD**))
   3.400   1.600   1.600
assign   (resid     31 and name    HA)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)
         (resid     37 and name   HB*)   
         2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   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     33 and name    HA)
         ((resid     31 and name  HG2*)   or   (resid     30 and name    HD**)   or   (resid     37 and name  HD**))
   3.900   2.100   2.100
assign   (resid     16 and name   HG*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     24 and name   HE3)         (resid     24 and name   HB*)   2.900   1.100   1.100
assign   (resid     15 and name    HA)         (resid     18 and name   HB*)   3.400   1.600   1.600
assign   (resid     52 and name    HB)         (resid     53 and name  HG**)   3.900   2.100   2.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   2.900   1.100   1.100
assign   (resid     16 and name  HE2*)         (resid     16 and name   HG*)   3.400   1.600   1.600
assign   (resid     46 and name  HD2*)         (resid     46 and name   HB*)   3.400   1.600   1.600
assign   (resid     34 and name    HA)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid     14 and name    HA)
         ((resid     17 and name    HB**)   or   (resid     17 and name   HB*))
   3.400   1.600   1.600
assign   (resid     25 and name    HN)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   ((resid     34 and name    HN)   or   (resid     29 and name    HN))
         (resid     33 and name    HA)  
   2.900   1.100   1.100
assign   (resid     43 and name    HB)         (resid     44 and name  HG2*)   3.900   2.100   2.100
assign ((resid   26 and name HB*) or (resid   27 and name HB*) )
(resid   29 and name HB*) 
 3.900 2.100 2.100 ! incr to 6.0 after round 8. (63 viol avg 0.133)
assign   (resid     37 and name  HD**)         (resid     37 and name    HG)   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     31 and name    HB)         (resid     31 and name  HG2*)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     28 and name   HA*)   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     50 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     25 and name    HA)         (resid     25 and name   HB*)   2.300   0.500   0.500
assign   (resid     54 and name    HN)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign   (resid     29 and name    HA)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     34 and name  HG1*)         (resid     34 and name  HD1*)   2.900   1.100   1.100
assign   ((resid     35 and name    HA)   or   (resid     31 and name    HA))
         (resid     34 and name  HD1*)  
   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     15 and name    HN)   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     41 and name    HG)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     35 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   2.300   0.500   0.500
assign (resid   54 and name HB*) (resid   51 and name HE3)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (74 viol avg 0.322)
assign   (resid     49 and name  HG**)         (resid     54 and name   HB*)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     40 and name  HD**)   3.900   2.100   2.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HN)   2.900   1.100   1.100
assign   (resid     59 and name   HD2)         (resid     59 and name   HB*)   3.400   1.600   1.600
assign   ((resid     34 and name    HA)   or   (resid     28 and name  HA*))
         (resid     31 and name  HD1*)
   3.400   1.600   1.600
assign   (resid     25 and name   HB*)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name    HB)   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     38 and name    HN)         (resid     37 and name    HG)   3.400   1.600   1.600
assign   ((resid     25 and name    HA)   or   (resid     28 and name   HA*)   or   (resid     26 and name   HB*))
         (resid     29 and name   HB*)  
   3.400   1.600   1.600
assign   (resid     53 and name    HB)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     56 and name   HD*)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     26 and name    HN)         (resid     25 and name   HG*)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     52 and name  HG2*)
         ((resid     49 and name  HB)   or   (resid     53 and name    HB))
   3.900   2.100   2.100
assign   (resid     24 and name    HN)         (resid     23 and name   HB*)   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     48 and name    HN)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   (resid     24 and name   HE3)         (resid     24 and name   HZ3)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name  HG1*)   3.400   1.600   1.600
assign   (resid     51 and name   HH2)         (resid     51 and name   HZ2)   2.300   0.500   0.500
assign   (resid     32 and name   HD*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   ((resid     25 and name   HG*)   or   (resid     22 and name  HG2*))
         (resid     21 and name   HD*)  
   3.900   2.100   2.100
assign   (resid     37 and name   HB*)         (resid     37 and name    HA)   2.300   0.500   0.500
assign   ((resid     24 and name    HN)   or   (resid     23 and name    HN))
         (resid     21 and name    HA) 
    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     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     26 and name    HN)         (resid     25 and name   HB*)   3.400   1.600   1.600
assign   (resid     34 and name    HB)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     50 and name   HB*)   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     52 and name  HG2*)         (resid     52 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     32 and name   HB*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     22 and name    HA)   2.900   1.100   1.100
assign ((resid   40 and name HG) or (resid   32 and name HG*) or (resid   34 and name HB))
   (resid   36 and name HG*)  
        3.400 1.600 1.600 ! incr to 6.0 after round 11. (43 viol avg 0.120)
assign   (resid     47 and name   HA*)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     18 and name   HG*)         (resid     18 and name    HA)   2.900   1.100   1.100
assign   ((resid     30 and name  HD**)   or   (resid     31 and name  HD1*)   or   (resid     34 and name  HG2*))
         (resid     30 and name   HB*)   
  2.900   1.100   1.100
assign   (resid     57 and name    HN)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     46 and name   HB*)         (resid     50 and name    HG)   3.400   1.600   1.600
assign   (resid     54 and name    HN)         (resid     52 and name    HA)   3.900   2.100   2.100
assign   (resid     14 and name    HN)         (resid     13 and name    HA)   2.900   1.100   1.100
assign   ((resid     50 and name  HD**)   or   (resid     53 and name  HG**))
         (resid     51 and name    HA)  
   3.900   2.100   2.100
assign   (resid     53 and name    HN)         (resid     52 and name  HG2*)   3.400   1.600   1.600
assign   (resid     59 and name    HN)         (resid     59 and name   HB*)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     36 and name   HB*)   3.400   1.600   1.600
assign   (resid     53 and name    HB)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     47 and name   HA*)   3.400   1.600   1.600
assign   (resid     46 and name    HN)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     16 and name  HE2*)         (resid     16 and name   HG*)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     36 and name    HN)         (resid     36 and name   HB*)   2.300   0.500   0.500
assign   ((resid     48 and name    HN)   or   (resid     37 and name    HN))
         ((resid     37 and name   HB*)   or   (resid     48 and name   HB*))
   2.300   0.500   0.500
assign   (resid     44 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   ((resid     34 and name    HA)   or   (resid     45 and name   HA*))
         ((resid     37 and name   HB*)   or   (resid     48 and name   HB*))
   2.900   1.100   1.100
assign   (resid     16 and name    HN)         (resid     15 and name    HA)   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     50 and name  HD**)   or   (resid     53 and name  HG**))
         (resid     54 and name   HB*)  
   3.900   2.100   2.100
assign (resid   55 and name HG*)
 ((resid   51 and name HD1) or (resid   51 and name HH2) or (resid   54 and name HD*)) 
  3.900 2.100 2.100 ! incr to 6.0 after round 5. (62 viol avg 0.405)
assign   (resid     52 and name  HG2*)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     35 and name    HA)   2.300   0.500   0.500
assign   (resid     39 and name    HA)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     57 and name   HB*)         (resid     57 and name   HG*)   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     62 and name    HN)         
   ((resid     61 and name    HA)   or   (resid     62 and name    HA))
   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     57 and name   HB*)         (resid     57 and name   HG*)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     33 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     57 and name   HE*)   3.900   2.100   2.100
assign   (resid     32 and name   HD*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     53 and name    HB)         (resid     50 and name    HA)   2.300   0.500   0.500
assign   (resid     36 and name   HG*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     49 and name    HA)         (resid     50 and name    HA)   3.400   1.600   1.600
assign (resid   55 and name HA) (resid   55 and name HD*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (27 viol avg 0.154)
assign   (resid     53 and name    HB)         (resid     52 and name    HB)   3.400   1.600   1.600
assign   (resid     51 and name   HH2)         (resid     51 and name   HZ3)   2.300   0.500   0.500
assign   (resid     64 and name    HN)         (resid     64 and name   HB*)   2.900   1.100   1.100
!assign   ((resid     38 and name  HG**)   or   (resid     37 and name   HD**))
!         (resid     51 and name   HB*)
!        3.900 2.100 2.100 ! could be commented out due to major violation after round 3
assign   (resid     38 and name  HG**)         (resid     42 and name   HA*)   3.400   1.600   1.600
assign   (resid     31 and name  HG1*)         (resid     28 and name   HA*)   3.400   1.600   1.600
assign   (resid      4 and name    HN)         (resid      3 and name    HA)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name    HN)         (resid     51 and name   HB*)   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     27 and name   HB*)         (resid     27 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         
((resid     31 and name  HG2*)   or   (resid     38 and name  HG**)   or   (resid     37 and name  HD**))
   3.400   1.600   1.600
assign   (resid     26 and name    HN)         (resid     26 and name   HB*)   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     50 and name  HD**)         (resid     50 and name    HG)   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     51 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
assign   (resid     41 and name    HG)         (resid     37 and name    HG)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     36 and name   HG*)   3.900   2.100   2.100
assign   (resid     49 and name    HB)         (resid     49 and name  HG**)   2.300   0.500   0.500
assign   (resid     58 and name   HA*)         (resid     59 and name   HD2)   3.900   2.100   2.100
assign   (resid     47 and name   HA*)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     40 and name   HB*)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HG*)   2.300   0.500   0.500
assign   (resid     46 and name    HA)         (resid     46 and name   HB*)   2.300   0.500   0.500
assign   (resid     52 and name  HG2*)         (resid     52 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     35 and name   HD*)   3.900   2.100   2.100
assign   (resid     49 and name    HA)         (resid     48 and name    HG)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   2.300   0.500   0.500
assign   (resid     55 and name  HH**)         (resid     52 and name    HA)   3.400   1.600   1.600
assign   (resid     53 and name    HN)         (resid     53 and name    HB)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     37 and name    HA)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     40 and name  HD**)   3.900   2.100   2.100
assign   (resid     31 and name  HD1*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   (resid     21 and name   HB*)         (resid     22 and name    HA)   3.400   1.600   1.600
assign   (resid     61 and name    HN)         (resid     61 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name   HE3)         (resid     25 and name   HG*)   3.900   2.100   2.100
assign   (resid     29 and name    HN)         (resid     29 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     40 and name    HG)   3.900   2.100   2.100
assign   (resid     51 and name   HB*)         (resid     48 and name  HD**)   3.400   1.600   1.600
assign   (resid     48 and name    HA)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     26 and name    HN)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     61 and name   HD2)         (resid     61 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     58 and name   HA*)         (resid     57 and name    HN)   3.400   1.600   1.600
assign   (resid     55 and name   HD*)         (resid     51 and name   HZ2)   3.400   1.600   1.600
assign   (resid     61 and name    HN)         (resid     61 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name    HA)         
((resid     31 and name  HG2*)   or   (resid     30 and name  HD**))
   3.900   2.100   2.100
assign   (resid     52 and name    HN)         (resid     49 and name  HG**)   3.900   2.100   2.100
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.300   0.500   0.500
assign   (resid     49 and name  HG**)         (resid     50 and name    HG)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 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     36 and name   HB*)       
  ((resid     35 and name    HA)   or   (resid     33 and name    HA))
   2.900   1.100   1.100
assign   (resid     63 and name    HN)         (resid     63 and name   HB*)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     51 and name    HA)   3.400   1.600   1.600
assign   (resid     64 and name    HA)         (resid     64 and name   HB*)   2.900   1.100   1.100
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   3.900   2.100   2.100
assign   (resid     10 and name   HB*)         (resid     10 and name   HD*)   2.900   1.100   1.100
assign   (resid     40 and name    HG)         (resid     40 and name  HD**)   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     16 and name    HN)         (resid     16 and name   HB*)   2.900   1.100   1.100
assign   (resid     56 and name   HD*)         (resid     56 and name   HE*)   2.900   1.100   1.100
assign   (resid     34 and name  HG2*)         (resid     35 and name   HE*)   3.900   2.100   2.100
assign   (resid      8 and name    HN)         (resid      8 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name    HA)         (resid     34 and name    HB)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     35 and name   HD*)   3.900   2.100   2.100
assign   (resid     20 and name   HB*)         (resid     21 and name    HA)   3.400   1.600   1.600
assign   (resid     25 and name   HB*)         (resid     25 and name   HG*)   2.900   1.100   1.100
assign   (resid     32 and name   HB*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     56 and name   HB*)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     46 and name    HA)         (resid     50 and name  HD**)   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     51 and name   HH2)   3.400   1.600   1.600
assign   (resid     55 and name    HA)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   ((resid     46 and name  HD2*)   or   (resid     52 and name  HG2*)   or   (resid     44 and name  HG2*))
         (resid     55 and name  HH**)
   3.900   2.100   2.100
assign   (resid     31 and name    HA)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   ((resid     19 and name   HB*)   or   (resid     23 and name   HB*))
         (resid     20 and name    HA)  
   2.300   0.500   0.500
assign   (resid     35 and name   HB*)      
   ((resid     34 and name    HB)   or   (resid     32 and name   HG*))
   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     24 and name   HB*)         (resid     24 and name    HA)   2.300   0.500   0.500
assign   (resid     13 and name   HB*)         (resid     10 and name   HB*)   3.900   2.100   2.100
assign   ((resid     52 and name  HG2*)   or   (resid     44 and name  HG2*))
         (resid     48 and name    HG) 
    3.900   2.100   2.100
assign   (resid     33 and name    HN)         (resid     32 and name   HG*)   3.900   2.100   2.100
assign   (resid     51 and name    HA)         (resid     54 and name   HB*)   2.300   0.500   0.500
assign   (resid     30 and name    HN)         (resid     30 and name  HD**)   3.900   2.100   2.100
assign   (resid     30 and name    HA)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     12 and name   HA*)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   (resid     10 and name   HB*)         (resid     10 and name   HD*)   2.900   1.100   1.100
assign (resid   45 and name HA*) 
 ((resid   48 and name HG) or (resid   48 and name HB*))
  3.400 1.600 1.600 ! incr to 5.0 after round 10. (83 viol avg 0.082)
assign   (resid     24 and name   HE1)         (resid     24 and name   HD1)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     61 and name   HD2)         (resid     61 and name   HB*)   2.900   1.100   1.100
assign ((resid   54 and name HD*) or (resid   51 and name HD1))
  (resid   52 and name HA)  
  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     20 and name   HG*)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign   (resid     43 and name    HB)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   (resid     53 and name    HB)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     53 and name    HB)         (resid     54 and name   HD*)   3.900   2.100   2.100
assign   (resid     34 and name    HA)         (resid     37 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name    HA)         
((resid     34 and name    HN)   or   (resid     29 and name    HN))
   3.400   1.600   1.600
assign   ((resid     49 and name    HB)   or   (resid     53 and name    HB))
         ((resid     52 and name    HB)   or   (resid     46 and name    HA))
   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     40 and name    HG)   2.900   1.100   1.100
assign (resid   40 and name HB*) (resid   37 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (58 viol avg 0.096)
assign   (resid     63 and name   HB*)         (resid     63 and name   HD2)   2.900   1.100   1.100
assign   (resid     42 and name   HA*)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid     13 and name   HB*)         
((resid     15 and name    HA)   or   (resid     14 and name    HA))
   3.900   2.100   2.100
assign   (resid     35 and name   HB*)         (resid     35 and name    HA)   2.300   0.500   0.500
assign (resid   30 and name HA) 
   ((resid   34 and name HG2*) or (resid   30 and name HD**))
    2.900 1.100 1.100 ! incr to 5.0 after round 4. (60 viol avg 0.479)
assign   (resid     55 and name   HB*)         (resid     55 and name   HG*)   2.300   0.500   0.500
assign   (resid     45 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     35 and name    HN)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     37 and name   HB*)         (resid     37 and name    HA)   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     39 and name    HN)         (resid     38 and name    HB)   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     51 and name   HB*)         (resid     51 and name   HE3)   3.400   1.600   1.600
assign   (resid     31 and name  HD1*)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     35 and name    HA)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     48 and name    HA)         (resid     51 and name   HE3)   3.900   2.100   2.100
assign   (resid     51 and name    HA)         (resid     54 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     35 and name   HB*)         (resid     38 and name    HB)   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     40 and name  HD**)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     51 and name   HE3)   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     36 and name   HG*)         (resid     33 and name    HA)   3.400   1.600   1.600
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     52 and name    HA)   3.900   2.100   2.100
assign   (resid     57 and name   HB*)         (resid     57 and name   HD*)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     49 and name    HB)         (resid     48 and name   HB*)   3.400   1.600   1.600
assign   (resid     44 and name    HB)         (resid     41 and name  HD**)   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     32 and name    HA)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid     22 and name    HN)         (resid     19 and name    HA)   3.400   1.600   1.600
assign   (resid     51 and name    HA)         (resid     48 and name  HD**)   3.900   2.100   2.100
assign   (resid     42 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     25 and name   HB*)         (resid     25 and name   HG*)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     40 and name  HD**)   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     50 and name   HB*)         (resid     51 and name    HA)   3.400   1.600   1.600
assign   (resid     62 and name    HN)         (resid     62 and name   HB*)   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   35 and name HD*) or (resid   33 and name HN))
   (resid   36 and name HG*)  
   3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     24 and name   HZ3)         (resid     24 and name   HH2)   2.300   0.500   0.500
assign   (resid     31 and name  HG1*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     32 and name    HA)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     44 and name    HA)   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     13 and name   HB*)         (resid     12 and name   HA*)   3.900   2.100   2.100
assign   (resid     31 and name  HG1*)         (resid     31 and name    HB)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     49 and name  HG**)   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     31 and name  HD1*)   3.900   2.100   2.100
assign   (resid     51 and name   HB*)         (resid     51 and name   HE3)   2.900   1.100   1.100
assign   (resid     57 and name   HB*)         (resid     57 and name   HG*)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     37 and name  HD**)   3.400   1.600   1.600
assign   (resid     35 and name   HD*)         (resid     35 and name   HE*)   2.900   1.100   1.100
assign   (resid     36 and name   HE*)         (resid     40 and name    HA)   3.900   2.100   2.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name    HN)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     40 and name    HG)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (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   40 and name HB*) (resid   37 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (58 viol avg 0.096)
assign   (resid     62 and name   HD2)         (resid     62 and name   HB*)   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     26 and name    HA)         (resid     29 and name   HB*)   3.400   1.600   1.600
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   ((resid     35 and name    HN)   or   (resid     36 and name    HN))
         (resid     33 and name    HA)  
   2.900   1.100   1.100
assign   (resid     55 and name  HH**)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     51 and name   HB*)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name   HB*)         (resid     56 and name    HA)   2.300   0.500   0.500
assign (resid   46 and name HA) (resid   42 and name HA*)  3.400 1.600 1.600 ! incr to 5.0 after round 3. (56 viol avg 0.655)
assign   (resid     60 and name   HD2)         (resid     60 and name    HA)   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name   HG*)   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     38 and name    HB)         (resid     34 and name  HG2*)   3.400   1.600   1.600
assign   (resid     16 and name    HA)         (resid     19 and name   HB*)   2.900   1.100   1.100
assign   (resid     58 and name    HN)         (resid     58 and name   HA*)   2.300   0.500   0.500
assign   (resid     35 and name    HN)         (resid     34 and name  HD1*)   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   HE3)         (resid     25 and name   HB*)   3.900   2.100   2.100
assign   (resid     51 and name   HB*)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     16 and name    HN)         (resid     16 and name   HB*)   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     22 and name  HG2*)         (resid     19 and name    HA)   3.900   2.100   2.100
assign   (resid     46 and name    HA)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     28 and name    HN)         (resid     28 and name   HA*)   2.300   0.500   0.500
assign   (resid     42 and name   HA*)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid     50 and name  HD**)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   ((resid     60 and name   HD2)   or   (resid     31 and name    HN))
         ((resid     58 and name   HA*)   or   (resid     28 and name   HA*))
   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name   HG*)   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     57 and name   HG*)   or   (resid     56 and name   HG*))
         ((resid     57 and name   HE*)   or   (resid     56 and name   HE*))
   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name  HG2*)   3.400   1.600   1.600
assign (resid   22 and name HB) (resid   22 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (37 viol avg 0.147)
assign   ((resid     38 and name  HG**)   or   (resid     43 and name  HG2*))
         (resid     39 and name    HA) 
    3.400   1.600   1.600
assign   (resid     36 and name   HE*)         (resid     36 and name    HA)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     34 and name  HG2*)   3.400   1.600   1.600
assign   (resid     34 and name    HB)         (resid     34 and name  HD1*)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     31 and name  HD1*)   3.900   2.100   2.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign   (resid     48 and name    HN)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     34 and name    HB)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     37 and name   HB*)   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     17 and name   HB*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     18 and name    HA)         (resid     21 and name   HD*)   3.400   1.600   1.600
assign   (resid     21 and name    HA)         (resid     24 and name   HB*)   2.300   0.500   0.500
assign   (resid     10 and name    HN)         (resid     10 and name   HB*)   2.900   1.100   1.100
assign   (resid     58 and name    HN)         (resid     55 and name    HA)   3.400   1.600   1.600
assign   (resid     25 and name    HA)         (resid     24 and name   HD1)   3.900   2.100   2.100
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   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     46 and name    HN)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     33 and name    HA)   3.400   1.600   1.600
assign   ((resid     50 and name   HB*)   or   (resid     51 and name   HB*))
         (resid     48 and name    HG)
   3.400   1.600   1.600
assign   (resid     23 and name   HB*)         (resid     23 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name   HZ2)         (resid     24 and name   HH2)   2.300   0.500   0.500
assign   (resid     26 and name   HB*)         (resid     23 and name    HA)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     10 and name   HD*)         (resid     10 and name   HE*)   2.900   1.100   1.100
assign ((resid   23 and name HB*) or (resid   10 and name HB*) or (resid   14 and name HB*) or (resid   19 and name HB*))
(resid   22 and name HA)  
        3.900 2.100 2.100 ! incr to 6.0 after round 10. (72 viol avg 0.063)
assign   (resid     35 and name    HN)         (resid     34 and name  HG1*)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     38 and name    HN)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     29 and name    HA)   2.900   1.100   1.100
assign   ((resid     52 and name  HG2*)   or   (resid     44 and name  HG2*))
         ((resid     50 and name    HA)   or   (resid     40 and name    HA))
        3.400 1.600 1.600 ! incr to 5.0 after round 14. (30 viol avg 0.075)
assign   (resid     56 and name   HB*)         (resid     56 and name    HA)   2.300   0.500   0.500
assign   (resid     38 and name  HG**)       
  ((resid     34 and name    HB)   or   (resid     40 and name    HG))
   3.400   1.600   1.600
assign   ((resid     42 and name   HA*)   or   (resid     45 and name   HA*))
         (resid     44 and name    HA)  
        3.400 1.600 1.600 ! incr to 5.0 after round 7. (96 viol avg 0.243)
assign   (resid     53 and name  HG**)         (resid     57 and name   HB*)   3.400   1.600   1.600
assign ((resid   49 and name HG**) or (resid   53 and name HG**))
(resid   52 and name HA) 
 3.900 2.100 2.100 ! incr to 6.0 after round 5. (70 viol avg 0.367)
assign   (resid     37 and name   HB*)         (resid     37 and name    HG)   2.300   0.500   0.500
assign   (resid      3 and name    HA)         (resid      3 and name   HB*)   3.400   1.600   1.600
assign   (resid     54 and name    HN)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid     31 and name    HA)       
  ((resid     34 and name    HB)   or   (resid     32 and name   HG*)   or   (resid     31 and name    HB))
   2.900   1.100   1.100
assign (resid   60 and name HN) (resid   60 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (37 viol avg 0.063)
assign   (resid     35 and name    HN)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     62 and name   HD2)         (resid     62 and name   HB*)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     51 and name   HD1)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     35 and name   HD*)   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     41 and name    HG)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     61 and name    HA)         (resid     61 and name   HD2)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     29 and name    HA)   3.400   1.600   1.600
assign   (resid     20 and name   HB*)         (resid     20 and name    HA)   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     42 and name    HN)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid      3 and name    HA)         (resid      3 and name   HB*)   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid     16 and name    HN)         (resid     16 and name   HG*)   2.900   1.100   1.100
assign   (resid     48 and name    HN)         (resid     48 and name  HD**)   3.400   1.600   1.600
assign   (resid     19 and name   HB*)         (resid     19 and name    HA)   2.300   0.500   0.500
assign (resid   13 and name HA) (resid   16 and name HB*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (29 viol avg 0.177)
assign   (resid     35 and name   HD*)         (resid     34 and name  HG2*)   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     53 and name    HN)   or   (resid     57 and name    HN))
         (resid     54 and name    HA) 
    3.400   1.600   1.600
assign   (resid     24 and name   HD1)         (resid     24 and name   HB*)   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     53 and name  HG**)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     21 and name    HN)         (resid     21 and name   HB*)   2.300   0.500   0.500
assign   (resid     49 and name    HA)         (resid     48 and name   HB*)   3.400   1.600   1.600
assign   (resid     22 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name  HG**)         (resid     35 and name    HA)   3.400   1.600   1.600
assign   (resid     19 and name   HB*)         (resid     19 and name    HA)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid      8 and name    HN)         (resid      8 and name   HB*)   2.900   1.100   1.100
assign (resid   56 and name HD*) (resid   56 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (56 viol avg 0.137)
assign   (resid     47 and name   HA*)         (resid     46 and name   HB*)   3.400   1.600   1.600
assign   (resid     56 and name   HG*)         (resid     56 and name   HE*)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)        
 ((resid     35 and name    HA)   or   (resid     33 and name    HA)  or   (resid     31 and name    HA))
        2.900 1.100 1.100 ! incr to 5.0 after round 7. (56 viol avg 0.285)
assign   (resid     53 and name  HG**)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name    HG)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   ((resid     36 and name   HA)   or   (resid     30 and name    HA))
         (resid     33 and name   HB*)
   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     44 and name    HB)   2.900   1.100   1.100
assign   (resid      2 and name    HA)         (resid      2 and name   HB*)   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   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     32 and name   HD*)         (resid     29 and name   HB*)   3.900   2.100   2.100
assign   (resid     26 and name    HA)         (resid     26 and name   HB*)   2.300   0.500   0.500
assign   (resid     29 and name    HA)         (resid     29 and name   HB*)   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     14 and name    HN)         (resid     14 and name   HB*)   2.900   1.100   1.100
assign   (resid     25 and name    HA)         (resid     25 and name   HG*)   2.900   1.100   1.100
assign   (resid     48 and name  HD**)         (resid     48 and name   HB*)   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     41 and name    HG)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     45 and name   HA*)         (resid     45 and name    HN)   2.300   0.500   0.500
assign   (resid     35 and name    HN)         (resid     32 and name    HA)   3.400   1.600   1.600
assign   (resid     11 and name    HA)         (resid     11 and name   HE*)   3.400   1.600   1.600
assign   (resid     25 and name   HG*)         (resid     25 and name   HE*)   2.900   1.100   1.100
assign   (resid     55 and name    HE)         (resid     55 and name   HG*)   3.400   1.600   1.600
assign   (resid     31 and name  HD1*)         (resid     28 and name   HA*)   3.400   1.600   1.600
assign   ((resid     45 and name    HN)   or   (resid     47 and name    HN))
         (resid     48 and name  HD**)  
   3.900   2.100   2.100
assign   (resid     25 and name   HD*)         (resid     25 and name   HE*)   2.900   1.100   1.100
assign   (resid     16 and name    HA)         (resid     16 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     32 and name    HA)         (resid     32 and name   HG*)   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     38 and name    HN)         (resid     37 and name  HD**)   3.900   2.100   2.100
assign   (resid     55 and name    HA)        
 ((resid     54 and name   HB*)   or   (resid     59 and name   HB*))
   3.400   1.600   1.600
assign   (resid     35 and name    HN)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     51 and name   HB*)         (resid     48 and name  HD**)   3.900   2.100   2.100
assign   (resid     62 and name    HN)         (resid     62 and name   HB*)   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     32 and name   HD*)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     18 and name    HA)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name    HA)   2.300   0.500   0.500
assign   (resid     20 and name   HB*)         (resid     20 and name    HA)   2.300   0.500   0.500
assign   (resid     38 and name  HG**)         (resid     39 and name   HB*)   3.900   2.100   2.100
assign   (resid     49 and name  HG**)         (resid     50 and name    HA)   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     24 and name   HZ3)         (resid     24 and name   HH2)   2.300   0.500   0.500
assign   (resid     50 and name   HB*)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign (resid   50 and name HD**) (resid   54 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 1
assign (resid   50 and name HD**) (resid   54 and name HE*)  3.400 1.600 1.600 ! could be commented out due to major violation after round 1
assign   (resid     11 and name   HD*)         (resid     11 and name   HE*)   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     40 and name    HN)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     11 and name    HA)         (resid     11 and name   HD*)   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      2 and name    HN)         (resid      2 and name    HA)   3.400   1.600   1.600
assign   (resid     25 and name   HD*)         (resid     21 and name   HE*)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     37 and name    HG)   3.900   2.100   2.100
assign   (resid     13 and name   HB*)        
 ((resid     11 and name    HA)   or   (resid     10 and name    HA))
   3.400   1.600   1.600
assign   (resid     25 and name   HG*)         (resid     25 and name   HD*)   2.900   1.100   1.100
assign   (resid     27 and name   HB*)         (resid     31 and name  HD1*)   3.400   1.600   1.600
assign   (resid     59 and name    HA)         (resid     59 and name   HD2)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     57 and name    HN)         (resid     57 and name   HG*)   3.400   1.600   1.600
assign (resid   56 and name HD*) (resid   56 and name HA)  3.400 1.600 1.600 ! incr to 5.0 after round 10. (56 viol avg 0.137)
assign   (resid     24 and name   HD1)         (resid     24 and name    HA)   3.400   1.600   1.600
assign   (resid     18 and name   HG*)         (resid     22 and name  HG2*)   3.900   2.100   2.100
assign   (resid     43 and name  HG2*)         (resid     44 and name    HA)   3.400   1.600   1.600
assign   (resid     18 and name   HG*)        
 ((resid     15 and name    HA)   or   (resid     14 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     60 and name    HN)         (resid     60 and name   HB*)   2.900   1.100   1.100
assign   (resid     64 and name    HA)         (resid     64 and name   HB*)   2.900   1.100   1.100
assign   (resid      6 and name   HB*)         (resid      6 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     32 and name   HD*)      
   ((resid     34 and name  HG1*)   or   (resid     31 and name  HG1*))
   3.900   2.100   2.100
assign   (resid     64 and name    HA)         (resid     64 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     11 and name   HE*)   3.900   2.100   2.100
assign   (resid     26 and name    HA)         (resid     26 and name   HB*)   2.300   0.500   0.500
assign   (resid     57 and name   HG*)         (resid     57 and name   HE*)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     34 and name  HD1*)   3.900   2.100   2.100
assign   (resid     40 and name    HN)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     49 and name    HA)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     11 and name    HA)         (resid     11 and name   HD*)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     32 and name    HA)   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     56 and name    HN)         (resid     56 and name   HB*)   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     10 and name    HA)         (resid     10 and name   HE*)   3.900   2.100   2.100
assign   (resid     32 and name    HA)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign   (resid     15 and name  HD2*)         (resid     15 and name   HB*)   3.400   1.600   1.600
assign   (resid     22 and name    HN)         (resid     22 and name    HB)   2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     53 and name    HA)   3.400   1.600   1.600
assign   (resid     20 and name   HG*)         (resid     17 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name    HA)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     31 and name  HG2*)   3.900   2.100   2.100
assign   (resid     35 and name   HB*)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     35 and name    HN)         (resid     34 and name  HG1*)   3.400   1.600   1.600
assign   (resid     40 and name   HB*)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     40 and name    HG)         (resid     39 and name   HD*)   3.900   2.100   2.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     56 and name   HD*)         (resid     56 and name   HB*)   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     51 and name   HD1)   or   (resid     54 and name   HD*))
         (resid     55 and name   HG*)
   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     41 and name    HG)   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     22 and name  HG2*)   or   (resid     44 and name  HG2*))
         ((resid     23 and name    HA)   or   (resid     46 and name    HA))
   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign   (resid     43 and name  HG2*)         (resid     43 and name    HA)   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     50 and name  HD**)         (resid     50 and name    HA)   3.400   1.600   1.600
assign   (resid     32 and name   HB*)         (resid     32 and name   HG*)   2.300   0.500   0.500
assign   (resid     40 and name   HB*)         (resid     40 and name  HD**)   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     39 and name   HB*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   ((resid     14 and name    HA)   or   (resid     15 and name   HA))
         (resid     17 and name   HB*)
   3.400   1.600   1.600
assign   (resid      3 and name    HN)         (resid      3 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     51 and name   HD1)   3.900   2.100   2.100
assign   (resid     49 and name    HB)         (resid     46 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     53 and name  HG**)   3.900   2.100   2.100
assign   (resid     48 and name  HD**)         (resid     48 and name    HA)   3.400   1.600   1.600
assign   (resid     52 and name    HB)         (resid     49 and name  HG**)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     31 and name  HG2*)   3.400   1.600   1.600
assign   (resid     53 and name    HB)         (resid     53 and name    HA)   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      3 and name    HA)         (resid      3 and name   HB*)   3.400   1.600   1.600
assign   (resid     56 and name   HD*)         (resid     56 and name    HN)   3.400   1.600   1.600
assign   (resid     50 and name  HD**)         (resid     50 and name    HG)   2.300   0.500   0.500
assign   (resid     52 and name    HB)         (resid     49 and name    HA)   2.300   0.500   0.500
assign   (resid     38 and name    HN)         (resid     34 and name  HG2*)   3.900   2.100   2.100
assign   (resid     11 and name   HB*)         (resid     11 and name    HN)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     12 and name   HA*)   3.900   2.100   2.100
assign   (resid     18 and name    HN)         (resid     17 and name   HB*)   2.900   1.100   1.100
assign   (resid      8 and name    HN)         (resid      7 and name    HA)   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     25 and name    HA)         (resid     25 and name   HG*)   2.900   1.100   1.100
assign   (resid     63 and name    HA)         (resid     63 and name   HD2)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     31 and name    HN)   3.400   1.600   1.600
assign   (resid     56 and name   HB*)         (resid     56 and name    HA)   2.900   1.100   1.100
assign   (resid     11 and name    HN)         (resid     11 and name   HD*)   3.400   1.600   1.600
assign   (resid      7 and name    HN)         (resid      7 and name   HB*)   2.900   1.100   1.100
assign   (resid     15 and name    HA)        
 ((resid     18 and name   HB*)   or   (resid     16 and name   HB*))
   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     43 and name    HA)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     46 and name  HD2*)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   ((resid     30 and name  HD**)   or   (resid     31 and name  HD1*))
         ((resid     33 and name   HB*)   or   (resid     34 and name  HG2*))
   3.400   1.600   1.600
assign   (resid     23 and name    HN)         (resid     22 and name    HB)   2.900   1.100   1.100
assign   (resid     23 and name   HB*)         (resid     23 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     24 and name   HE1)         (resid     24 and name   HZ2)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     31 and name  HG2*)   3.900   2.100   2.100
assign   (resid     31 and name  HG1*)         (resid     31 and name  HD1*)   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     36 and name   HG*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   ((resid     50 and name   HB*)   or   (resid     51 and name   HB*))
         (resid     48 and name    HG)
   3.400   1.600   1.600
assign   (resid      4 and name   HA*)         (resid      5 and name    HN)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign (resid   40 and name HG) (resid   36 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (54 viol avg 0.086)
assign   (resid     18 and name   HG*)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid      3 and name   HB*)         (resid      3 and name   HG*)   2.300   0.500   0.500
assign   (resid     32 and name    HA)         (resid     35 and name   HD*)   3.400   1.600   1.600
assign   (resid     21 and name   HB*)         (resid     21 and name   HE*)   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     56 and name    HN)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   2.300   0.500   0.500
assign   ((resid     18 and name    HN)   or   (resid     19 and name    HN))
         (resid     18 and name   HB*)   
  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     24 and name   HE3)         (resid     24 and name   HB*)   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     21 and name   HD*)         (resid     21 and name    HA)   2.900   1.100   1.100
assign   ((resid     40 and name    HN)   or   (resid     54 and name    HN))
         ((resid     52 and name  HG2*)   or   (resid     44 and name  HG2*))
   3.900   2.100   2.100
assign   (resid     57 and name    HN)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   ((resid     32 and name   HD*)   or   (resid     38 and name    HA))
         (resid     34 and name  HG2*)  
   3.900   2.100   2.100
assign   (resid     35 and name   HB*)         (resid     35 and name   HE*)   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     34 and name  HG1*)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid     10 and name   HB*)         (resid     10 and name   HE*)   3.900   2.100   2.100
assign   ((resid     35 and name   HB*)   or   (resid     39 and name  HB*))
         (resid     38 and name  HG**)
   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   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     15 and name   HB*)         (resid     15 and name    HA)   2.300   0.500   0.500
assign   (resid     34 and name    HA)         (resid     34 and name  HD1*)   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     31 and name  HG1*)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     44 and name    HN)         (resid     44 and name    HA)   2.900   1.100   1.100
assign   (resid     50 and name  HD**)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name   HG*)         (resid     56 and name   HE*)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     38 and name    HB)   3.900   2.100   2.100
assign   (resid      3 and name   HB*)         (resid      3 and name   HG*)   2.900   1.100   1.100
assign   (resid      2 and name    HA)         (resid      3 and name    HN)   2.900   1.100   1.100
assign   (resid     25 and name   HD*)         (resid     21 and name   HE*)   3.400   1.600   1.600
assign   (resid     40 and name  HD**)         (resid     40 and name    HA)   3.400   1.600   1.600
assign   (resid     24 and name   HD1)         (resid     24 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name   HD*)         (resid     34 and name  HD1*)   3.900   2.100   2.100
assign   (resid     17 and name   HB*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     10 and name    HN)         (resid     10 and name   HD*)   3.900   2.100   2.100
assign   (resid     55 and name   HB*)         (resid     52 and name    HA)   3.400   1.600   1.600
assign   (resid     15 and name   HB*)         (resid     13 and name    HA)   3.400   1.600   1.600
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   3.900   2.100   2.100
assign   (resid     35 and name   HB*)         (resid     35 and name   HD*)   2.900   1.100   1.100
assign   ((resid     51 and name  HA)   or   (resid     52 and name    HB))
         (resid     50 and name  HD**)
   3.900   2.100   2.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     55 and name    HE)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     51 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
assign   (resid     59 and name   HD2)         (resid     59 and name   HB*)   3.400   1.600   1.600
assign (resid   35 and name HN) (resid   38 and name HB)  3.400 1.600 1.600 ! incr to 6.0 after round 1. (85 viol avg 1.848)
assign   (resid     34 and name  HG1*)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid     64 and name    HA)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     37 and name  HD**)   3.400   1.600   1.600
assign (resid   35 and name HD*) (resid   36 and name HG*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     38 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     20 and name   HG*)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign (resid   38 and name HN) (resid   38 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (76 viol avg 0.099)
assign   (resid     33 and name    HN)         (resid     32 and name    HA)   2.900   1.100   1.100
assign   (resid     10 and name   HB*)         (resid     10 and name   HE*)   3.900   2.100   2.100
assign   (resid     61 and name    HN)         (resid     61 and name   HB*)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     19 and name    HN)         (resid     19 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name   HE1)         (resid     24 and name   HD1)   3.400   1.600   1.600
assign   (resid     42 and name    HN)         (resid     42 and name   HA*)   2.300   0.500   0.500
assign   (resid     41 and name    HA)         (resid     41 and name  HD**)   2.900   1.100   1.100
assign   (resid     53 and name  HG**)         (resid     57 and name   HE*)   3.400   1.600   1.600
assign ((resid   35 and name HA) or (resid   37 and name HA))
(resid   38 and name HA) 
 3.400 1.600 1.600 ! incr to 6.0 after round 7. (65 viol avg 0.215)
assign   (resid     45 and name   HA*)         (resid     44 and name  HG2*)   3.900   2.100   2.100
assign   (resid     16 and name    HA)         (resid     15 and name    HA)   3.400   1.600   1.600
assign   (resid     37 and name  HD**)         (resid     37 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     50 and name  HD**)         (resid     46 and name   HB*)   3.400   1.600   1.600
assign   (resid     54 and name   HB*)         (resid     54 and name    HA)   2.300   0.500   0.500
assign   (resid     48 and name    HA)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     35 and name   HE*)   3.400   1.600   1.600
assign   (resid     48 and name    HN)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name   HB*)   2.900   1.100   1.100
assign   (resid     56 and name   HB*)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid      9 and name    HA)         (resid     10 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     40 and name   HB*)   3.400   1.600   1.600
assign   (resid     24 and name   HD1)         (resid     24 and name    HA)   3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     32 and name    HA)   3.400   1.600   1.600
assign   (resid     17 and name   HB*)         (resid     16 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     44 and name    HA)   3.900   2.100   2.100
assign   (resid     30 and name  HD**)         (resid     30 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     29 and name    HA)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     24 and name   HE3)         (resid     24 and name    HA)   3.400   1.600   1.600
assign   (resid     11 and name   HB*)         (resid     11 and name    HA)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      3 and name   HG*)   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     43 and name  HG2*)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   ((resid     49 and name    HB)   or   (resid     53 and name    HB))
         ((resid     50 and name    HG)   or   (resid     40 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     57 and name   HB*)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     18 and name   HG*)         (resid     22 and name  HG2*)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     42 and name   HA*)   3.400   1.600   1.600
assign   (resid     34 and name  HG1*)         (resid     34 and name    HA)   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     26 and name    HN)         (resid     26 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name    HA)         (resid     50 and name    HG)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     53 and name    HA)   2.900   1.100   1.100
assign   (resid     57 and name   HB*)         (resid     57 and name    HA)   2.300   0.500   0.500
assign   (resid     32 and name   HD*)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid      9 and name   HB*)         (resid     10 and name    HA)   3.400   1.600   1.600
assign   (resid     55 and name    HE)         (resid     55 and name   HG*)   3.400   1.600   1.600
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid      6 and name    HN)         (resid      6 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)      
   ((resid     34 and name  HG1*)   or   (resid     31 and name  HG1*))
   3.900   2.100   2.100
assign   (resid     30 and name    HN)         (resid     30 and name  HD**)   3.900   2.100   2.100
assign   (resid     18 and name   HG*)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     40 and name    HN)         (resid     40 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     21 and name   HB*)         (resid     22 and name  HG2*)   3.900   2.100   2.100
assign   (resid     10 and name    HA)         (resid     10 and name   HD*)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     41 and name   HB*)   3.400   1.600   1.600
assign   (resid     32 and name    HA)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   ((resid     35 and name    HA)   or   (resid     33 and name    HA))
         (resid     34 and name  HG2*) 
    3.400   1.600   1.600
assign   (resid     58 and name    HN)         (resid     58 and name   HA*)   2.300   0.500   0.500
assign   (resid     50 and name  HD**)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     56 and name   HD*)         (resid     53 and name    HA)   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     38 and name  HG**)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     59 and name   HD2)         (resid     59 and name   HB*)   2.900   1.100   1.100
assign   (resid     59 and name    HA)         (resid     59 and name   HB*)   2.300   0.500   0.500
assign   (resid     17 and name    HA)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     39 and name   HB*)         (resid     39 and name   HD*)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign   (resid     24 and name   HE3)         (resid     25 and name   HG*)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     37 and name    HA)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid     51 and name    HN)         (resid     50 and name    HG)   3.900   2.100   2.100
assign   (resid     57 and name    HN)         (resid     56 and name   HB*)   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     11 and name   HD*)         (resid     11 and name   HE*)   2.300   0.500   0.500
assign   (resid     16 and name    HA)         (resid     16 and name   HG*)   2.900   1.100   1.100
assign   (resid     28 and name    HN)         (resid     24 and name    HA)   2.900   1.100   1.100
assign   (resid      4 and name    HN)         (resid      4 and name   HA*)   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     10 and name    HA)         (resid     10 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     24 and name   HD1)         (resid     24 and name   HB*)   3.400   1.600   1.600
assign   (resid     48 and name    HN)         (resid     48 and name  HD**)   3.400   1.600   1.600
assign   (resid     20 and name   HG*)         (resid     17 and name   HB*)   3.400   1.600   1.600
assign   (resid     57 and name   HG*)         (resid     57 and name   HE*)   3.400   1.600   1.600
assign   (resid     51 and name   HB*)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name    HG)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     51 and name    HA)         (resid     48 and name  HD**)   3.900   2.100   2.100
assign   ((resid     34 and name    HB)   or   (resid     32 and name    HG*))
         (resid     35 and name    HA)
        3.400 1.600 1.600 ! incr to 5.0 after round 5. (84 viol avg 0.360)
assign   (resid     20 and name   HB*)         (resid     20 and name    HA)   2.300   0.500   0.500
assign   (resid     42 and name    HN)         (resid     38 and name  HG**)   3.900   2.100   2.100
assign   (resid     53 and name  HG**)         (resid     50 and name    HA)   3.400   1.600   1.600
assign   (resid     40 and name    HG)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign (resid   51 and name HA) (resid   51 and name HE3)  3.400 1.600 1.600 ! incr to 5.0 after round 5. (86 viol avg 0.354)
assign   (resid     23 and name   HB*)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name   HB*)         (resid     40 and name  HD**)   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     14 and name    HA)         (resid     14 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     30 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name   HB*)         (resid     37 and name  HD**)   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     34 and name    HA)         (resid     34 and name  HG2*)   2.900   1.100   1.100
assign   (resid     29 and name    HA)         (resid     29 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     53 and name    HA)   2.300   0.500   0.500
assign   (resid     19 and name   HB*)         (resid     19 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     51 and name   HB*)   3.900   2.100   2.100
assign   ((resid     18 and name    HN)   or   (resid     19 and name    HN))
         (resid     18 and name   HB*)  
   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name  HD**)         (resid     37 and name    HG)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     41 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     53 and name    HN)         (resid     49 and name    HA)   3.400   1.600   1.600
assign   (resid     48 and name    HG)         (resid     48 and name   HB*)   2.300   0.500   0.500
assign   (resid     50 and name   HB*)         (resid     53 and name    HB)   3.400   1.600   1.600
assign   (resid     38 and name    HN)         (resid     38 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      6 and name    HN)         (resid      6 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     41 and name    HA)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid      4 and name   HA*)         (resid      5 and name    HN)   3.400   1.600   1.600
assign   (resid     45 and name    HN)         (resid     44 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HA)   2.300   0.500   0.500
assign   (resid     52 and name    HB)         (resid     56 and name   HD*)   3.400   1.600   1.600
assign   (resid     52 and name    HN)         (resid     52 and name    HA)   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     32 and name    HA)         (resid     32 and name   HB*)   2.300   0.500   0.500
assign   (resid     36 and name   HB*)         (resid     36 and name   HG*)   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     57 and name   HB*)         (resid     54 and name    HA)   2.900   1.100   1.100
assign (resid   14 and name HN) (resid   14 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (70 viol avg 0.089)
assign   (resid     55 and name   HG*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     11 and name   HB*)         (resid     11 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name    HA)         (resid     57 and name   HG*)   3.900   2.100   2.100
assign   (resid     31 and name    HN)         (resid     31 and name  HG1*)   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     18 and name    HN)         (resid     17 and name   HB*)   2.900   1.100   1.100
assign   (resid     13 and name   HB*)         (resid     12 and name   HA*)   3.900   2.100   2.100
assign   (resid     24 and name   HE3)         (resid     25 and name    HA)   3.400   1.600   1.600
assign   (resid     52 and name    HA)         (resid     51 and name   HE3)   3.400   1.600   1.600
assign   (resid     41 and name    HA)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   ((resid     61 and name    HA)   or   (resid     62 and name    HA))
         ((resid     61 and name   HB*)   or   (resid     62 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     42 and name   HA*)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign   (resid      3 and name    HA)         (resid      3 and name   HG*)   3.400   1.600   1.600
assign   (resid     40 and name   HB*)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign (resid   36 and name HB*) (resid   33 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (32 viol avg 0.119)
assign   (resid     43 and name    HA)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   (resid     54 and name   HB*)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   ((resid     61 and name    HA)   or   (resid     62 and name    HA))
         ((resid     61 and name   HB*)   or   (resid     62 and name   HB*))
   2.300   0.500   0.500
assign   (resid     31 and name    HN)         (resid     29 and name   HB*)   3.900   2.100   2.100
assign   (resid     38 and name    HA)         (resid     37 and name    HA)   3.400   1.600   1.600
assign   ((resid     30 and name  HD**)   or   (resid     31 and name  HD1*))
         (resid     29 and name    HA)  
   3.900   2.100   2.100
assign (resid   22 and name HB) (resid   22 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (37 viol avg 0.147)
assign   (resid     21 and name    HN)         (resid     21 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HD*)         (resid     51 and name   HH2)   3.400   1.600   1.600
assign (resid   40 and name HG) (resid   36 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (54 viol avg 0.086)
assign   (resid     39 and name   HD*)         (resid     40 and name    HA)   3.400   1.600   1.600
assign   (resid     52 and name  HG2*)         (resid     49 and name    HA)   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     35 and name    HN)   or   (resid     37 and name    HN))
         (resid     38 and name    HA)   
        3.900 2.100 2.100 ! incr to 6.0 after round 7. (59 viol avg 0.190)
assign   ((resid     34 and name    HN)   or   (resid     29 and name    HN))
         (resid     31 and name  HG2*)   
  3.900   2.100   2.100
assign   (resid     55 and name   HB*)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     51 and name    HA)
         ((resid     51 and name   HD1)   or   (resid     54 and name   HD*))
     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     56 and name    HN)         (resid     56 and name   HB*)   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    HA)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     55 and name    HN)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid      3 and name   HB*)         (resid      3 and name   HG*)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     54 and name   HB*)         (resid     54 and name    HA)   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     25 and name    HN)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid     45 and name    HN)         (resid     44 and name    HB)   2.900   1.100   1.100
assign ((resid   40 and name HG) or (resid   41 and name HB*) or (resid   56 and name HB*))
((resid   44 and name HG2*)  or (resid   52 and name HG2*))
        3.400 1.600 1.600 ! incr to 6.0 after round 7. (54 viol avg 0.176)
assign   (resid     13 and name   HB*)         (resid     14 and name    HN)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         
((resid     56 and name   HD*)   or   (resid     57 and name   HD*))
   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     34 and name  HG2*)   3.900   2.100   2.100
assign   (resid     48 and name  HD**)         (resid     51 and name   HE3)   3.900   2.100   2.100
assign   ((resid     34 and name    HN)   or   (resid     29 and name    HN))
         (resid     33 and name   HB*) 
    2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)       
  ((resid     35 and name    HA)   or   (resid     33 and name    HA))
   3.400   1.600   1.600
assign   (resid     46 and name   HB*)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign (resid   52 and name HG2*) (resid   51 and name HB*)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (81 viol avg 0.232)
assign   (resid     55 and name    HN)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     42 and name    HN)         (resid     38 and name    HA)   2.900   1.100   1.100
!assign (resid   52 and name HG2*) (resid   55 and name HD*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign   (resid     48 and name    HN)         (resid     48 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     25 and name    HA)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name    HN)   2.900   1.100   1.100
assign   (resid     40 and name    HG)         (resid     40 and name  HD**)   2.900   1.100   1.100
assign (resid   43 and name HB) (resid   44 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (80 viol avg 0.129)
assign   (resid     59 and name    HN)         (resid     59 and name   HB*)   2.900   1.100   1.100
assign   (resid     51 and name   HH2)         (resid     51 and name   HZ3)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name  HG2*)   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     21 and name   HB*)      
   ((resid     25 and name   HG*)   or   (resid     22 and name  HG2*))
   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     55 and name    HA)   2.900   1.100   1.100
assign (resid   33 and name HN) (resid   31 and name HG1*)  3.900 2.100 2.100 ! incr to 6.0 after round 4. (58 viol avg 0.555)
assign   (resid     25 and name    HN)         (resid     25 and name   HG*)   3.400   1.600   1.600
assign   (resid     48 and name  HD**)         (resid     48 and name    HA)   2.900   1.100   1.100
assign   (resid     26 and name    HN)         (resid     25 and name   HB*)   3.400   1.600   1.600
assign   (resid     22 and name    HA)         (resid     21 and name   HE*)   3.900   2.100   2.100
assign   (resid     32 and name    HA)         (resid     32 and name   HG*)   2.900   1.100   1.100
!assign (resid   31 and name HN) (resid   34 and name HG2*)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign (resid   36 and name HE*) 
 ((resid   33 and name HA) or (resid   35 and name HA) or (resid   37 and name HA))
  3.400 1.600 1.600 ! incr to 6.0 after round 11. (61 viol avg 0.088)
assign   (resid     58 and name   HA*)         (resid     57 and name   HB*)   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     35 and name   HD*)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     40 and name    HA)   3.400   1.600   1.600
assign   (resid     47 and name    HN)         (resid     48 and name   HB*)   3.900   2.100   2.100
assign   (resid     53 and name    HN)         (resid     52 and name    HB)   2.900   1.100   1.100
assign   (resid     39 and name    HN)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   ((resid     25 and name   HG*)   or   (resid     22 and name  HG2*))
         (resid     21 and name   HE*) 
    3.900   2.100   2.100
assign   (resid     44 and name  HG2*)         (resid     41 and name    HA)   3.900   2.100   2.100
assign   (resid      3 and name    HN)         (resid      3 and name    HA)   3.400   1.600   1.600
assign   (resid     13 and name   HB*)         (resid     10 and name    HA)   3.400   1.600   1.600
assign   (resid     51 and name   HE1)         (resid     51 and name   HZ2)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     41 and name  HD**)   3.400   1.600   1.600
assign   (resid     43 and name    HA)         (resid     39 and name   HD*)   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     33 and name    HN)         (resid     32 and name   HB*)   3.400   1.600   1.600
assign   (resid     37 and name  HD**)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     60 and name    HN)         (resid     60 and name   HB*)   2.900   1.100   1.100
assign   (resid     30 and name    HA)         (resid     30 and name   HB*)   2.300   0.500   0.500
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     55 and name    HN)         (resid     55 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name    HA)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   (resid     20 and name   HB*)         (resid     17 and name   HB*)   3.400   1.600   1.600
assign (resid   16 and name HG*) (resid   20 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (26 viol avg 0.094)
assign   (resid     50 and name   HB*)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   (resid     55 and name    HE)         (resid     52 and name    HA)   3.400   1.600   1.600
assign   (resid     21 and name   HD*)         (resid     21 and name   HE*)   2.300   0.500   0.500
assign   (resid     55 and name    HN)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     51 and name   HB*)   3.900   2.100   2.100
assign   (resid     16 and name   HG*)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     56 and name   HG*)         (resid     56 and name   HE*)   3.400   1.600   1.600
assign   (resid      6 and name   HB*)         (resid      6 and name    HA)   2.300   0.500   0.500
assign   (resid     45 and name    HN)         (resid     41 and name    HA)   3.400   1.600   1.600
assign   (resid     52 and name  HG2*)         (resid     51 and name   HH2)   3.900   2.100   2.100
assign   (resid     41 and name    HG)         (resid     41 and name    HA)   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     15 and name  HD2*)         (resid     15 and name   HB*)   2.900   1.100   1.100
assign   (resid     22 and name    HN)         (resid     22 and name  HG2*)   3.400   1.600   1.600
assign   (resid     44 and name  HG2*)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     56 and name   HB*)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid      6 and name    HN)         (resid      6 and name    HA)   2.900   1.100   1.100
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   3.900   2.100   2.100
assign (resid   52 and name HA) (resid   55 and name HD*)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (64 viol avg 0.139)
assign   (resid     57 and name   HB*)         (resid     57 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     34 and name    HA)         (resid     37 and name  HD**)   3.400   1.600   1.600
assign   (resid     49 and name    HN)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name    HB)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     28 and name    HN)         (resid     28 and name   HA*)   2.300   0.500   0.500
assign   (resid     55 and name   HB*)         (resid     55 and name    HE)   3.900   2.100   2.100
assign   (resid     44 and name  HG2*)         (resid     44 and name    HB)   2.300   0.500   0.500
assign   (resid     24 and name   HD1)         (resid     24 and name   HB*)   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   20 and name HN) (resid   20 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (95 viol avg 0.116)
assign   (resid     54 and name   HD*)         (resid     54 and name    HA)   3.400   1.600   1.600
assign   (resid     45 and name   HA*)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     22 and name  HG2*)         (resid     21 and name   HE*)   3.900   2.100   2.100
assign   (resid     54 and name    HN)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid     41 and name    HA)         (resid     44 and name    HB)   2.900   1.100   1.100
assign   (resid     31 and name  HG1*)         (resid     35 and name   HE*)   3.900   2.100   2.100
assign   (resid     52 and name    HB)         (resid     52 and name    HA)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name  HG2*)   3.400   1.600   1.600
assign   (resid     56 and name   HD*)         (resid     56 and name   HG*)   2.300   0.500   0.500
assign   (resid     64 and name    HN)         (resid     64 and name   HB*)   2.900   1.100   1.100
assign   (resid     30 and name  HD**)         (resid     31 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name   HG*)         (resid     36 and name    HA)   2.900   1.100   1.100
assign   (resid     51 and name   HH2)         (resid     51 and name   HZ2)   2.300   0.500   0.500
assign   (resid     32 and name   HD*)         (resid     32 and name   HG*)   2.900   1.100   1.100
assign   (resid     52 and name    HB)         (resid     49 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     36 and name   HB*)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     33 and name   HB*)         (resid     33 and name    HA)   2.300   0.500   0.500
assign   (resid     54 and name   HB*)         (resid     55 and name   HD*)   3.400   1.600   1.600
assign   (resid     35 and name   HD*)         (resid     32 and name   HG*)   3.900   2.100   2.100
assign   ((resid     46 and name   HB*)   or   (resid     15 and name   HB*))
         ((resid     42 and name   HA*)   or   (resid     12 and name   HA*))
   2.900   1.100   1.100
assign   ((resid     27 and name    HN)   or   (resid     28 and name    HN))
         (resid     27 and name    HA)  
   2.300   0.500   0.500
assign   (resid     36 and name   HG*)         (resid     33 and name    HA)   3.400   1.600   1.600
assign (resid   26 and name HN) (resid   26 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (38 viol avg 0.094)
assign   (resid     36 and name   HB*)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     36 and name   HE*)   3.400   1.600   1.600
assign   (resid     36 and name   HG*)         (resid     36 and name   HE*)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     38 and name    HB)   2.300   0.500   0.500
assign   (resid     51 and name   HE3)         (resid     51 and name   HZ3)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name    HN)   3.400   1.600   1.600
assign   (resid     35 and name    HN)         (resid     32 and name   HB*)   3.900   2.100   2.100
assign   (resid     57 and name   HD*)         (resid     57 and name   HE*)   2.900   1.100   1.100
assign   ((resid     19 and name   HB*)   or   (resid     23 and name   HB*))
         (resid     22 and name    HB)  
   3.400   1.600   1.600
assign   (resid     24 and name   HE3)         (resid     24 and name    HA)   3.400   1.600   1.600
assign   (resid     49 and name    HN)         (resid     49 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     14 and name    HA)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   (resid     25 and name   HG*)         (resid     25 and name   HE*)   2.900   1.100   1.100
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name    HG)         (resid     37 and name    HA)   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     35 and name    HA)   2.300   0.500   0.500
assign   (resid     44 and name  HG2*)         (resid     44 and name    HA)   2.900   1.100   1.100
assign   (resid     61 and name   HD2)         (resid     61 and name   HB*)   2.900   1.100   1.100
assign   (resid     27 and name   HB*)         (resid     27 and name    HA)   2.300   0.500   0.500
assign   (resid     54 and name   HB*)         (resid     54 and name    HA)   2.300   0.500   0.500
assign   (resid     18 and name    HN)         (resid     17 and name    HA)   2.900   1.100   1.100
assign   ((resid     49 and name  HG**)   or   (resid     43 and name  HG2*))
         (resid     46 and name    HA) 
    3.400   1.600   1.600
assign   (resid     36 and name   HE*)         (resid     40 and name  HD**)   3.400   1.600   1.600
assign   (resid     31 and name  HG1*)         (resid     28 and name   HA*)   3.400   1.600   1.600
assign   (resid     60 and name   HB*)         (resid     60 and name    HA)   2.300   0.500   0.500
assign   (resid     30 and name    HA)         (resid     30 and name   HB*)   2.900   1.100   1.100
assign   (resid     55 and name   HG*)         (resid     54 and name   HB*)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     38 and name    HA)         (resid     41 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     57 and name    HN)         (resid     56 and name    HA)   3.400   1.600   1.600
assign   (resid     13 and name   HB*)         (resid     13 and name    HA)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     34 and name    HB)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     30 and name   HB*)   3.400   1.600   1.600
assign (resid   36 and name HE*) 
 ((resid   37 and name HD**) or (resid   40 and name HB*))
  3.400 1.600 1.600 ! could be commented out due to major violation after round 12
assign   ((resid     61 and name    HA)   or   (resid     62 and name    HA))
         ((resid     61 and name   HB*)   or   (resid     62 and name   HB*))
   2.300   0.500   0.500
assign   (resid     52 and name    HB)         (resid     52 and name    HA)   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     49 and name  HG**)
         ((resid     52 and name  HB)   or   (resid     46 and name    HA))
   3.400   1.600   1.600
assign   ((resid     37 and name   HB*)   or   (resid     32 and name   HB*))
         (resid     33 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      8 and name    HN)         (resid      8 and name   HB*)   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     55 and name   HB*)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     52 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     50 and name  HD**)   2.900   1.100   1.100
assign   (resid     48 and name    HA)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign (resid   29 and name HA) 
((resid   30 and name HB*) or (resid   25 and name HB*))
 3.400 1.600 1.600 ! incr to 1.60 after round 9. (74 viol avg 0.115)
assign   ((resid     52 and name  HA)   or   (resid     47 and name   HA*))
         (resid     50 and name  HD**)
   3.400   1.600   1.600
assign   (resid     25 and name   HG*)      
   ((resid     24 and name   HZ3)   or   (resid     21 and name   HD*))
   3.900   2.100   2.100
assign   (resid     57 and name   HG*)         (resid     57 and name    HA)   3.400   1.600   1.600
assign   (resid     21 and name   HB*)         (resid     21 and name   HE*)   3.900   2.100   2.100
assign   (resid     53 and name  HG**)         (resid     53 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     35 and name    HN)         (resid     38 and name  HG**)   3.900   2.100   2.100
assign   (resid     43 and name  HG2*)         (resid     39 and name   HD*)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     10 and name   HB*)         (resid     10 and name   HE*)   3.900   2.100   2.100
assign ((resid   49 and name HN) or (resid   35 and name HN))
  ((resid   53 and name HG**) or (resid   38 and name HG**))
    3.400 1.600 1.600 ! incr to 6.0 after round 10. (50 viol avg 0.079)
assign   (resid      9 and name   HB*)         (resid     10 and name    HA)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     40 and name    HG)   3.900   2.100   2.100
assign   (resid     58 and name   HA*)         (resid     56 and name    HN)   3.900   2.100   2.100
assign   (resid     19 and name   HB*)         (resid     19 and name    HA)   2.300   0.500   0.500
assign   (resid     25 and name    HA)         (resid     25 and name   HB*)   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     52 and name  HG2*)         (resid     56 and name   HE*)   3.400   1.600   1.600
assign   (resid     59 and name    HN)         (resid     59 and name    HA)   2.900   1.100   1.100
assign   (resid     16 and name    HN)         (resid     16 and name    HA)   2.900   1.100   1.100
assign   (resid     45 and name   HA*)         (resid     48 and name   HB*)   2.900   1.100   1.100
assign   (resid     49 and name    HN)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     36 and name    HA)   3.400   1.600   1.600
assign   (resid     58 and name   HA*)         (resid     57 and name    HN)   3.900   2.100   2.100
assign   (resid      9 and name    HN)         (resid      8 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name   HB*)         (resid     55 and name    HA)   2.300   0.500   0.500
assign   ((resid     53 and name    HN)   or   (resid     57 and name    HN))
         (resid     54 and name   HB*) 
    3.400   1.600   1.600
assign   (resid     32 and name   HD*)         (resid     31 and name  HG2*)   3.400   1.600   1.600
assign   (resid      5 and name    HN)         (resid      5 and name   HA*)   2.300   0.500   0.500
assign   (resid     35 and name   HD*)         (resid     35 and name    HA)   3.400   1.600   1.600
assign   (resid     41 and name  HD**)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid      3 and name    HA)         (resid      3 and name   HB*)   3.400   1.600   1.600
assign   (resid     21 and name    HN)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     21 and name   HD*)         (resid     21 and name   HE*)   2.300   0.500   0.500
assign   (resid     21 and name   HB*)         (resid     21 and name   HD*)   2.900   1.100   1.100
assign (resid   55 and name HA) 
((resid   51 and name HD1) or (resid   51 and name HH2) or (resid   54 and name HD*))
        3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     49 and name    HN)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   ((resid     49 and name    HB)   or   (resid     53 and name   HB))
         (resid     50 and name   HB*)
   3.400   1.600   1.600
assign   (resid      7 and name    HN)         (resid      7 and name   HB*)   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      9 and name    HN)         (resid      9 and name    HA)   2.300   0.500   0.500
assign   (resid     38 and name    HN)         (resid     36 and name   HE*)   3.900   2.100   2.100
assign   (resid     20 and name   HB*)         (resid     17 and name    HA)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     34 and name    HA)   3.900   2.100   2.100
assign   (resid     36 and name   HB*)         (resid     36 and name    HA)   2.300   0.500   0.500
assign   (resid     19 and name   HB*)         (resid     19 and name    HA)   2.900   1.100   1.100
assign   (resid     53 and name    HA)         (resid     56 and name   HB*)   2.300   0.500   0.500
assign   (resid     51 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign (resid   49 and name HB) (resid   52 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (79 viol avg 0.076)
!assign (resid   52 and name HG2*) (resid   50 and name HD**)  3.900 2.100 2.100 ! could be commented out due to major violation after round 7
assign   (resid      8 and name   HB*)         (resid      8 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     36 and name   HG*)   3.400   1.600   1.600
assign (resid   39 and name HA) 
   ((resid   41 and name HD**) or (resid   34 and name HG2*))
    3.900 2.100 2.100 ! incr to 6.0 after round 3. (50 viol avg 0.757)
assign   (resid     37 and name    HA)         (resid     37 and name    HG)   3.400   1.600   1.600
assign   (resid     46 and name    HA)         (resid     46 and name   HB*)   2.300   0.500   0.500
assign   ((resid     52 and name    HA)   or   (resid     47 and name   HA*))
         (resid     50 and name    HG)   
  3.400   1.600   1.600
assign   (resid     46 and name   HB*)         (resid     44 and name    HA)   3.900   2.100   2.100
assign   (resid     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name    HA)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     37 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     32 and name   HD*)         (resid     32 and name   HG*)   2.300   0.500   0.500
assign   (resid      9 and name   HB*)         (resid      9 and name    HA)   2.300   0.500   0.500
assign   (resid     40 and name    HN)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   ((resid     61 and name    HA)   or   (resid     62 and name    HA))
         ((resid     61 and name   HB*)   or   (resid     62 and name   HB*))
   2.300   0.500   0.500
assign   (resid     21 and name   HB*)         (resid     21 and name    HA)   2.300   0.500   0.500
assign   (resid     48 and name    HA)         (resid     51 and name   HE3)   3.400   1.600   1.600
assign   (resid     30 and name    HN)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid     14 and name    HA)         (resid     17 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     38 and name  HG**)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     20 and name   HG*)         (resid     17 and name    HA)   3.400   1.600   1.600
assign   (resid     38 and name    HN)         (resid     37 and name   HB*)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (resid     31 and name  HD1*)   3.400   1.600   1.600
assign   (resid     28 and name    HN)         (resid     29 and name   HB*)   3.900   2.100   2.100
assign   (resid     56 and name    HA)         (resid     56 and name   HG*)   3.400   1.600   1.600
assign   (resid     23 and name   HB*)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   ((resid     48 and name    HN)   or   (resid     37 and name    HN))
         ((resid     37 and name    HG)   or   (resid     48 and name    HG))
   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     40 and name    HA)   3.900   2.100   2.100
assign   (resid     46 and name  HD2*)         (resid     46 and name   HB*)   3.400   1.600   1.600
assign   (resid     46 and name  HD2*)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign ((resid   32 and name HG*) or (resid   36 and name HE*))
    (resid   35 and name HE*)  
    3.900 2.100 2.100 ! could be commented out due to major violation after round 10
assign   (resid     21 and name    HN)         (resid     20 and name   HB*)   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  HD**)   or   (resid     53 and name  HG**))
         (resid     54 and name   HB*)   
  3.900   2.100   2.100

!!!!!!!!!!!!!!!!!!
!!!NOESY from 13CHSQC-NOESY-15NHSQC
!!!!!!!!!!!!!!!!!!
assign   (resid     21 and name    HN)         (resid     22 and name  HG2*)   3.900   2.100   2.100
assign   (resid     31 and name    HN)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid      3 and name    HN)         (resid      3 and name   HG*)   3.400   1.600   1.600
assign (resid   43 and name HN) (resid   43 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (53 viol avg 0.118)
assign   (resid     23 and name    HN)         (resid     22 and name    HB)   2.900   1.100   1.100
assign   (resid     49 and name  HG**)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     42 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     42 and name    HN)         (resid     41 and name    HA)   3.400   1.600   1.600
assign   (resid     64 and name    HA)         (resid     64 and name    HN)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     53 and name    HA)   2.300   0.500   0.500
assign   (resid     36 and name    HN)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     28 and name   HA*)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     35 and name   HB*)   3.400   1.600   1.600
assign   (resid     34 and name    HN)        
 ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
   3.400   1.600   1.600
assign   (resid     42 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     19 and name   HB*)         (resid     18 and name    HN)   3.400   1.600   1.600
assign   (resid     58 and name    HN)         (resid     57 and name   HD*)   3.400   1.600   1.600
assign   (resid      9 and name    HN)         (resid      9 and name    HA)   2.300   0.500   0.500
assign   (resid      6 and name    HN)         (resid      6 and name   HB*)   2.900   1.100   1.100
assign   (resid      7 and name    HN)         (resid      6 and name    HA)   2.300   0.500   0.500
assign   (resid     52 and name    HB)         (resid     52 and name    HN)   2.900   1.100   1.100
assign (resid   16 and name HN) (resid   15 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (68 viol avg 0.331)
assign   (resid     46 and name  HD2*)         (resid     42 and name   HA*)   3.400   1.600   1.600
assign   (resid     49 and name    HN)         (resid     46 and name    HA)   2.900   1.100   1.100
assign (resid   19 and name HN) (resid   19 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (82 viol avg 0.121)
assign   (resid     35 and name    HN)         (resid     32 and name    HA)   3.400   1.600   1.600
assign   (resid     29 and name    HN)         (resid     30 and name    HA)   3.900   2.100   2.100
assign   (resid      2 and name    HN)         (resid      2 and name   HB*)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     18 and name    HN)         (resid     15 and name    HA)   2.900   1.100   1.100
assign (resid   46 and name HN) (resid   46 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 13. (50 viol avg 0.092)
assign   (resid     55 and name    HA)         (resid     59 and name    HN)   3.400   1.600   1.600
assign   ((resid     53 and name    HA)   or   (resid     52 and name    HA))
         (resid     56 and name    HN) 
  2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     54 and name   HB*)   2.300   0.500   0.500
assign   (resid     35 and name    HN)         (resid     36 and name   HB*)   3.400   1.600   1.600
assign   (resid     15 and name  HD2*)         (resid     15 and name   HB*)   2.900   1.100   1.100
assign   (resid     39 and name    HN)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid      4 and name    HN)         (resid      3 and name    HA)   2.300   0.500   0.500
assign   (resid     56 and name    HN)         (resid     56 and name   HG*)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign (resid   8 and name HN) (resid   8 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 11. (42 viol avg 0.077)
assign   (resid     58 and name   HA*)         (resid     57 and name    HN)   3.900   2.100   2.100
assign   (resid     13 and name    HN)         (resid     14 and name   HB*)   3.900   2.100   2.100
assign   (resid     41 and name    HN)         (resid     44 and name  HG2*)   3.900   2.100   2.100
assign   (resid     33 and name    HN)         (resid     32 and name   HG*)   3.400   1.600   1.600
assign   (resid     46 and name  HD2*)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   (resid     40 and name    HN)       
  ((resid     40 and name    HA)   or   (resid     37 and name    HA))
        2.900 1.100 1.100 ! incr to 4.0 after round 13. (25 viol avg 0.065)
assign   (resid     41 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     44 and name    HN)         (resid     44 and name    HB)   2.300   0.500   0.500
assign   (resid     43 and name    HN)         (resid     42 and name   HA*)   2.900   1.100   1.100
assign   (resid     27 and name    HN)         (resid     24 and name   HB*)   3.400   1.600   1.600
assign   (resid     57 and name    HN)         (resid     56 and name    HA)   3.400   1.600   1.600
assign   (resid     18 and name   HG*)         (resid     18 and name    HN)   2.300   0.500   0.500
assign   (resid     39 and name    HN)      
   ((resid     37 and name   HB*)   or   (resid     40 and name   HB*))
   3.400   1.600   1.600
assign   (resid     43 and name    HN)         (resid     40 and name    HA)   2.900   1.100   1.100
assign   (resid     43 and name    HN)         (resid     41 and name   HB*)   3.900   2.100   2.100
assign   (resid     49 and name    HN)         (resid     49 and name    HB)   2.300   0.500   0.500
assign   (resid     31 and name    HN)         (resid     31 and name  HG1*)   2.900   1.100   1.100
assign   (resid     23 and name    HN)         (resid     20 and name    HA)   2.900   1.100   1.100
assign   (resid     35 and name    HN)       
  ((resid     34 and name  HG1*)   or   (resid     31 and name  HG1*))
   3.400   1.600   1.600
assign   (resid     17 and name    HN)         (resid     15 and name    HA)   3.400   1.600   1.600
assign   (resid     50 and name   HB*)         (resid     50 and name    HN)   2.900   1.100   1.100
assign (resid   49 and name HB) (resid   52 and name HN)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (79 viol avg 0.076)
assign   (resid     31 and name    HN)         (resid     31 and name  HD1*)   3.400   1.600   1.600
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign   (resid     26 and name    HN)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid     47 and name    HN)         (resid     49 and name  HG**)   3.900   2.100   2.100
assign   ((resid     53 and name  HG**)   or   (resid     52 and name  HG2*))
         (resid     56 and name    HN)  
   3.900   2.100   2.100
assign   (resid     36 and name    HN)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign (resid   44 and name HN) (resid   44 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (99 viol avg 0.126)
assign   (resid     41 and name    HN)         (resid     41 and name  HD**)   3.900   2.100   2.100
assign   (resid     53 and name    HN)         (resid     53 and name    HB)   2.300   0.500   0.500
assign   (resid     51 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     34 and name    HA)         (resid     38 and name    HN)   3.400   1.600   1.600
assign (resid   22 and name HN) (resid   22 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (55 viol avg 0.080)
assign   (resid      3 and name    HN)         (resid      3 and name    HA)   2.300   0.500   0.500
assign   (resid     34 and name    HA)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid     45 and name    HN)         (resid     48 and name   HB*)   3.900   2.100   2.100
assign   (resid     38 and name    HN)         (resid     37 and name    HA)   2.900   1.100   1.100
assign   (resid     17 and name   HB*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign (resid   26 and name HN) (resid   22 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 13. (26 viol avg 0.124)
assign   (resid      3 and name    HN)         (resid      3 and name   HB*)   2.900   1.100   1.100
assign   (resid     27 and name    HN)         (resid     28 and name   HA*)   3.400   1.600   1.600
assign   (resid     57 and name    HN)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     47 and name    HN)      
   ((resid     43 and name  HG2*)   or   (resid     44 and name  HG2*))
   3.900   2.100   2.100
assign   (resid     40 and name    HN)       
  ((resid     38 and name  HG**)   or   (resid     43 and name  HG2*)   or   (resid     44 and name  HG2*))
   3.900   2.100   2.100
assign   (resid     46 and name    HN)       
  ((resid     44 and name    HB)   or   (resid     43 and name    HB))
   3.400   1.600   1.600
assign   (resid     54 and name    HN)         (resid     50 and name   HB*)   3.900   2.100   2.100
assign   (resid     47 and name    HN)         (resid     47 and name   HA*)   2.300   0.500   0.500
assign   ((resid     52 and name  HG2*)   or   (resid     53 and name    HG**))
   (resid     55 and name    HN)
   3.900   2.100   2.100
assign   (resid     55 and name    HN)         (resid     54 and name    HA)   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     34 and name  HD1*)   3.900   2.100   2.100
assign   (resid     43 and name    HN)         (resid     43 and name    HB)   2.900   1.100   1.100
assign   (resid     64 and name    HN)         (resid     64 and name   HB*)   2.900   1.100   1.100
assign   (resid      4 and name    HN)         (resid      3 and name   HG*)   3.400   1.600   1.600
assign   (resid     38 and name    HN)         (resid     37 and name   HB*)   2.900   1.100   1.100
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   3.400   1.600   1.600
assign   (resid     53 and name    HN)         (resid     53 and name  HG**)   2.900   1.100   1.100
assign   (resid     49 and name    HN)         (resid     52 and name    HB)   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     30 and name    HN)         (resid     29 and name   HB*)   2.900   1.100   1.100
assign   (resid     16 and name    HN)         (resid     16 and name   HG*)   2.900   1.100   1.100
assign (resid   13 and name HN) (resid   13 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (69 viol avg 0.141)
assign   (resid     59 and name    HN)         (resid     59 and name    HA)   2.300   0.500   0.500
assign (resid   47 and name HN) (resid   48 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 9. (76 viol avg 0.151)
assign   (resid     55 and name    HA)         (resid     55 and name    HE)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     38 and name    HN)   3.400   1.600   1.600
assign   (resid     58 and name   HA*)         (resid     60 and name    HN)   3.400   1.600   1.600
assign   (resid     52 and name    HN)         (resid     51 and name   HB*)   2.900   1.100   1.100
assign   (resid     48 and name    HN)         (resid     48 and name    HA)   2.300   0.500   0.500
assign   (resid     39 and name    HN)         (resid     38 and name    HB)   2.900   1.100   1.100
assign   (resid     35 and name   HB*)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     42 and name    HN)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     37 and name    HG)   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     28 and name    HN)         (resid     28 and name   HA*)   2.300   0.500   0.500
assign   (resid     42 and name    HN)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   (resid     40 and name    HN)         (resid     40 and name    HG)   2.900   1.100   1.100
assign (resid   16 and name HN) (resid   16 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (73 viol avg 0.092)
assign   (resid      7 and name    HN)       
  ((resid      4 and name   HA*)   or   (resid      5 and name   HA*))
   3.400   1.600   1.600
assign   (resid     18 and name    HN)         (resid     18 and name   HB*)   2.300   0.500   0.500
assign   (resid     49 and name    HB)         (resid     50 and name    HN)   2.300   0.500   0.500
assign   (resid     10 and name    HA)         (resid     11 and name    HN)   2.300   0.500   0.500
assign   (resid     26 and name    HN)         (resid     26 and name   HB*)   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     49 and name    HB)         (resid     46 and name    HN)   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     22 and name    HN)       
  ((resid     20 and name    HA)   or   (resid     18 and name    HA))
   2.900   1.100   1.100
assign   (resid     45 and name    HN)         (resid     41 and name    HA)   3.400   1.600   1.600
assign   (resid     41 and name    HN)         (resid     39 and name   HB*)   3.900   2.100   2.100
assign   (resid     13 and name   HB*)         (resid     15 and name    HN)   3.900   2.100   2.100
assign   (resid     28 and name    HN)         (resid     27 and name    HA)   2.900   1.100   1.100
assign   (resid     46 and name    HN)       
  ((resid     43 and name  HG2*)   or   (resid     44 and name  HG2*))
   3.900   2.100   2.100
assign   (resid     13 and name    HN)      
   ((resid     11 and name    HA)   or   (resid     10 and name    HA))
   3.400   1.600   1.600
assign   (resid     35 and name   HB*)         (resid     36 and name    HN)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     41 and name    HG)   2.900   1.100   1.100
assign   (resid     40 and name    HN)         (resid     40 and name  HD**)   3.900   2.100   2.100
assign   (resid     25 and name    HN)         (resid     24 and name    HA)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     37 and name   HB*)   3.900   2.100   2.100
assign   (resid     19 and name    HN)         (resid     18 and name   HB*)   2.900   1.100   1.100
assign   (resid     49 and name    HN)         (resid     49 and name  HG**)   3.400   1.600   1.600
assign   ((resid     46 and name   HB*)   or   (resid      9 and name   HB*))
         ((resid      9 and name    HN)   or   (resid     46 and name    HN))
   2.300   0.500   0.500
assign   (resid     48 and name    HN)         (resid     48 and name  HD**)   3.900   2.100   2.100
assign   (resid     51 and name    HN)         (resid     50 and name    HG)   3.400   1.600   1.600
assign   (resid     40 and name    HN)         (resid     39 and name   HB*)   2.900   1.100   1.100
assign   (resid     15 and name  HD2*)         (resid     15 and name    HA)   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   28 and name HN) (resid   29 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (76 viol avg 0.164)
assign   (resid      2 and name    HN)         (resid      2 and name    HA)   2.900   1.100   1.100
assign (resid   26 and name HN) (resid   26 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (38 viol avg 0.094)
assign   (resid     32 and name   HD*)         (resid     30 and name    HN)   3.900   2.100   2.100
assign   (resid     17 and name    HN)         (resid     15 and name   HB*)   3.400   1.600   1.600
assign (resid   14 and name HA) (resid   15 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (98 viol avg 0.338)
assign   (resid     20 and name   HG*)         (resid     23 and name    HN)   3.900   2.100   2.100
assign   (resid     31 and name    HN)         (resid     28 and name   HA*)   3.400   1.600   1.600
assign   (resid     22 and name    HN)      
   ((resid     18 and name   HB*)   or   (resid     20 and name   HB*))
   3.400   1.600   1.600
assign   (resid     43 and name    HN)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   (resid     20 and name   HG*)         (resid     20 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name    HN)      
   ((resid     53 and name    HA)   or   (resid     49 and name    HA))
   3.400   1.600   1.600
assign (resid   30 and name HN) (resid   30 and name HB*)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (42 viol avg 0.101)
assign   (resid      8 and name    HN)         (resid      8 and name   HB*)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (resid     31 and name    HB)   2.300   0.500   0.500
assign   ((resid     56 and name    HA)   or   (resid     55 and name    HA))
         (resid     56 and name    HN)  
   2.300   0.500   0.500
assign   (resid     56 and name   HD*)         (resid     56 and name    HN)   2.900   1.100   1.100
assign   (resid     19 and name    HN)         (resid     18 and name   HG*)   2.900   1.100   1.100
assign   (resid      4 and name    HN)         (resid      3 and name   HB*)   3.400   1.600   1.600
assign (resid   25 and name HN) (resid   21 and name HA)  2.900 1.100 1.100 ! incr to 5.0 after round 5. (93 viol avg 0.362)
assign   (resid     34 and name  HG1*)         (resid     34 and name    HN)   2.900   1.100   1.100
assign   (resid     29 and name    HN)         (resid     28 and name   HA*)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     24 and name   HB*)   2.300   0.500   0.500
assign   (resid     30 and name    HN)         (resid     30 and name  HD**)   3.900   2.100   2.100
assign   (resid     47 and name    HN)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign   (resid     42 and name    HN)       
  ((resid     38 and name  HG**)   or   (resid     43 and name  HG2*)   or   (resid     44 and name  HG2*))
   3.900   2.100   2.100
assign   (resid     37 and name    HN)         (resid     33 and name    HA)   3.400   1.600   1.600
assign   (resid     42 and name    HN)         (resid     41 and name   HB*)   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   22 and name HN) (resid   23 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 14. (37 viol avg 0.059)
assign   (resid     43 and name  HG2*)         (resid     43 and name    HN)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign   (resid     24 and name   HE1)         (resid     24 and name   HD1)   2.900   1.100   1.100
assign   (resid     62 and name    HN)         (resid     62 and name   HB*)   2.900   1.100   1.100
assign   (resid     53 and name    HN)         (resid     54 and name   HB*)   3.900   2.100   2.100
assign   (resid     23 and name    HN)         (resid     22 and name    HA)   2.900   1.100   1.100
assign   (resid     49 and name    HN)         (resid     49 and name  HG**)   2.900   1.100   1.100
assign   (resid     55 and name    HN)         (resid     52 and name    HA)   2.900   1.100   1.100
assign   (resid     52 and name  HG2*)         (resid     52 and name    HN)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid     37 and name    HN)         (resid     37 and name   HB*)   2.300   0.500   0.500
assign (resid   20 and name HN) (resid   20 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (95 viol avg 0.116)
assign   (resid     45 and name    HN)         (resid     46 and name   HB*)   3.900   2.100   2.100
assign   (resid     25 and name    HN)         (resid     24 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name   HB*)         (resid     51 and name    HN)   2.900   1.100   1.100
assign (resid   33 and name HN) (resid   34 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 7. (59 viol avg 0.235)
assign   (resid     50 and name   HB*)         (resid     52 and name    HN)   3.900   2.100   2.100
assign   (resid     41 and name    HN)     
    ((resid     42 and name   HA*)   or   (resid     45 and name   HA*))
   3.400   1.600   1.600
assign   (resid     58 and name    HN)         (resid     54 and name    HA)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     51 and name   HB*)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     57 and name    HN)   3.900   2.100   2.100
assign   (resid     27 and name   HB*)         (resid     27 and name    HN)   2.300   0.500   0.500
assign (resid   9 and name HA) (resid   10 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (68 viol avg 0.158)
assign   (resid     23 and name   HB*)         (resid     23 and name    HN)   2.300   0.500   0.500
assign   (resid     23 and name    HN)         (resid     21 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     53 and name    HB)   2.300   0.500   0.500
assign   (resid     23 and name    HA)         (resid     27 and name    HN)   3.400   1.600   1.600
assign (resid   60 and name HN) (resid   60 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (37 viol avg 0.063)
assign   (resid     33 and name    HN)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     37 and name    HN)         (resid     34 and name  HG2*)   3.900   2.100   2.100
assign   (resid     50 and name    HN)         (resid     46 and name    HA)   3.400   1.600   1.600
assign   (resid     16 and name    HA)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     51 and name   HE1)         (resid     51 and name   HD1)   2.900   1.100   1.100
assign   (resid     23 and name   HB*)       
  ((resid     25 and name    HN)   or   (resid     20 and name    HN))
   3.400   1.600   1.600
assign   (resid     52 and name    HN)         (resid     48 and name    HA)   3.400   1.600   1.600
assign   (resid     51 and name    HN)       
  ((resid     50 and name  HD**)   or   (resid     48 and name  HD**))
   3.900   2.100   2.100
assign   (resid     13 and name   HB*)         (resid     12 and name    HN)   3.900   2.100   2.100
assign   (resid     51 and name   HE1)         (resid     51 and name   HH2)   3.400   1.600   1.600
assign   (resid     37 and name    HN)         (resid     34 and name    HA)   2.900   1.100   1.100
assign   (resid     24 and name    HN)         (resid     24 and name    HA)   2.300   0.500   0.500
assign   (resid     35 and name    HN)         (resid     35 and name   HB*)   2.900   1.100   1.100
assign   (resid     31 and name    HN)         (resid     29 and name   HB*)   3.900   2.100   2.100
assign   (resid     22 and name    HN)         (resid     22 and name    HB)   2.900   1.100   1.100
assign   (resid     57 and name    HN)         (resid     57 and name   HB*)   2.300   0.500   0.500
assign   ((resid     49 and name    HN)   or   (resid     48 and name    HN))
         (resid     51 and name   HB*)  
   3.400   1.600   1.600
assign (resid   57 and name HN) (resid   57 and name HG*)  3.400 1.600 1.600 ! incr to 5.0 after round 14. (41 viol avg 0.047)
assign   (resid     55 and name  HH**)         (resid     55 and name   HD*)   3.900   2.100   2.100
assign   (resid     19 and name   HB*)         (resid     19 and name    HN)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     33 and name   HB*)   3.400   1.600   1.600
assign   (resid     25 and name    HN)         (resid     25 and name    HA)   2.300   0.500   0.500
assign   (resid     36 and name    HN)       
  ((resid     37 and name   HB*)   or   (resid     40 and name   HB*))
   3.900   2.100   2.100
assign (resid   16 and name HN) (resid   15 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (97 viol avg 0.373)
assign   (resid     12 and name   HA*)         (resid     12 and name    HN)   2.300   0.500   0.500
assign   (resid      5 and name    HN)         (resid      3 and name   HB*)   3.900   2.100   2.100
assign   (resid     20 and name    HN)         (resid     20 and name   HB*)   2.300   0.500   0.500
assign (resid   38 and name HN) (resid   38 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (76 viol avg 0.099)
assign   (resid      9 and name  HD2*)         (resid      9 and name   HB*)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     32 and name   HB*)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     41 and name   HB*)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     36 and name   HB*)   2.300   0.500   0.500
assign   (resid     47 and name    HN)       
  ((resid     44 and name    HA)   or   (resid     43 and name    HA))
   3.400   1.600   1.600
assign   (resid     58 and name    HN)         (resid     58 and name   HA*)   2.300   0.500   0.500
assign   (resid     55 and name    HN)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     47 and name   HA*)   2.900   1.100   1.100
assign   ((resid     53 and name    HB)   or   (resid     49 and name    HB))
         (resid     51 and name    HN)
   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     16 and name  HE2*)         (resid     16 and name   HG*)   3.400   1.600   1.600
assign   (resid     50 and name    HN)         (resid     49 and name  HG**)   3.400   1.600   1.600
assign (resid   23 and name HN) (resid   23 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (93 viol avg 0.087)
assign   (resid     16 and name    HN)         (resid     14 and name   HB*)   3.400   1.600   1.600
assign   (resid     58 and name   HA*)         (resid     59 and name    HN)   2.300   0.500   0.500
assign   (resid     51 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*)   2.300   0.500   0.500
assign   (resid     22 and name    HN)         (resid     19 and name    HA)   3.400   1.600   1.600
assign   (resid     26 and name    HN)         (resid     23 and name    HA)   2.900   1.100   1.100
assign   (resid     55 and name    HE)         (resid     55 and name   HD*)   2.900   1.100   1.100
assign   (resid     22 and name    HN)         (resid     22 and name  HG2*)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     49 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     39 and name   HB*)   3.900   2.100   2.100
assign   (resid     35 and name    HN)         (resid     35 and name    HA)   2.900   1.100   1.100
assign   (resid     21 and name    HN)         (resid     20 and name   HG*)   3.400   1.600   1.600
assign   (resid     45 and name    HN)         (resid     44 and name    HA)   2.900   1.100   1.100
assign   (resid     16 and name  HE2*)         (resid     16 and name   HG*)   3.400   1.600   1.600
assign   (resid     18 and name    HN)         (resid     17 and name    HA)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     32 and name   HD*)   2.900   1.100   1.100
assign   ((resid     42 and name    HA*)   or   (resid     45 and name   HA*))
         (resid     44 and name    HN)
   2.900   1.100   1.100
assign   (resid     41 and name    HN)         
((resid     40 and name    HA)   or   (resid     41 and name    HA))
   2.900   1.100   1.100
assign   ((resid     13 and name    HA)   or   (resid     14 and name    HA))
         (resid     17 and name    HN)
   2.900   1.100   1.100
assign   (resid     22 and name    HN)         (resid     23 and name   HB*)   3.400   1.600   1.600
assign (resid   29 and name HN) (resid   29 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (64 viol avg 0.118)
assign   (resid     15 and name    HN)         (resid     15 and name    HA)   2.300   0.500   0.500
assign   (resid     51 and name    HN)         
((resid     53 and name  HG**)   or   (resid     49 and name  HG**)) 
 3.900   2.100   2.100
assign   (resid     58 and name    HN)         (resid     57 and name   HB*)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     30 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     50 and name    HA)   2.900   1.100   1.100
assign   (resid     41 and name    HN)         (resid     38 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     37 and name  HD**)   3.900   2.100   2.100
assign (resid   52 and name HN) (resid   52 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (93 viol avg 0.070)
assign   (resid     13 and name   HB*)         (resid     10 and name    HN)   3.900   2.100   2.100
assign   (resid     53 and name    HN)         (resid     52 and name    HB)   2.900   1.100   1.100
assign   (resid     63 and name    HN)         (resid     63 and name   HB*)   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     58 and name    HN)         (resid     57 and name    HA)   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     32 and name    HA)   2.900   1.100   1.100
assign (resid   26 and name HA) (resid   29 and name HN)  3.400 1.600 1.600 ! incr to 5.0 after round 13. (36 viol avg 0.173)
assign   (resid     30 and name    HN)         (resid     31 and name  HG1*)   3.400   1.600   1.600
assign (resid   51 and name HN) (resid   51 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (97 viol avg 0.070)
assign   (resid     40 and name    HN)         (resid     39 and name    HA)   3.400   1.600   1.600
assign   (resid     49 and name  HG**)         (resid     46 and name    HN)   3.900   2.100   2.100
assign   (resid     18 and name    HN)         (resid     17 and name   HB*)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     50 and name  HD**)   3.900   2.100   2.100
assign   (resid     17 and name    HN)         (resid     16 and name   HB*)   2.900   1.100   1.100
assign   (resid     26 and name    HN)         (resid     24 and name   HB*)   3.400   1.600   1.600
assign   (resid     34 and name    HA)         (resid     36 and name    HN)   3.400   1.600   1.600
assign   (resid     53 and name  HG**)         (resid     56 and name    HN)   3.900   2.100   2.100
assign   (resid      7 and name    HN)         (resid      7 and name   HB*)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     47 and name    HN)        
 ((resid     50 and name  HD**)   or   (resid     48 and name  HD**))
   3.900   2.100   2.100
assign   (resid      8 and name   HB*)         (resid      9 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     49 and name    HN)         (resid     49 and name    HA)   2.300   0.500   0.500
assign   (resid     28 and name    HN)         (resid     29 and name   HB*)   3.900   2.100   2.100
assign   (resid     12 and name    HN)         (resid     11 and name   HB*)   2.900   1.100   1.100
assign   (resid     12 and name    HN)         (resid     11 and name    HA)   2.300   0.500   0.500
assign (resid   21 and name HN) (resid   20 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (50 viol avg 0.135)
assign (resid   21 and name HN) (resid   21 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (88 viol avg 0.133)
assign   (resid     42 and name    HN)         (resid     41 and name    HG)   3.400   1.600   1.600
assign   (resid     22 and name    HN)         (resid     21 and name   HB*)   2.300   0.500   0.500
assign   (resid     40 and name    HN)         (resid     38 and name    HA)   3.400   1.600   1.600
assign   (resid     51 and name    HN)
         ((resid     53 and name  HG**)   or   (resid     52 and name    HG2*)   or   (resid     49 and name  HG**))
   3.900   2.100   2.100
assign (resid   27 and name HN) (resid   27 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 11. (43 viol avg 0.104)
assign   (resid     25 and name    HN)         (resid     25 and name   HG*)   2.900   1.100   1.100
assign   (resid     18 and name    HN)         (resid     18 and name    HA)   2.300   0.500   0.500
assign (resid   17 and name HA) (resid   17 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (92 viol avg 0.077)
assign   (resid     54 and name    HN)         (resid     51 and name   HB*)   3.900   2.100   2.100
assign   (resid     16 and name   HG*)         (resid     17 and name    HN)   2.900   1.100   1.100
assign   (resid     37 and name    HN)         (resid     37 and name    HA)   2.300   0.500   0.500
assign   (resid     44 and name  HG2*)         (resid     45 and name    HN)   3.400   1.600   1.600
assign   (resid     52 and name    HN)         (resid     51 and name    HA)   2.900   1.100   1.100
assign   (resid     54 and name    HN)         (resid     53 and name  HG**)   3.400   1.600   1.600
assign (resid   10 and name HB*) (resid   11 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 11. (48 viol avg 0.237)
assign (resid   14 and name HN) (resid   14 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 9. (70 viol avg 0.089)
assign   (resid     14 and name    HN)         (resid     12 and name   HA*)   3.400   1.600   1.600
assign   (resid     13 and name    HN)
         ((resid     10 and name   HB*)   or   (resid     9 and name    HB*)   or   (resid     15 and name   HB*))
   3.400   1.600   1.600
assign   (resid     47 and name    HN)         (resid     46 and name    HA)   2.900   1.100   1.100
assign   (resid     42 and name    HN)         (resid     42 and name   HA*)   2.300   0.500   0.500
assign   (resid     33 and name    HN)         (resid     36 and name   HG*)   3.900   2.100   2.100
assign   (resid     57 and name    HN)         (resid     54 and name    HA)   3.400   1.600   1.600
assign   (resid     38 and name  HG**)         (resid     39 and name    HN)   3.400   1.600   1.600
assign   (resid     46 and name    HA)         (resid     45 and name    HN)   3.400   1.600   1.600
assign   (resid     61 and name    HN)         (resid     61 and name   HB*)   2.900   1.100   1.100
assign   (resid     16 and name    HN)       
  ((resid     13 and name    HA)   or   (resid     14 and name    HA))
   2.900   1.100   1.100
assign   (resid     55 and name    HE)         (resid     52 and name    HA)   3.400   1.600   1.600
assign   (resid     35 and name    HN)         (resid     33 and name    HA)   3.400   1.600   1.600
assign   (resid      8 and name    HN)         (resid      7 and name    HA)   2.300   0.500   0.500
assign   (resid     50 and name    HN)         (resid     50 and name    HA)   2.300   0.500   0.500
assign   (resid     15 and name    HN)         (resid     14 and name   HB*)   2.900   1.100   1.100
assign   (resid     32 and name    HA)         (resid     36 and name    HN)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     30 and name    HA)   3.400   1.600   1.600
assign   ((resid     27 and name   HB*)   or   (resid     26 and name   HB*))
         (resid     29 and name    HN)  
   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     31 and name    HN)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid     50 and name    HN)         (resid     49 and name  HG**)   3.400   1.600   1.600
assign   (resid     35 and name    HN)       
  ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     29 and name    HA)   3.400   1.600   1.600
assign   (resid     15 and name  HD2*)         (resid     15 and name   HB*)   2.900   1.100   1.100
assign   (resid     54 and name    HN)       
  ((resid     53 and name    HA)   or   (resid     52 and name    HA))
   2.900   1.100   1.100
assign   (resid      9 and name    HN)         (resid      7 and name    HA)   2.900   1.100   1.100
assign   (resid     31 and name    HN)   
      ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
   3.400   1.600   1.600
assign (resid   46 and name HN) (resid   45 and name HA*)  2.900 1.100 1.100 ! incr to 4.0 after round 14. (43 viol avg 0.049)
assign   (resid     46 and name  HD2*)         (resid     46 and name   HB*)   2.900   1.100   1.100
assign (resid   54 and name HN) 
((resid   55 and name HG*) or (resid   50 and name HG))
 3.900 2.100 2.100 ! could be commented out due to major violation after round 9
assign (resid   54 and name HN) (resid   54 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 10. (53 viol avg 0.058)
assign   (resid     60 and name    HN)         (resid     60 and name   HB*)   2.300   0.500   0.500
assign   (resid     31 and name    HN)         (resid     30 and name  HD**)   3.900   2.100   2.100
assign   (resid     26 and name    HN)         (resid     25 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     35 and name    HA)   2.900   1.100   1.100
assign   (resid     23 and name    HN)         (resid     22 and name  HG2*)   3.400   1.600   1.600
assign (resid   39 and name HN) (resid   36 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 3. (73 viol avg 0.644)
assign   (resid     48 and name    HN)         (resid     47 and name   HA*)   2.300   0.500   0.500
assign (resid   33 and name HN) (resid   34 and name HG1*)  3.900 2.100 2.100 ! incr to 6.0 after round 8. (51 viol avg 0.173)
assign   (resid     36 and name    HN)         (resid     34 and name  HG2*)   3.900   2.100   2.100
assign   (resid     12 and name   HA*)         (resid     11 and name    HN)   3.900   2.100   2.100
assign   (resid     15 and name    HN)         (resid     12 and name   HA*)   3.900   2.100   2.100
assign   (resid     21 and name   HB*)         (resid     20 and name    HN)   3.400   1.600   1.600
assign   (resid     40 and name    HN)         (resid     40 and name  HD**)   3.900   2.100   2.100
assign   (resid     14 and name    HN)         (resid     14 and name   HB*)   2.300   0.500   0.500
assign   (resid     30 and name    HN)     
    ((resid     26 and name    HA)   or   (resid     27 and name    HA))
   3.400   1.600   1.600
assign   (resid     37 and name    HN)         (resid     36 and name   HB*)   2.300   0.500   0.500
assign   ((resid      8 and name    HA)   or   (resid      9 and name    HA)   or   (resid     14 and name    HA))
         (resid     12 and name    HN)  
   3.400   1.600   1.600
assign   (resid     29 and name    HN)         (resid     29 and name   HB*)   2.300   0.500   0.500
assign (resid   37 and name HN) (resid   37 and name HG)  3.400 1.600 1.600 ! incr to 5.0 after round 8. (53 viol avg 0.256)
assign   (resid     25 and name    HN)         (resid     25 and name   HB*)   2.900   1.100   1.100
assign   (resid      9 and name   HB*)         (resid     10 and name    HN)   2.300   0.500   0.500
assign   (resid     55 and name   HG*)         (resid     56 and name    HN)   3.900   2.100   2.100
assign   (resid     22 and name    HN)         (resid     21 and name    HA)   2.900   1.100   1.100
assign   (resid     36 and name    HN)         (resid     36 and name    HA)   2.300   0.500   0.500
assign   (resid     59 and name    HN)         (resid     59 and name   HB*)   2.300   0.500   0.500
assign   (resid     55 and name    HN)         (resid     54 and name   HB*)   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     30 and name  HD**)   3.900   2.100   2.100
assign   (resid     58 and name   HA*)         (resid     61 and name    HN)   3.900   2.100   2.100
assign   (resid     34 and name    HN)         (resid     33 and name    HA)   2.900   1.100   1.100
assign   (resid     38 and name    HN)         (resid     38 and name    HB)   2.300   0.500   0.500
assign   (resid     58 and name    HN)         (resid     55 and name    HA)   3.400   1.600   1.600
assign   (resid     39 and name   HB*)         (resid     38 and name    HN)   3.400   1.600   1.600
assign   (resid     45 and name    HN)         (resid     44 and name    HB)   2.900   1.100   1.100
assign   (resid     44 and name  HG2*)         (resid     46 and name  HD2*)   3.900   2.100   2.100
assign   (resid     46 and name    HN)       
  ((resid     44 and name    HA)   or   (resid     43 and name    HA))
   2.900   1.100   1.100
assign   (resid     30 and name    HN)         (resid     31 and name    HB)   3.400   1.600   1.600
assign   (resid     40 and name    HN)         (resid     40 and name   HB*)   2.900   1.100   1.100
assign   (resid     55 and name    HN)         (resid     55 and name   HD*)   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     37 and name    HN)         (resid     37 and name  HD**)   3.900   2.100   2.100
assign   (resid     57 and name    HN)         (resid     53 and name    HA)   3.400   1.600   1.600
assign   (resid     47 and name    HN)     
    ((resid     50 and name    HG)   or   (resid     48 and name    HG))
        3.900 2.100 2.100 ! incr to 6.0 after round 9. (78 viol avg 0.127)
assign   (resid      5 and name    HN)         (resid      5 and name   HA*)   2.300   0.500   0.500
assign   (resid     58 and name    HN)         (resid     57 and name   HG*)   3.900   2.100   2.100
assign   (resid     47 and name    HN)         (resid     50 and name   HB*)   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     27 and name   HB*)   3.400   1.600   1.600
assign   (resid     19 and name    HN)         (resid     18 and name    HA)   2.900   1.100   1.100
assign   (resid     32 and name   HD*)         (resid     31 and name    HN)   2.900   1.100   1.100
assign   (resid     56 and name    HN)         (resid     56 and name   HB*)   2.900   1.100   1.100
assign   (resid     21 and name    HN)     
    ((resid     18 and name   HB*)   or   (resid     20 and name   HB*))
   2.900   1.100   1.100
assign   (resid     33 and name    HN)         (resid     33 and name    HA)   2.300   0.500   0.500
assign   (resid     25 and name    HA)         (resid     27 and name    HN)   3.400   1.600   1.600
assign   (resid     38 and name    HN)         (resid     34 and name  HG2*)   3.400   1.600   1.600
assign   (resid     33 and name    HN)         (resid     33 and name   HB*)   2.900   1.100   1.100
assign   (resid     35 and name    HN)         (resid     34 and name    HA)   3.400   1.600   1.600
assign   ((resid     49 and name    HN)   or   (resid     48 and name    HN))
         (resid     46 and name   HB*)  
   3.400   1.600   1.600
assign   (resid     55 and name   HB*)         (resid     56 and name    HN)   3.400   1.600   1.600
assign   (resid     52 and name    HN)         (resid     49 and name  HG**)   3.900   2.100   2.100
assign   ((resid     43 and name  HG2*)   or   (resid     44 and name  HG2*))
         (resid     44 and name    HN)  
   2.900   1.100   1.100
assign (resid   61 and name HN) (resid   61 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (37 viol avg 0.074)
assign (resid   62 and name HN) (resid   62 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (30 viol avg 0.081)
assign   (resid      4 and name    HN)         (resid      4 and name   HA*)   2.900   1.100   1.100
assign (resid   6 and name HN) (resid   6 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 12. (28 viol avg 0.078)
assign   (resid     25 and name    HN)         (resid     22 and name    HA)   3.400   1.600   1.600
assign (resid   63 and name HA) (resid   63 and name HN)  2.900 1.100 1.100 ! incr to 4.0 after round 8. (87 viol avg 0.107)
assign   (resid     39 and name    HA)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   ((resid     20 and name   HG*)   or   (resid     18 and name   HG*))
         (resid     17 and name    HN)  
   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      7 and name    HN)         (resid      6 and name   HB*)   2.900   1.100   1.100
assign   (resid     46 and name    HA)         (resid     46 and name  HD2*)   3.400   1.600   1.600
assign   (resid     38 and name    HN)         (resid     35 and name    HA)   2.900   1.100   1.100
assign   (resid     33 and name    HN)     
    ((resid     31 and name  HG2*)   or   (resid     34 and name  HG2*))
   3.400   1.600   1.600
assign   (resid     34 and name    HN)         (resid     34 and name    HB)   2.300   0.500   0.500
assign (resid   30 and name HN) (resid   29 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 5. (71 viol avg 0.360)
assign (resid   55 and name HN) (resid   55 and name HA)  2.900 1.100 1.100 ! incr to 4.0 after round 11. (79 viol avg 0.103)
assign   (resid     10 and name    HA)         (resid     10 and name    HN)   2.300   0.500   0.500
assign   (resid     30 and name    HN)         (resid     30 and name    HG)   2.900   1.100   1.100
assign   (resid     34 and name    HN)         (resid     31 and name    HA)   3.400   1.600   1.600
assign   (resid     44 and name    HN)      
   ((resid     40 and name    HA)   or   (resid     41 and name    HA))
        3.400 1.600 1.600 ! incr to 5.0 after round 8. (66 viol avg 0.159)
assign   (resid     19 and name   HB*)         (resid     20 and name    HN)   2.900   1.100   1.100
assign   (resid     55 and name    HE)         (resid     55 and name   HG*)   2.900   1.100   1.100
assign (resid   42 and name HN) (resid   43 and name HA)  3.900 2.100 2.100 ! incr to 6.0 after round 10. (53 viol avg 0.094)
assign   (resid     37 and name    HN)         (resid     33 and name   HB*)   3.900   2.100   2.100
assign   (resid     13 and name    HN)         (resid     12 and name   HA*)   2.900   1.100   1.100
assign   (resid     45 and name   HA*)    
     ((resid     42 and name   HA*)   or   (resid     45 and name    HN))
   2.300   0.500   0.500
assign   (resid     20 and name    HN)         (resid     19 and name    HA)   2.900   1.100   1.100
assign   (resid      8 and name    HN)         (resid      7 and name   HB*)   2.900   1.100   1.100
assign   (resid     51 and name    HN)         (resid     54 and name   HB*)   3.900   2.100   2.100
assign   (resid     51 and name    HN)         (resid     51 and name   HB*)   2.300   0.500   0.500
assign   ((resid     18 and name    HB*)   or   (resid     20 and name   HB*))
         (resid     17 and name    HN)
   3.400   1.600   1.600
assign   (resid     31 and name    HN)         (resid     30 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     53 and name    HN)         (resid     50 and name    HA)   2.900   1.100   1.100
assign (resid   40 and name HN) (resid   36 and name HG*)  3.900 2.100 2.100 ! incr to 6.0 after round 11. (51 viol avg 0.230)
assign   (resid     16 and name    HN)         (resid     16 and name   HB*)   2.300   0.500   0.500
assign   (resid     39 and name   HB*)         (resid     39 and name    HN)   2.900   1.100   1.100
assign   (resid     50 and name    HN)         (resid     47 and name   HA*)   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  39.307   3.249 -15.137
    2    H2   MET   1           HT2      MET   1  38.647   2.638 -16.578
    3    H3   MET   1           HT3      MET   1  40.149   3.431 -16.598
    4    HA   MET   1           HA       MET   1  39.519   0.694 -15.977
    5    HB2  MET   1           HB2      MET   1  42.134   2.115 -16.563
    6    HB3  MET   1           HB1      MET   1  41.825   0.383 -16.693
    7    HG2  MET   1           HG2      MET   1  39.931   1.071 -18.338
    8    HG3  MET   1           HG1      MET   1  40.779   2.615 -18.426
    9    HE1  MET   1           HE1      MET   1  43.163   2.812 -18.557
   10    HE2  MET   1           HE2      MET   1  44.164   1.965 -19.734
   11    HE3  MET   1           HE3      MET   1  44.034   1.344 -18.090
   12    H    GLU   2           HN       GLU   2  40.395   3.413 -14.156
   13    HA   GLU   2           HA       GLU   2  41.099   1.698 -11.881
   14    HB2  GLU   2           HB2      GLU   2  42.885   3.647 -13.205
   15    HB3  GLU   2           HB1      GLU   2  42.807   3.763 -11.446
   16    HG2  GLU   2           HG2      GLU   2  43.346   1.388 -11.232
   17    HG3  GLU   2           HG1      GLU   2  43.340   1.206 -12.985
   18    H    GLU   3           HN       GLU   3  39.045   2.209 -11.045
   19    HA   GLU   3           HA       GLU   3  37.899   4.733 -10.808
   20    HB2  GLU   3           HB2      GLU   3  37.643   2.729  -8.590
   21    HB3  GLU   3           HB1      GLU   3  36.410   3.775  -9.295
   22    HG2  GLU   3           HG2      GLU   3  36.898   2.400 -11.482
   23    HG3  GLU   3           HG1      GLU   3  37.543   1.205 -10.357
   24    H    GLY   4           HN       GLY   4  37.673   6.084  -8.873
   25    HA2  GLY   4           HA2      GLY   4  38.482   7.245  -7.042
   26    HA3  GLY   4           HA1      GLY   4  39.622   5.931  -6.767
   27    H    GLY   5           HN       GLY   5  39.313   9.126  -7.706
   28    HA2  GLY   5           HA2      GLY   5  41.519   9.295  -9.547
   29    HA3  GLY   5           HA1      GLY   5  40.702  10.646  -8.766
   30    H    ASP   6           HN       ASP   6  42.465   7.837  -7.457
   31    HA   ASP   6           HA       ASP   6  44.751   9.314  -6.644
   32    HB2  ASP   6           HB2      ASP   6  42.851  10.152  -5.089
   33    HB3  ASP   6           HB1      ASP   6  42.996   8.574  -4.318
   34    H    PHE   7           HN       PHE   7  44.861   7.078  -7.949
   35    HA   PHE   7           HA       PHE   7  45.103   4.854  -6.035
   36    HB2  PHE   7           HB2      PHE   7  44.598   5.067  -8.944
   37    HB3  PHE   7           HB1      PHE   7  45.630   3.729  -8.439
   38    HD1  PHE   7           HD2      PHE   7  42.802   5.359  -6.618
   39    HD2  PHE   7           HD1      PHE   7  44.256   1.816  -8.565
   40    HE1  PHE   7           HE2      PHE   7  40.806   4.110  -5.838
   41    HE2  PHE   7           HE1      PHE   7  42.261   0.568  -7.784
   42    HZ   PHE   7           HZ       PHE   7  40.536   1.715  -6.421
   43    H    ASP   8           HN       ASP   8  47.042   4.419  -5.223
   44    HA   ASP   8           HA       ASP   8  49.428   5.588  -6.409
   45    HB2  ASP   8           HB2      ASP   8  48.790   5.316  -3.859
   46    HB3  ASP   8           HB1      ASP   8  49.521   3.726  -4.072
   47    H    ASN   9           HN       ASN   9  48.097   2.366  -5.761
   48    HA   ASN   9           HA       ASN   9  48.791   0.269  -6.432
   49    HB2  ASN   9           HB2      ASN   9  48.516   0.050  -8.673
   50    HB3  ASN   9           HB1      ASN   9  48.074   1.754  -8.589
   51   HD21  ASN   9          HD21      ASN   9  50.517  -0.497  -9.699
   52   HD22  ASN   9          HD22      ASN   9  51.521   0.659 -10.432
   53    H    TYR  10           HN       TYR  10  50.716  -0.713  -8.033
   54    HA   TYR  10           HA       TYR  10  52.917  -1.342  -8.025
   55    HB2  TYR  10           HB2      TYR  10  53.894   0.346  -9.118
   56    HB3  TYR  10           HB1      TYR  10  52.808   1.520  -8.378
   57    HD1  TYR  10           HD1      TYR  10  55.971  -0.372  -7.896
   58    HD2  TYR  10           HD2      TYR  10  53.494   2.854  -6.513
   59    HE1  TYR  10           HE1      TYR  10  57.815   0.420  -6.440
   60    HE2  TYR  10           HE2      TYR  10  55.338   3.645  -5.056
   61    HH   TYR  10           HH       TYR  10  58.454   1.909  -4.931
   62    H    TYR  11           HN       TYR  11  53.728  -2.491  -6.406
   63    HA   TYR  11           HA       TYR  11  54.289  -3.120  -4.256
   64    HB2  TYR  11           HB2      TYR  11  56.051  -1.271  -5.220
   65    HB3  TYR  11           HB1      TYR  11  55.570  -0.519  -3.701
   66    HD1  TYR  11           HD2      TYR  11  55.044  -2.847  -1.976
   67    HD2  TYR  11           HD1      TYR  11  58.179  -2.186  -4.837
   68    HE1  TYR  11           HE2      TYR  11  56.505  -4.424  -0.739
   69    HE2  TYR  11           HE1      TYR  11  59.640  -3.763  -3.600
   70    HH   TYR  11           HH       TYR  11  58.509  -5.358  -0.615
   71    H    GLY  12           HN       GLY  12  51.698  -2.028  -4.411
   72    HA2  GLY  12           HA2      GLY  12  51.306  -1.292  -1.646
   73    HA3  GLY  12           HA1      GLY  12  50.916  -0.001  -2.778
   74    H    ALA  13           HN       ALA  13  50.068  -1.928  -4.852
   75    HA   ALA  13           HA       ALA  13  47.362  -2.392  -3.821
   76    HB1  ALA  13           HB1      ALA  13  47.067  -2.974  -6.384
   77    HB2  ALA  13           HB2      ALA  13  48.571  -2.066  -6.536
   78    HB3  ALA  13           HB3      ALA  13  47.143  -1.297  -5.844
   79    H    ASP  14           HN       ASP  14  50.209  -4.081  -4.854
   80    HA   ASP  14           HA       ASP  14  48.767  -6.659  -4.749
   81    HB2  ASP  14           HB2      ASP  14  51.411  -5.907  -6.012
   82    HB3  ASP  14           HB1      ASP  14  50.802  -7.558  -5.902
   83    H    ASN  15           HN       ASN  15  51.018  -4.655  -3.133
   84    HA   ASN  15           HA       ASN  15  52.730  -6.403  -1.850
   85    HB2  ASN  15           HB2      ASN  15  53.077  -4.101  -1.470
   86    HB3  ASN  15           HB1      ASN  15  51.418  -3.854  -0.928
   87   HD21  ASN  15          HD21      ASN  15  51.638  -3.280   1.258
   88   HD22  ASN  15          HD22      ASN  15  52.514  -4.182   2.398
   89    H    GLN  16           HN       GLN  16  49.318  -6.094  -1.509
   90    HA   GLN  16           HA       GLN  16  49.241  -7.464   1.067
   91    HB2  GLN  16           HB2      GLN  16  46.969  -6.953   1.127
   92    HB3  GLN  16           HB1      GLN  16  47.623  -5.595   0.211
   93    HG2  GLN  16           HG2      GLN  16  47.169  -7.094  -1.875
   94    HG3  GLN  16           HG1      GLN  16  46.098  -7.985  -0.796
   95   HE21  GLN  16          HE21      GLN  16  46.143  -5.417  -2.964
   96   HE22  GLN  16          HE22      GLN  16  44.777  -4.580  -2.402
   97    H    SER  17           HN       SER  17  48.964  -8.167  -2.323
   98    HA   SER  17           HA       SER  17  47.702 -10.746  -1.935
   99    HB2  SER  17           HB2      SER  17  47.153  -9.799  -4.003
  100    HB3  SER  17           HB1      SER  17  48.798  -9.244  -4.295
  101    HG   SER  17           HG       SER  17  49.246 -11.655  -4.208
  102    H    GLU  18           HN       GLU  18  50.932  -9.458  -2.212
  103    HA   GLU  18           HA       GLU  18  52.393 -11.694  -2.966
  104    HB2  GLU  18           HB2      GLU  18  54.270 -10.594  -2.141
  105    HB3  GLU  18           HB1      GLU  18  53.149  -9.255  -2.390
  106    HG2  GLU  18           HG2      GLU  18  52.417  -9.721   0.067
  107    HG3  GLU  18           HG1      GLU  18  53.946 -10.589   0.188
  108    H    CYS  19           HN       CYS  19  50.629 -11.117  -0.062
  109    HA   CYS  19           HA       CYS  19  52.029 -13.178   1.452
  110    HB2  CYS  19           HB2      CYS  19  49.663 -11.403   2.073
  111    HB3  CYS  19           HB1      CYS  19  50.250 -12.650   3.174
  112    HG   CYS  19           HG       CYS  19  51.380 -10.053   3.314
  113    H    GLU  20           HN       GLU  20  49.102 -12.767  -0.416
  114    HA   GLU  20           HA       GLU  20  48.020 -15.336   0.446
  115    HB2  GLU  20           HB2      GLU  20  46.329 -13.730   0.133
  116    HB3  GLU  20           HB1      GLU  20  47.044 -13.140  -1.368
  117    HG2  GLU  20           HG2      GLU  20  46.335 -15.018  -2.592
  118    HG3  GLU  20           HG1      GLU  20  46.104 -15.991  -1.141
  119    H    TYR  21           HN       TYR  21  49.903 -13.993  -2.126
  120    HA   TYR  21           HA       TYR  21  49.410 -15.688  -4.254
  121    HB2  TYR  21           HB2      TYR  21  50.933 -13.983  -4.710
  122    HB3  TYR  21           HB1      TYR  21  51.892 -14.318  -3.268
  123    HD1  TYR  21           HD1      TYR  21  53.412 -16.270  -3.188
  124    HD2  TYR  21           HD2      TYR  21  51.246 -15.241  -6.752
  125    HE1  TYR  21           HE1      TYR  21  54.897 -17.746  -4.517
  126    HE2  TYR  21           HE2      TYR  21  52.732 -16.717  -8.081
  127    HH   TYR  21           HH       TYR  21  55.413 -18.494  -6.537
  128    H    THR  22           HN       THR  22  51.256 -16.295  -1.317
  129    HA   THR  22           HA       THR  22  52.316 -18.816  -2.197
  130    HB   THR  22           HB       THR  22  52.932 -19.085   0.206
  131    HG1  THR  22           HG1      THR  22  51.602 -18.046   1.461
  132   HG21  THR  22          HG21      THR  22  53.562 -16.317  -0.844
  133   HG22  THR  22          HG22      THR  22  54.313 -17.786  -1.467
  134   HG23  THR  22          HG23      THR  22  54.561 -17.314   0.214
  135    H    ASP  23           HN       ASP  23  49.334 -17.745  -0.841
  136    HA   ASP  23           HA       ASP  23  48.576 -20.426   0.053
  137    HB2  ASP  23           HB2      ASP  23  47.799 -17.757   0.726
  138    HB3  ASP  23           HB1      ASP  23  46.378 -18.628   0.151
  139    H    TRP  24           HN       TRP  24  47.282 -17.936  -2.158
  140    HA   TRP  24           HA       TRP  24  45.241 -19.318  -3.347
  141    HB2  TRP  24           HB2      TRP  24  45.333 -17.226  -4.242
  142    HB3  TRP  24           HB1      TRP  24  47.097 -17.189  -4.240
  143    HD1  TRP  24           HD1      TRP  24  44.140 -18.573  -6.259
  144    HE1  TRP  24           HE1      TRP  24  44.939 -19.043  -8.664
  145    HE3  TRP  24           HE3      TRP  24  49.131 -17.630  -5.729
  146    HZ2  TRP  24           HZ2      TRP  24  47.375 -19.021 -10.165
  147    HZ3  TRP  24           HZ3      TRP  24  50.666 -17.862  -7.661
  148    HH2  TRP  24           HH2      TRP  24  49.795 -18.555  -9.876
  149    H    LYS  25           HN       LYS  25  48.669 -19.408  -4.321
  150    HA   LYS  25           HA       LYS  25  48.454 -21.160  -6.471
  151    HB2  LYS  25           HB2      LYS  25  50.522 -19.924  -5.761
  152    HB3  LYS  25           HB1      LYS  25  50.725 -21.114  -4.474
  153    HG2  LYS  25           HG2      LYS  25  50.788 -22.921  -6.161
  154    HG3  LYS  25           HG1      LYS  25  50.611 -21.723  -7.443
  155    HD2  LYS  25           HD2      LYS  25  52.721 -20.700  -6.015
  156    HD3  LYS  25           HD1      LYS  25  52.989 -22.437  -5.858
  157    HE2  LYS  25           HE2      LYS  25  52.783 -22.668  -8.324
  158    HE3  LYS  25           HE1      LYS  25  52.598 -20.919  -8.454
  159    HZ1  LYS  25           HZ1      LYS  25  54.883 -21.755  -6.909
  160    HZ2  LYS  25           HZ2      LYS  25  54.769 -20.589  -8.139
  161    HZ3  LYS  25           HZ3      LYS  25  54.948 -22.231  -8.536
  162    H    SER  26           HN       SER  26  48.161 -21.769  -3.074
  163    HA   SER  26           HA       SER  26  48.410 -24.666  -3.434
  164    HB2  SER  26           HB2      SER  26  47.886 -23.057  -0.926
  165    HB3  SER  26           HB1      SER  26  48.237 -24.782  -1.000
  166    HG   SER  26           HG       SER  26  50.257 -24.233  -1.934
  167    H    SER  27           HN       SER  27  46.031 -22.293  -2.240
  168    HA   SER  27           HA       SER  27  43.930 -24.331  -2.360
  169    HB2  SER  27           HB2      SER  27  43.270 -21.539  -1.627
  170    HB3  SER  27           HB1      SER  27  42.766 -23.052  -0.879
  171    HG   SER  27           HG       SER  27  44.254 -22.619   0.535
  172    H    GLY  28           HN       GLY  28  45.271 -23.066  -4.754
  173    HA2  GLY  28           HA2      GLY  28  42.788 -22.198  -6.105
  174    HA3  GLY  28           HA1      GLY  28  44.300 -21.331  -6.354
  175    H    ALA  29           HN       ALA  29  44.141 -24.805  -5.958
  176    HA   ALA  29           HA       ALA  29  44.598 -25.181  -8.847
  177    HB1  ALA  29           HB1      ALA  29  46.786 -25.474  -8.275
  178    HB2  ALA  29           HB2      ALA  29  46.218 -27.087  -7.844
  179    HB3  ALA  29           HB3      ALA  29  46.405 -25.855  -6.596
  180    H    LEU  30           HN       LEU  30  43.198 -26.192  -5.893
  181    HA   LEU  30           HA       LEU  30  41.984 -28.507  -7.267
  182    HB2  LEU  30           HB2      LEU  30  41.996 -29.599  -4.940
  183    HB3  LEU  30           HB1      LEU  30  43.523 -29.545  -5.823
  184    HG   LEU  30           HG       LEU  30  42.990 -27.167  -4.160
  185   HD11  LEU  30          HD11      LEU  30  43.591 -28.321  -2.055
  186   HD12  LEU  30          HD12      LEU  30  43.530 -29.871  -2.893
  187   HD13  LEU  30          HD13      LEU  30  42.060 -28.917  -2.695
  188   HD21  LEU  30          HD21      LEU  30  45.366 -27.493  -3.623
  189   HD22  LEU  30          HD22      LEU  30  45.117 -27.616  -5.364
  190   HD23  LEU  30          HD23      LEU  30  45.338 -29.076  -4.401
  191    H    ILE  31           HN       ILE  31  41.568 -25.645  -5.498
  192    HA   ILE  31           HA       ILE  31  38.985 -26.374  -4.383
  193    HB   ILE  31           HB       ILE  31  39.992 -23.555  -4.507
  194   HG12  ILE  31          HG12      ILE  31  41.959 -24.851  -3.837
  195   HG13  ILE  31          HG11      ILE  31  41.301 -24.011  -2.436
  196   HG21  ILE  31          HG21      ILE  31  38.893 -23.462  -2.311
  197   HG22  ILE  31          HG22      ILE  31  38.531 -25.185  -2.411
  198   HG23  ILE  31          HG23      ILE  31  37.779 -24.059  -3.541
  199   HD11  ILE  31          HD11      ILE  31  40.891 -26.933  -3.145
  200   HD12  ILE  31          HD12      ILE  31  40.077 -26.112  -1.815
  201   HD13  ILE  31          HD13      ILE  31  41.828 -26.296  -1.796
  202    HA   PRO  32           HA       PRO  32  37.812 -23.206  -7.939
  203    HB2  PRO  32           HB2      PRO  32  39.619 -24.226 -10.054
  204    HB3  PRO  32           HB1      PRO  32  39.196 -22.554  -9.642
  205    HG2  PRO  32           HG2      PRO  32  41.601 -23.587  -9.093
  206    HG3  PRO  32           HG1      PRO  32  40.821 -22.394  -8.041
  207    HD2  PRO  32           HD2      PRO  32  41.103 -25.350  -7.655
  208    HD3  PRO  32           HD1      PRO  32  41.148 -24.045  -6.449
  209    H    ALA  33           HN       ALA  33  38.885 -26.521  -8.407
  210    HA   ALA  33           HA       ALA  33  37.218 -27.312 -10.503
  211    HB1  ALA  33           HB1      ALA  33  38.670 -29.003 -10.005
  212    HB2  ALA  33           HB2      ALA  33  37.304 -29.571  -9.044
  213    HB3  ALA  33           HB3      ALA  33  38.616 -28.681  -8.272
  214    H    ILE  34           HN       ILE  34  36.608 -28.143  -7.090
  215    HA   ILE  34           HA       ILE  34  33.954 -28.859  -7.347
  216    HB   ILE  34           HB       ILE  34  35.574 -27.745  -5.087
  217   HG12  ILE  34          HG12      ILE  34  35.422 -30.214  -6.041
  218   HG13  ILE  34          HG11      ILE  34  35.513 -29.930  -4.304
  219   HG21  ILE  34          HG21      ILE  34  32.576 -28.077  -5.172
  220   HG22  ILE  34          HG22      ILE  34  33.517 -26.730  -4.531
  221   HG23  ILE  34          HG23      ILE  34  33.470 -28.263  -3.663
  222   HD11  ILE  34          HD11      ILE  34  33.682 -31.548  -5.166
  223   HD12  ILE  34          HD12      ILE  34  32.847 -30.094  -5.710
  224   HD13  ILE  34          HD13      ILE  34  33.204 -30.317  -3.998
  225    H    TYR  35           HN       TYR  35  35.245 -25.641  -6.526
  226    HA   TYR  35           HA       TYR  35  32.946 -24.198  -6.191
  227    HB2  TYR  35           HB2      TYR  35  35.674 -23.615  -7.005
  228    HB3  TYR  35           HB1      TYR  35  34.519 -22.526  -7.775
  229    HD1  TYR  35           HD2      TYR  35  35.647 -23.874  -4.496
  230    HD2  TYR  35           HD1      TYR  35  33.376 -20.845  -6.527
  231    HE1  TYR  35           HE2      TYR  35  35.402 -22.628  -2.365
  232    HE2  TYR  35           HE1      TYR  35  33.131 -19.600  -4.396
  233    HH   TYR  35           HH       TYR  35  33.332 -19.789  -2.125
  234    H    MET  36           HN       MET  36  34.588 -24.644  -9.334
  235    HA   MET  36           HA       MET  36  32.557 -23.486 -10.897
  236    HB2  MET  36           HB2      MET  36  34.839 -25.346 -11.449
  237    HB3  MET  36           HB1      MET  36  33.640 -25.051 -12.709
  238    HG2  MET  36           HG2      MET  36  35.027 -22.815 -11.217
  239    HG3  MET  36           HG1      MET  36  35.647 -23.484 -12.727
  240    HE1  MET  36           HE1      MET  36  32.911 -20.117 -12.298
  241    HE2  MET  36           HE2      MET  36  34.607 -20.422 -11.931
  242    HE3  MET  36           HE3      MET  36  33.351 -21.180 -10.954
  243    H    LEU  37           HN       LEU  37  33.338 -26.959 -10.581
  244    HA   LEU  37           HA       LEU  37  31.174 -28.036 -11.878
  245    HB2  LEU  37           HB2      LEU  37  33.153 -29.236 -10.768
  246    HB3  LEU  37           HB1      LEU  37  32.190 -29.203  -9.291
  247    HG   LEU  37           HG       LEU  37  30.354 -30.103 -11.118
  248   HD11  LEU  37          HD11      LEU  37  33.014 -31.389 -11.808
  249   HD12  LEU  37          HD12      LEU  37  32.159 -30.243 -12.841
  250   HD13  LEU  37          HD13      LEU  37  31.439 -31.812 -12.480
  251   HD21  LEU  37          HD21      LEU  37  30.691 -31.092  -8.933
  252   HD22  LEU  37          HD22      LEU  37  32.299 -31.657  -9.385
  253   HD23  LEU  37          HD23      LEU  37  30.871 -32.371 -10.133
  254    H    VAL  38           HN       VAL  38  31.196 -26.319  -8.890
  255    HA   VAL  38           HA       VAL  38  28.476 -27.232  -8.231
  256    HB   VAL  38           HB       VAL  38  30.592 -25.753  -6.673
  257   HG11  VAL  38          HG11      VAL  38  28.765 -25.863  -4.829
  258   HG12  VAL  38          HG12      VAL  38  27.630 -26.008  -6.171
  259   HG13  VAL  38          HG13      VAL  38  28.652 -24.577  -6.031
  260   HG21  VAL  38          HG21      VAL  38  30.253 -27.659  -5.123
  261   HG22  VAL  38          HG22      VAL  38  30.719 -28.213  -6.732
  262   HG23  VAL  38          HG23      VAL  38  29.036 -28.320  -6.215
  263    H    PHE  39           HN       PHE  39  30.274 -24.519  -9.429
  264    HA   PHE  39           HA       PHE  39  28.209 -22.564  -8.934
  265    HB2  PHE  39           HB2      PHE  39  30.688 -22.063  -9.148
  266    HB3  PHE  39           HB1      PHE  39  30.509 -22.341 -10.881
  267    HD1  PHE  39           HD1      PHE  39  28.898 -20.928 -12.207
  268    HD2  PHE  39           HD2      PHE  39  29.936 -20.037  -8.135
  269    HE1  PHE  39           HE1      PHE  39  28.035 -18.620 -12.492
  270    HE2  PHE  39           HE2      PHE  39  29.074 -17.729  -8.421
  271    HZ   PHE  39           HZ       PHE  39  28.124 -17.021 -10.599
  272    H    LEU  40           HN       LEU  40  29.553 -24.015 -11.911
  273    HA   LEU  40           HA       LEU  40  27.503 -23.013 -13.602
  274    HB2  LEU  40           HB2      LEU  40  28.381 -24.674 -15.238
  275    HB3  LEU  40           HB1      LEU  40  29.650 -23.679 -14.522
  276    HG   LEU  40           HG       LEU  40  29.309 -25.902 -12.801
  277   HD11  LEU  40          HD11      LEU  40  28.176 -27.042 -14.674
  278   HD12  LEU  40          HD12      LEU  40  29.743 -27.781 -14.344
  279   HD13  LEU  40          HD13      LEU  40  29.553 -26.695 -15.720
  280   HD21  LEU  40          HD21      LEU  40  31.394 -24.628 -13.268
  281   HD22  LEU  40          HD22      LEU  40  31.446 -25.335 -14.883
  282   HD23  LEU  40          HD23      LEU  40  31.630 -26.365 -13.463
  283    H    LEU  41           HN       LEU  41  27.186 -25.110 -11.140
  284    HA   LEU  41           HA       LEU  41  25.284 -26.892 -12.507
  285    HB2  LEU  41           HB2      LEU  41  27.076 -27.174 -10.259
  286    HB3  LEU  41           HB1      LEU  41  25.424 -27.568  -9.784
  287    HG   LEU  41           HG       LEU  41  26.784 -28.689 -12.249
  288   HD11  LEU  41          HD11      LEU  41  27.090 -29.383  -9.467
  289   HD12  LEU  41          HD12      LEU  41  27.855 -30.116 -10.877
  290   HD13  LEU  41          HD13      LEU  41  26.288 -30.702 -10.321
  291   HD21  LEU  41          HD21      LEU  41  24.616 -30.239 -11.142
  292   HD22  LEU  41          HD22      LEU  41  24.749 -29.520 -12.747
  293   HD23  LEU  41          HD23      LEU  41  24.077 -28.582 -11.413
  294    H    GLY  42           HN       GLY  42  25.415 -25.164  -9.381
  295    HA2  GLY  42           HA2      GLY  42  22.496 -24.902  -9.433
  296    HA3  GLY  42           HA1      GLY  42  23.545 -24.586  -8.055
  297    H    THR  43           HN       THR  43  24.782 -23.248 -10.894
  298    HA   THR  43           HA       THR  43  23.460 -20.653 -10.427
  299    HB   THR  43           HB       THR  43  26.317 -20.480 -11.098
  300    HG1  THR  43           HG1      THR  43  26.725 -20.830  -8.746
  301   HG21  THR  43          HG21      THR  43  24.592 -19.227  -8.944
  302   HG22  THR  43          HG22      THR  43  24.864 -18.550 -10.549
  303   HG23  THR  43          HG23      THR  43  26.207 -18.699  -9.415
  304    H    THR  44           HN       THR  44  23.098 -22.679 -12.491
  305    HA   THR  44           HA       THR  44  23.771 -21.011 -14.829
  306    HB   THR  44           HB       THR  44  24.250 -23.961 -14.470
  307    HG1  THR  44           HG1      THR  44  25.908 -22.344 -14.163
  308   HG21  THR  44          HG21      THR  44  23.045 -24.017 -16.480
  309   HG22  THR  44          HG22      THR  44  24.707 -23.814 -17.033
  310   HG23  THR  44          HG23      THR  44  23.620 -22.426 -16.979
  311    H    GLY  45           HN       GLY  45  21.881 -23.815 -13.703
  312    HA2  GLY  45           HA2      GLY  45  19.729 -23.062 -15.573
  313    HA3  GLY  45           HA1      GLY  45  19.915 -24.638 -14.808
  314    H    ASN  46           HN       ASN  46  20.628 -22.881 -12.304
  315    HA   ASN  46           HA       ASN  46  17.984 -23.018 -11.164
  316    HB2  ASN  46           HB2      ASN  46  19.202 -23.273  -9.306
  317    HB3  ASN  46           HB1      ASN  46  20.675 -22.898 -10.199
  318   HD21  ASN  46          HD21      ASN  46  21.379 -20.616 -10.245
  319   HD22  ASN  46          HD22      ASN  46  20.802 -19.516  -9.087
  320    H    GLY  47           HN       GLY  47  20.332 -20.374 -11.667
  321    HA2  GLY  47           HA2      GLY  47  18.684 -18.259 -10.873
  322    HA3  GLY  47           HA1      GLY  47  20.029 -18.117 -12.002
  323    H    LEU  48           HN       LEU  48  19.200 -19.633 -14.121
  324    HA   LEU  48           HA       LEU  48  17.535 -17.902 -15.550
  325    HB2  LEU  48           HB2      LEU  48  19.102 -19.573 -16.558
  326    HB3  LEU  48           HB1      LEU  48  17.978 -20.848 -16.095
  327    HG   LEU  48           HG       LEU  48  16.201 -19.739 -17.450
  328   HD11  LEU  48          HD11      LEU  48  16.668 -17.492 -17.691
  329   HD12  LEU  48          HD12      LEU  48  17.356 -18.081 -19.204
  330   HD13  LEU  48          HD13      LEU  48  18.406 -17.756 -17.826
  331   HD21  LEU  48          HD21      LEU  48  17.728 -21.528 -18.365
  332   HD22  LEU  48          HD22      LEU  48  18.721 -20.244 -19.055
  333   HD23  LEU  48          HD23      LEU  48  17.055 -20.457 -19.593
  334    H    VAL  49           HN       VAL  49  16.767 -21.058 -14.080
  335    HA   VAL  49           HA       VAL  49  14.044 -21.105 -14.772
  336    HB   VAL  49           HB       VAL  49  15.659 -22.413 -12.600
  337   HG11  VAL  49          HG11      VAL  49  13.624 -22.225 -11.451
  338   HG12  VAL  49          HG12      VAL  49  13.442 -23.768 -12.287
  339   HG13  VAL  49          HG13      VAL  49  12.669 -22.319 -12.931
  340   HG21  VAL  49          HG21      VAL  49  15.810 -23.229 -14.942
  341   HG22  VAL  49          HG22      VAL  49  14.062 -23.466 -14.959
  342   HG23  VAL  49          HG23      VAL  49  15.073 -24.430 -13.882
  343    H    LEU  50           HN       LEU  50  15.298 -20.551 -11.479
  344    HA   LEU  50           HA       LEU  50  13.036 -19.536 -10.313
  345    HB2  LEU  50           HB2      LEU  50  15.867 -18.558  -9.856
  346    HB3  LEU  50           HB1      LEU  50  14.515 -18.350  -8.744
  347    HG   LEU  50           HG       LEU  50  15.604 -21.024  -9.679
  348   HD11  LEU  50          HD11      LEU  50  17.043 -19.576  -8.100
  349   HD12  LEU  50          HD12      LEU  50  16.675 -21.219  -7.575
  350   HD13  LEU  50          HD13      LEU  50  15.781 -19.857  -6.900
  351   HD21  LEU  50          HD21      LEU  50  14.169 -21.635  -7.521
  352   HD22  LEU  50          HD22      LEU  50  13.409 -21.513  -9.108
  353   HD23  LEU  50          HD23      LEU  50  13.294 -20.171  -7.969
  354    H    TRP  51           HN       TRP  51  15.155 -17.962 -12.594
  355    HA   TRP  51           HA       TRP  51  14.098 -15.314 -12.146
  356    HB2  TRP  51           HB2      TRP  51  16.349 -15.487 -12.976
  357    HB3  TRP  51           HB1      TRP  51  15.827 -16.485 -14.334
  358    HD1  TRP  51           HD1      TRP  51  15.779 -12.896 -13.046
  359    HE1  TRP  51           HE1      TRP  51  15.139 -11.323 -14.987
  360    HE3  TRP  51           HE3      TRP  51  14.560 -16.343 -16.611
  361    HZ2  TRP  51           HZ2      TRP  51  14.231 -11.503 -17.693
  362    HZ3  TRP  51           HZ3      TRP  51  13.812 -15.616 -18.859
  363    HH2  TRP  51           HH2      TRP  51  13.646 -13.203 -19.404
  364    H    THR  52           HN       THR  52  13.770 -17.774 -14.704
  365    HA   THR  52           HA       THR  52  11.926 -16.346 -16.290
  366    HB   THR  52           HB       THR  52  12.528 -19.287 -15.996
  367    HG1  THR  52           HG1      THR  52  13.269 -18.812 -18.190
  368   HG21  THR  52          HG21      THR  52  10.435 -17.886 -17.643
  369   HG22  THR  52          HG22      THR  52  10.292 -19.372 -16.704
  370   HG23  THR  52          HG23      THR  52  11.185 -19.373 -18.225
  371    H    VAL  53           HN       VAL  53  11.432 -18.792 -13.752
  372    HA   VAL  53           HA       VAL  53   8.626 -18.880 -13.890
  373    HB   VAL  53           HB       VAL  53  10.571 -19.447 -11.654
  374   HG11  VAL  53          HG11      VAL  53   8.361 -20.690 -10.812
  375   HG12  VAL  53          HG12      VAL  53   7.584 -19.359 -11.669
  376   HG13  VAL  53          HG13      VAL  53   8.709 -19.023 -10.353
  377   HG21  VAL  53          HG21      VAL  53   8.771 -21.464 -12.920
  378   HG22  VAL  53          HG22      VAL  53  10.430 -21.643 -12.347
  379   HG23  VAL  53          HG23      VAL  53  10.111 -20.857 -13.893
  380    H    PHE  54           HN       PHE  54  10.789 -16.935 -11.840
  381    HA   PHE  54           HA       PHE  54   8.882 -15.606 -10.316
  382    HB2  PHE  54           HB2      PHE  54  11.654 -14.999 -11.214
  383    HB3  PHE  54           HB1      PHE  54  10.706 -13.665 -10.558
  384    HD1  PHE  54           HD1      PHE  54  10.699 -17.308  -9.696
  385    HD2  PHE  54           HD2      PHE  54  11.484 -13.297  -8.372
  386    HE1  PHE  54           HE1      PHE  54  11.104 -18.146  -7.398
  387    HE2  PHE  54           HE2      PHE  54  11.890 -14.136  -6.074
  388    HZ   PHE  54           HZ       PHE  54  11.700 -16.560  -5.587
  389    H    ARG  55           HN       ARG  55   9.342 -15.490 -13.663
  390    HA   ARG  55           HA       ARG  55   8.024 -12.861 -13.897
  391    HB2  ARG  55           HB2      ARG  55   9.851 -14.435 -15.644
  392    HB3  ARG  55           HB1      ARG  55   8.636 -13.429 -16.433
  393    HG2  ARG  55           HG2      ARG  55   9.508 -11.451 -15.559
  394    HG3  ARG  55           HG1      ARG  55  10.277 -12.272 -14.201
  395    HD2  ARG  55           HD2      ARG  55  11.685 -11.428 -16.313
  396    HD3  ARG  55           HD1      ARG  55  12.117 -12.891 -15.432
  397    HE   ARG  55           HE       ARG  55  11.404 -14.156 -17.263
  398   HH11  ARG  55          HH21      ARG  55  10.469 -10.836 -17.544
  399   HH12  ARG  55          HH22      ARG  55   9.967 -10.974 -19.196
  400   HH21  ARG  55          HH11      ARG  55  10.747 -14.345 -19.429
  401   HH22  ARG  55          HH12      ARG  55  10.124 -12.961 -20.263
  402    H    LYS  56           HN       LYS  56   7.441 -16.199 -14.055
  403    HA   LYS  56           HA       LYS  56   5.087 -15.843 -15.791
  404    HB2  LYS  56           HB2      LYS  56   5.295 -18.023 -16.418
  405    HB3  LYS  56           HB1      LYS  56   6.964 -17.764 -15.921
  406    HG2  LYS  56           HG2      LYS  56   6.250 -18.555 -13.589
  407    HG3  LYS  56           HG1      LYS  56   4.739 -19.078 -14.332
  408    HD2  LYS  56           HD2      LYS  56   7.356 -19.968 -15.527
  409    HD3  LYS  56           HD1      LYS  56   6.715 -20.786 -14.106
  410    HE2  LYS  56           HE2      LYS  56   4.798 -20.304 -16.329
  411    HE3  LYS  56           HE1      LYS  56   6.049 -21.513 -16.611
  412    HZ1  LYS  56           HZ1      LYS  56   5.144 -21.980 -14.060
  413    HZ2  LYS  56           HZ2      LYS  56   4.803 -22.904 -15.445
  414    HZ3  LYS  56           HZ3      LYS  56   3.741 -21.669 -14.961
  415    H    LYS  57           HN       LYS  57   6.092 -16.602 -12.537
  416    HA   LYS  57           HA       LYS  57   3.313 -17.169 -11.749
  417    HB2  LYS  57           HB2      LYS  57   5.995 -17.681 -10.513
  418    HB3  LYS  57           HB1      LYS  57   4.567 -17.593  -9.481
  419    HG2  LYS  57           HG2      LYS  57   3.466 -19.335 -10.807
  420    HG3  LYS  57           HG1      LYS  57   4.847 -19.396 -11.904
  421    HD2  LYS  57           HD2      LYS  57   6.260 -19.905  -9.808
  422    HD3  LYS  57           HD1      LYS  57   4.723 -20.235  -9.007
  423    HE2  LYS  57           HE2      LYS  57   5.673 -22.311  -9.921
  424    HE3  LYS  57           HE1      LYS  57   4.177 -21.899 -10.758
  425    HZ1  LYS  57           HZ1      LYS  57   6.056 -22.552 -12.233
  426    HZ2  LYS  57           HZ2      LYS  57   6.867 -21.140 -11.748
  427    HZ3  LYS  57           HZ3      LYS  57   5.390 -21.031 -12.581
  428    H    GLY  58           HN       GLY  58   5.875 -14.822 -11.431
  429    HA2  GLY  58           HA2      GLY  58   4.649 -13.357  -9.272
  430    HA3  GLY  58           HA1      GLY  58   6.023 -12.837 -10.244
  431    H    HIS  59           HN       HIS  59   4.516 -13.327 -12.758
  432    HA   HIS  59           HA       HIS  59   3.542 -10.737 -13.204
  433    HB2  HIS  59           HB2      HIS  59   4.062 -12.969 -14.767
  434    HB3  HIS  59           HB1      HIS  59   2.320 -12.744 -14.932
  435    HD2  HIS  59           HD2      HIS  59   5.568 -10.480 -15.393
  436    HE1  HIS  59           HE1      HIS  59   2.465  -8.974 -17.828
  437    HE2  HIS  59           HE2      HIS  59   4.906  -8.699 -17.184
  438    H    HIS  60           HN       HIS  60   2.111 -13.358 -11.586
  439    HA   HIS  60           HA       HIS  60  -0.463 -11.926 -11.522
  440    HB2  HIS  60           HB2      HIS  60  -0.007 -14.824 -12.191
  441    HB3  HIS  60           HB1      HIS  60  -1.525 -14.286 -11.473
  442    HD2  HIS  60           HD2      HIS  60  -2.248 -11.648 -13.122
  443    HE1  HIS  60           HE1      HIS  60  -1.363 -13.822 -16.631
  444    HE2  HIS  60           HE2      HIS  60  -2.518 -11.753 -15.717
  445    H    HIS  61           HN       HIS  61   0.037 -15.102 -10.180
  446    HA   HIS  61           HA       HIS  61   0.668 -14.061  -7.529
  447    HB2  HIS  61           HB2      HIS  61  -1.970 -14.248  -8.146
  448    HB3  HIS  61           HB1      HIS  61  -1.668 -15.871  -7.527
  449    HD2  HIS  61           HD2      HIS  61   0.628 -14.699  -5.239
  450    HE1  HIS  61           HE1      HIS  61  -2.808 -12.840  -3.640
  451    HE2  HIS  61           HE2      HIS  61  -0.414 -13.531  -3.149
  452    H    HIS  62           HN       HIS  62  -0.684 -17.034  -8.981
  453    HA   HIS  62           HA       HIS  62   1.737 -18.515  -8.664
  454    HB2  HIS  62           HB2      HIS  62   1.334 -18.630  -6.353
  455    HB3  HIS  62           HB1      HIS  62  -0.410 -18.780  -6.572
  456    HD2  HIS  62           HD2      HIS  62   2.785 -21.058  -7.266
  457    HE1  HIS  62           HE1      HIS  62  -0.596 -23.530  -6.735
  458    HE2  HIS  62           HE2      HIS  62   1.917 -23.515  -7.104
  459    H    HIS  63           HN       HIS  63   1.617 -19.718 -10.444
  460    HA   HIS  63           HA       HIS  63   0.769 -20.996 -12.159
  461    HB2  HIS  63           HB2      HIS  63   0.598 -22.430  -9.957
  462    HB3  HIS  63           HB1      HIS  63  -1.136 -22.232 -10.211
  463    HD2  HIS  63           HD2      HIS  63   1.681 -24.477 -11.469
  464    HE1  HIS  63           HE1      HIS  63  -1.415 -24.814 -14.319
  465    HE2  HIS  63           HE2      HIS  63   0.790 -25.801 -13.535
  466    H    HIS  64           HN       HIS  64  -0.424 -18.469 -11.934
  467    HA   HIS  64           HA       HIS  64  -2.339 -17.266 -12.415
  468    HB2  HIS  64           HB2      HIS  64  -2.802 -19.580 -14.306
  469    HB3  HIS  64           HB1      HIS  64  -3.329 -17.909 -14.508
  470    HD2  HIS  64           HD2      HIS  64  -0.037 -20.029 -14.842
  471    HE1  HIS  64           HE1      HIS  64   0.770 -16.123 -16.225
  472    HE2  HIS  64           HE2      HIS  64   1.701 -18.477 -16.021
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  27.583 -12.820 -16.894
    2    H2   MET   1           HT2      MET   1  27.681 -11.927 -18.336
    3    H3   MET   1           HT3      MET   1  28.634 -13.319 -18.127
    4    HA   MET   1           HA       MET   1  26.189 -13.190 -19.350
    5    HB2  MET   1           HB2      MET   1  28.106 -14.856 -19.568
    6    HB3  MET   1           HB1      MET   1  27.450 -15.662 -18.142
    7    HG2  MET   1           HG2      MET   1  26.394 -16.824 -19.874
    8    HG3  MET   1           HG1      MET   1  25.192 -15.597 -19.476
    9    HE1  MET   1           HE1      MET   1  27.448 -16.277 -23.306
   10    HE2  MET   1           HE2      MET   1  26.655 -17.402 -22.205
   11    HE3  MET   1           HE3      MET   1  28.150 -16.611 -21.717
   12    H    GLU   2           HN       GLU   2  26.799 -15.147 -16.427
   13    HA   GLU   2           HA       GLU   2  24.170 -15.703 -15.782
   14    HB2  GLU   2           HB2      GLU   2  26.508 -15.256 -13.913
   15    HB3  GLU   2           HB1      GLU   2  24.983 -16.011 -13.450
   16    HG2  GLU   2           HG2      GLU   2  26.608 -17.040 -15.775
   17    HG3  GLU   2           HG1      GLU   2  26.916 -17.581 -14.125
   18    H    GLU   3           HN       GLU   3  22.741 -14.013 -16.012
   19    HA   GLU   3           HA       GLU   3  23.075 -11.391 -15.091
   20    HB2  GLU   3           HB2      GLU   3  20.527 -11.363 -15.083
   21    HB3  GLU   3           HB1      GLU   3  21.291 -11.826 -16.604
   22    HG2  GLU   3           HG2      GLU   3  20.759 -14.090 -16.335
   23    HG3  GLU   3           HG1      GLU   3  20.556 -13.934 -14.591
   24    H    GLY   4           HN       GLY   4  21.120 -10.654 -13.427
   25    HA2  GLY   4           HA2      GLY   4  20.443 -10.547 -11.225
   26    HA3  GLY   4           HA1      GLY   4  20.834 -12.260 -11.087
   27    H    GLY   5           HN       GLY   5  22.743  -9.306 -11.719
   28    HA2  GLY   5           HA2      GLY   5  24.976 -10.249 -10.193
   29    HA3  GLY   5           HA1      GLY   5  24.782  -8.633 -10.866
   30    H    ASP   6           HN       ASP   6  23.683 -10.722  -8.208
   31    HA   ASP   6           HA       ASP   6  24.207  -8.871  -6.175
   32    HB2  ASP   6           HB2      ASP   6  21.663  -8.446  -5.664
   33    HB3  ASP   6           HB1      ASP   6  22.527  -7.399  -6.788
   34    H    PHE   7           HN       PHE   7  24.923 -11.179  -5.772
   35    HA   PHE   7           HA       PHE   7  22.888 -13.058  -4.941
   36    HB2  PHE   7           HB2      PHE   7  25.683 -13.486  -4.079
   37    HB3  PHE   7           HB1      PHE   7  24.569 -14.586  -4.890
   38    HD1  PHE   7           HD2      PHE   7  23.782 -13.342  -7.315
   39    HD2  PHE   7           HD1      PHE   7  27.607 -13.158  -5.367
   40    HE1  PHE   7           HE2      PHE   7  24.868 -12.852  -9.490
   41    HE2  PHE   7           HE1      PHE   7  28.692 -12.668  -7.541
   42    HZ   PHE   7           HZ       PHE   7  27.322 -12.515  -9.604
   43    H    ASP   8           HN       ASP   8  23.449 -14.153  -2.680
   44    HA   ASP   8           HA       ASP   8  22.775 -12.202  -0.699
   45    HB2  ASP   8           HB2      ASP   8  23.330 -15.154  -0.663
   46    HB3  ASP   8           HB1      ASP   8  23.171 -14.257   0.847
   47    H    ASN   9           HN       ASN   9  25.550 -12.359  -2.147
   48    HA   ASN   9           HA       ASN   9  27.645 -12.924  -0.520
   49    HB2  ASN   9           HB2      ASN   9  28.411 -10.472  -1.480
   50    HB3  ASN   9           HB1      ASN   9  28.517 -11.986  -2.376
   51   HD21  ASN   9          HD21      ASN   9  26.292  -9.221  -1.789
   52   HD22  ASN   9          HD22      ASN   9  25.514  -9.341  -3.292
   53    H    TYR  10           HN       TYR  10  26.754  -9.507  -0.653
   54    HA   TYR  10           HA       TYR  10  27.815  -8.656   1.691
   55    HB2  TYR  10           HB2      TYR  10  26.608  -6.746   1.396
   56    HB3  TYR  10           HB1      TYR  10  26.228  -7.491  -0.157
   57    HD1  TYR  10           HD2      TYR  10  24.285  -9.455   0.216
   58    HD2  TYR  10           HD1      TYR  10  24.742  -5.807   2.439
   59    HE1  TYR  10           HE2      TYR  10  21.883  -9.525   0.826
   60    HE2  TYR  10           HE1      TYR  10  22.341  -5.878   3.049
   61    HH   TYR  10           HH       TYR  10  20.522  -7.348   3.185
   62    H    TYR  11           HN       TYR  11  26.949  -8.228   3.817
   63    HA   TYR  11           HA       TYR  11  26.172  -9.122   5.803
   64    HB2  TYR  11           HB2      TYR  11  24.206  -7.851   4.644
   65    HB3  TYR  11           HB1      TYR  11  23.540  -9.466   4.401
   66    HD1  TYR  11           HD1      TYR  11  24.895  -7.176   7.024
   67    HD2  TYR  11           HD2      TYR  11  22.452 -10.603   6.161
   68    HE1  TYR  11           HE1      TYR  11  24.109  -7.209   9.375
   69    HE2  TYR  11           HE2      TYR  11  21.665 -10.634   8.512
   70    HH   TYR  11           HH       TYR  11  22.057  -8.069  10.615
   71    H    GLY  12           HN       GLY  12  27.392 -11.057   4.138
   72    HA2  GLY  12           HA2      GLY  12  26.929 -13.428   5.369
   73    HA3  GLY  12           HA1      GLY  12  25.735 -13.427   4.075
   74    H    ALA  13           HN       ALA  13  28.788 -11.807   3.695
   75    HA   ALA  13           HA       ALA  13  29.617 -13.876   1.748
   76    HB1  ALA  13           HB1      ALA  13  29.492 -10.971   1.616
   77    HB2  ALA  13           HB2      ALA  13  29.693 -12.145   0.316
   78    HB3  ALA  13           HB3      ALA  13  31.098 -11.582   1.221
   79    H    ASP  14           HN       ASP  14  30.645 -11.793   4.388
   80    HA   ASP  14           HA       ASP  14  33.356 -12.887   4.327
   81    HB2  ASP  14           HB2      ASP  14  31.985 -10.715   5.889
   82    HB3  ASP  14           HB1      ASP  14  33.534 -11.363   6.424
   83    H    ASN  15           HN       ASN  15  30.341 -13.359   5.928
   84    HA   ASN  15           HA       ASN  15  31.204 -14.499   8.352
   85    HB2  ASN  15           HB2      ASN  15  28.770 -13.946   7.203
   86    HB3  ASN  15           HB1      ASN  15  28.801 -15.709   7.179
   87   HD21  ASN  15          HD21      ASN  15  28.909 -16.836   9.256
   88   HD22  ASN  15          HD22      ASN  15  28.587 -16.025  10.712
   89    H    GLN  16           HN       GLN  16  31.116 -15.721   5.105
   90    HA   GLN  16           HA       GLN  16  31.726 -18.448   6.053
   91    HB2  GLN  16           HB2      GLN  16  31.201 -19.178   3.789
   92    HB3  GLN  16           HB1      GLN  16  29.874 -18.200   4.417
   93    HG2  GLN  16           HG2      GLN  16  30.085 -17.012   2.499
   94    HG3  GLN  16           HG1      GLN  16  31.503 -16.299   3.268
   95   HE21  GLN  16          HE21      GLN  16  30.442 -18.668   0.862
   96   HE22  GLN  16          HE22      GLN  16  31.980 -18.941   0.200
   97    H    SER  17           HN       SER  17  33.042 -15.683   4.409
   98    HA   SER  17           HA       SER  17  35.330 -17.105   3.343
   99    HB2  SER  17           HB2      SER  17  34.173 -14.919   2.454
  100    HB3  SER  17           HB1      SER  17  35.223 -14.124   3.624
  101    HG   SER  17           HG       SER  17  36.931 -15.480   2.599
  102    H    GLU  18           HN       GLU  18  34.489 -15.383   6.242
  103    HA   GLU  18           HA       GLU  18  37.038 -14.673   7.177
  104    HB2  GLU  18           HB2      GLU  18  34.379 -15.176   8.419
  105    HB3  GLU  18           HB1      GLU  18  35.784 -15.158   9.486
  106    HG2  GLU  18           HG2      GLU  18  36.305 -12.937   8.982
  107    HG3  GLU  18           HG1      GLU  18  35.424 -12.974   7.456
  108    H    CYS  19           HN       CYS  19  35.146 -17.332   8.575
  109    HA   CYS  19           HA       CYS  19  37.180 -18.695   9.810
  110    HB2  CYS  19           HB2      CYS  19  34.735 -19.238   9.944
  111    HB3  CYS  19           HB1      CYS  19  34.877 -20.027   8.372
  112    HG   CYS  19           HG       CYS  19  36.926 -21.101  10.350
  113    H    GLU  20           HN       GLU  20  36.443 -18.573   6.408
  114    HA   GLU  20           HA       GLU  20  38.243 -20.780   5.772
  115    HB2  GLU  20           HB2      GLU  20  36.716 -18.908   3.947
  116    HB3  GLU  20           HB1      GLU  20  37.575 -20.367   3.452
  117    HG2  GLU  20           HG2      GLU  20  35.359 -20.390   5.512
  118    HG3  GLU  20           HG1      GLU  20  35.065 -20.637   3.792
  119    H    TYR  21           HN       TYR  21  38.317 -17.354   6.060
  120    HA   TYR  21           HA       TYR  21  40.235 -16.526   4.271
  121    HB2  TYR  21           HB2      TYR  21  39.061 -15.049   5.885
  122    HB3  TYR  21           HB1      TYR  21  40.060 -15.709   7.181
  123    HD1  TYR  21           HD2      TYR  21  42.577 -15.439   7.060
  124    HD2  TYR  21           HD1      TYR  21  39.892 -13.357   4.432
  125    HE1  TYR  21           HE2      TYR  21  44.377 -13.829   6.498
  126    HE2  TYR  21           HE1      TYR  21  41.691 -11.747   3.870
  127    HH   TYR  21           HH       TYR  21  43.832 -10.904   5.033
  128    H    THR  22           HN       THR  22  40.637 -18.520   7.109
  129    HA   THR  22           HA       THR  22  43.514 -18.279   7.173
  130    HB   THR  22           HB       THR  22  43.368 -20.087   8.863
  131    HG1  THR  22           HG1      THR  22  40.991 -20.446   9.416
  132   HG21  THR  22          HG21      THR  22  41.258 -17.959   9.296
  133   HG22  THR  22          HG22      THR  22  42.991 -17.660   9.423
  134   HG23  THR  22          HG23      THR  22  42.207 -18.785  10.532
  135    H    ASP  23           HN       ASP  23  41.201 -20.223   5.509
  136    HA   ASP  23           HA       ASP  23  43.298 -22.137   4.695
  137    HB2  ASP  23           HB2      ASP  23  40.374 -22.320   5.083
  138    HB3  ASP  23           HB1      ASP  23  41.010 -23.171   3.676
  139    H    TRP  24           HN       TRP  24  40.497 -20.419   3.296
  140    HA   TRP  24           HA       TRP  24  40.806 -20.780   0.645
  141    HB2  TRP  24           HB2      TRP  24  39.122 -19.294   0.879
  142    HB3  TRP  24           HB1      TRP  24  39.855 -18.548   2.299
  143    HD1  TRP  24           HD1      TRP  24  39.461 -18.140  -1.407
  144    HE1  TRP  24           HE1      TRP  24  40.680 -16.004  -2.183
  145    HE3  TRP  24           HE3      TRP  24  42.044 -17.003   2.848
  146    HZ2  TRP  24           HZ2      TRP  24  42.510 -14.070  -1.137
  147    HZ3  TRP  24           HZ3      TRP  24  43.517 -15.011   2.932
  148    HH2  TRP  24           HH2      TRP  24  43.752 -13.544   0.946
  149    H    LYS  25           HN       LYS  25  42.881 -18.792   2.679
  150    HA   LYS  25           HA       LYS  25  44.307 -17.378   0.763
  151    HB2  LYS  25           HB2      LYS  25  44.480 -17.390   3.374
  152    HB3  LYS  25           HB1      LYS  25  45.730 -18.605   3.101
  153    HG2  LYS  25           HG2      LYS  25  46.835 -17.009   1.503
  154    HG3  LYS  25           HG1      LYS  25  45.661 -15.787   1.991
  155    HD2  LYS  25           HD2      LYS  25  46.452 -16.430   4.424
  156    HD3  LYS  25           HD1      LYS  25  47.888 -17.015   3.584
  157    HE2  LYS  25           HE2      LYS  25  48.426 -14.773   4.061
  158    HE3  LYS  25           HE1      LYS  25  47.862 -14.704   2.393
  159    HZ1  LYS  25           HZ1      LYS  25  46.539 -13.791   4.842
  160    HZ2  LYS  25           HZ2      LYS  25  45.569 -14.346   3.563
  161    HZ3  LYS  25           HZ3      LYS  25  46.634 -13.043   3.323
  162    H    SER  26           HN       SER  26  44.792 -20.693   1.914
  163    HA   SER  26           HA       SER  26  46.807 -21.098  -0.210
  164    HB2  SER  26           HB2      SER  26  46.320 -22.481   2.421
  165    HB3  SER  26           HB1      SER  26  47.303 -23.212   1.156
  166    HG   SER  26           HG       SER  26  47.756 -20.548   1.926
  167    H    SER  27           HN       SER  27  43.616 -21.825   0.733
  168    HA   SER  27           HA       SER  27  43.506 -24.207  -0.998
  169    HB2  SER  27           HB2      SER  27  41.576 -23.107   1.052
  170    HB3  SER  27           HB1      SER  27  41.207 -24.468  -0.002
  171    HG   SER  27           HG       SER  27  42.758 -25.651   0.970
  172    H    GLY  28           HN       GLY  28  43.197 -20.963  -1.293
  173    HA2  GLY  28           HA2      GLY  28  40.758 -20.786  -2.814
  174    HA3  GLY  28           HA1      GLY  28  41.987 -19.535  -2.660
  175    H    ALA  29           HN       ALA  29  43.520 -22.348  -3.500
  176    HA   ALA  29           HA       ALA  29  43.593 -21.552  -6.340
  177    HB1  ALA  29           HB1      ALA  29  45.598 -23.492  -5.545
  178    HB2  ALA  29           HB2      ALA  29  45.644 -22.063  -4.511
  179    HB3  ALA  29           HB3      ALA  29  45.809 -21.892  -6.258
  180    H    LEU  30           HN       LEU  30  42.221 -23.817  -4.322
  181    HA   LEU  30           HA       LEU  30  41.892 -25.714  -6.564
  182    HB2  LEU  30           HB2      LEU  30  42.017 -27.586  -5.020
  183    HB3  LEU  30           HB1      LEU  30  43.492 -26.625  -4.895
  184    HG   LEU  30           HG       LEU  30  41.781 -25.427  -3.060
  185   HD11  LEU  30          HD11      LEU  30  40.855 -27.214  -1.717
  186   HD12  LEU  30          HD12      LEU  30  41.585 -28.437  -2.756
  187   HD13  LEU  30          HD13      LEU  30  40.275 -27.427  -3.369
  188   HD21  LEU  30          HD21      LEU  30  43.922 -27.547  -2.703
  189   HD22  LEU  30          HD22      LEU  30  43.273 -26.572  -1.385
  190   HD23  LEU  30          HD23      LEU  30  44.155 -25.799  -2.703
  191    H    ILE  31           HN       ILE  31  40.445 -23.658  -4.373
  192    HA   ILE  31           HA       ILE  31  38.060 -25.188  -3.864
  193    HB   ILE  31           HB       ILE  31  38.950 -22.389  -3.281
  194   HG12  ILE  31          HG12      ILE  31  37.644 -24.444  -1.496
  195   HG13  ILE  31          HG11      ILE  31  39.373 -24.485  -1.844
  196   HG21  ILE  31          HG21      ILE  31  36.119 -23.433  -3.330
  197   HG22  ILE  31          HG22      ILE  31  36.735 -21.900  -3.950
  198   HG23  ILE  31          HG23      ILE  31  36.604 -22.160  -2.211
  199   HD11  ILE  31          HD11      ILE  31  38.291 -23.071   0.213
  200   HD12  ILE  31          HD12      ILE  31  38.303 -21.840  -1.050
  201   HD13  ILE  31          HD13      ILE  31  39.805 -22.635  -0.579
  202    HA   PRO  32           HA       PRO  32  36.485 -22.049  -7.314
  203    HB2  PRO  32           HB2      PRO  32  38.731 -22.457  -9.216
  204    HB3  PRO  32           HB1      PRO  32  37.831 -20.978  -8.833
  205    HG2  PRO  32           HG2      PRO  32  40.329 -21.359  -7.983
  206    HG3  PRO  32           HG1      PRO  32  39.126 -20.502  -7.003
  207    HD2  PRO  32           HD2      PRO  32  40.170 -23.291  -6.691
  208    HD3  PRO  32           HD1      PRO  32  39.698 -22.116  -5.445
  209    H    ALA  33           HN       ALA  33  38.403 -24.955  -7.837
  210    HA   ALA  33           HA       ALA  33  37.179 -25.956 -10.142
  211    HB1  ALA  33           HB1      ALA  33  37.704 -28.219  -8.685
  212    HB2  ALA  33           HB2      ALA  33  38.786 -27.044  -7.936
  213    HB3  ALA  33           HB3      ALA  33  38.887 -27.358  -9.669
  214    H    ILE  34           HN       ILE  34  36.493 -27.084  -6.824
  215    HA   ILE  34           HA       ILE  34  34.124 -28.428  -7.436
  216    HB   ILE  34           HB       ILE  34  35.282 -27.259  -4.934
  217   HG12  ILE  34          HG12      ILE  34  35.752 -29.575  -6.134
  218   HG13  ILE  34          HG11      ILE  34  35.655 -29.481  -4.377
  219   HG21  ILE  34          HG21      ILE  34  33.256 -28.376  -3.767
  220   HG22  ILE  34          HG22      ILE  34  32.447 -28.217  -5.326
  221   HG23  ILE  34          HG23      ILE  34  33.016 -26.780  -4.477
  222   HD11  ILE  34          HD11      ILE  34  34.298 -31.343  -5.563
  223   HD12  ILE  34          HD12      ILE  34  33.199 -30.048  -6.037
  224   HD13  ILE  34          HD13      ILE  34  33.476 -30.388  -4.329
  225    H    TYR  35           HN       TYR  35  34.705 -25.048  -6.638
  226    HA   TYR  35           HA       TYR  35  32.034 -24.239  -6.270
  227    HB2  TYR  35           HB2      TYR  35  34.541 -23.008  -6.272
  228    HB3  TYR  35           HB1      TYR  35  33.655 -22.214  -7.574
  229    HD1  TYR  35           HD2      TYR  35  33.085 -23.438  -4.070
  230    HD2  TYR  35           HD1      TYR  35  32.272 -20.416  -7.014
  231    HE1  TYR  35           HE2      TYR  35  31.781 -22.158  -2.395
  232    HE2  TYR  35           HE1      TYR  35  30.967 -19.137  -5.339
  233    HH   TYR  35           HH       TYR  35  29.636 -19.913  -3.065
  234    H    MET  36           HN       MET  36  34.072 -23.733  -9.161
  235    HA   MET  36           HA       MET  36  32.084 -22.880 -10.891
  236    HB2  MET  36           HB2      MET  36  34.705 -24.270 -11.274
  237    HB3  MET  36           HB1      MET  36  33.634 -24.073 -12.660
  238    HG2  MET  36           HG2      MET  36  35.356 -22.192 -12.181
  239    HG3  MET  36           HG1      MET  36  33.692 -21.720 -12.524
  240    HE1  MET  36           HE1      MET  36  32.146 -20.535 -10.987
  241    HE2  MET  36           HE2      MET  36  33.502 -19.544 -11.519
  242    HE3  MET  36           HE3      MET  36  32.938 -19.430  -9.854
  243    H    LEU  37           HN       LEU  37  33.345 -26.214 -10.612
  244    HA   LEU  37           HA       LEU  37  31.621 -27.494 -12.337
  245    HB2  LEU  37           HB2      LEU  37  33.521 -28.577 -11.147
  246    HB3  LEU  37           HB1      LEU  37  32.557 -28.577  -9.669
  247    HG   LEU  37           HG       LEU  37  30.957 -29.671 -11.776
  248   HD11  LEU  37          HD11      LEU  37  32.345 -31.674 -12.295
  249   HD12  LEU  37          HD12      LEU  37  33.708 -30.914 -11.473
  250   HD13  LEU  37          HD13      LEU  37  33.047 -30.189 -12.938
  251   HD21  LEU  37          HD21      LEU  37  30.686 -30.160  -9.392
  252   HD22  LEU  37          HD22      LEU  37  32.292 -30.887  -9.336
  253   HD23  LEU  37          HD23      LEU  37  31.008 -31.659 -10.265
  254    H    VAL  38           HN       VAL  38  31.016 -26.386  -9.055
  255    HA   VAL  38           HA       VAL  38  28.368 -27.610  -9.001
  256    HB   VAL  38           HB       VAL  38  29.905 -25.918  -7.024
  257   HG11  VAL  38          HG11      VAL  38  27.882 -26.744  -5.540
  258   HG12  VAL  38          HG12      VAL  38  27.038 -26.799  -7.087
  259   HG13  VAL  38          HG13      VAL  38  27.725 -25.280  -6.512
  260   HG21  VAL  38          HG21      VAL  38  30.167 -27.926  -5.814
  261   HG22  VAL  38          HG22      VAL  38  30.392 -28.433  -7.488
  262   HG23  VAL  38          HG23      VAL  38  28.853 -28.724  -6.678
  263    H    PHE  39           HN       PHE  39  29.838 -24.619  -9.854
  264    HA   PHE  39           HA       PHE  39  27.498 -22.977  -9.476
  265    HB2  PHE  39           HB2      PHE  39  30.078 -22.344  -9.662
  266    HB3  PHE  39           HB1      PHE  39  29.663 -22.187 -11.368
  267    HD1  PHE  39           HD1      PHE  39  28.330 -21.245  -7.988
  268    HD2  PHE  39           HD2      PHE  39  28.800 -20.148 -12.115
  269    HE1  PHE  39           HE1      PHE  39  27.280 -19.046  -7.524
  270    HE2  PHE  39           HE2      PHE  39  27.751 -17.949 -11.650
  271    HZ   PHE  39           HZ       PHE  39  26.992 -17.398  -9.355
  272    H    LEU  40           HN       LEU  40  29.255 -24.047 -12.400
  273    HA   LEU  40           HA       LEU  40  27.230 -23.273 -14.212
  274    HB2  LEU  40           HB2      LEU  40  28.427 -24.702 -15.833
  275    HB3  LEU  40           HB1      LEU  40  29.537 -23.672 -14.930
  276    HG   LEU  40           HG       LEU  40  29.383 -25.918 -13.333
  277   HD11  LEU  40          HD11      LEU  40  28.111 -26.968 -15.301
  278   HD12  LEU  40          HD12      LEU  40  29.509 -27.861 -14.704
  279   HD13  LEU  40          HD13      LEU  40  29.639 -26.904 -16.179
  280   HD21  LEU  40          HD21      LEU  40  31.463 -24.835 -13.776
  281   HD22  LEU  40          HD22      LEU  40  31.310 -25.095 -15.514
  282   HD23  LEU  40          HD23      LEU  40  31.633 -26.459 -14.445
  283    H    LEU  41           HN       LEU  41  27.040 -25.537 -11.856
  284    HA   LEU  41           HA       LEU  41  25.402 -27.417 -13.422
  285    HB2  LEU  41           HB2      LEU  41  27.058 -27.619 -11.015
  286    HB3  LEU  41           HB1      LEU  41  25.479 -28.381 -10.836
  287    HG   LEU  41           HG       LEU  41  27.301 -28.868 -13.208
  288   HD11  LEU  41          HD11      LEU  41  27.404 -29.905 -10.479
  289   HD12  LEU  41          HD12      LEU  41  28.572 -30.081 -11.788
  290   HD13  LEU  41          HD13      LEU  41  27.205 -31.189 -11.671
  291   HD21  LEU  41          HD21      LEU  41  25.467 -30.988 -12.522
  292   HD22  LEU  41          HD22      LEU  41  25.565 -30.059 -14.017
  293   HD23  LEU  41          HD23      LEU  41  24.577 -29.473 -12.680
  294    H    GLY  42           HN       GLY  42  25.292 -25.585 -10.362
  295    HA2  GLY  42           HA2      GLY  42  22.357 -25.802 -10.372
  296    HA3  GLY  42           HA1      GLY  42  23.351 -25.327  -8.998
  297    H    THR  43           HN       THR  43  24.397 -23.868 -11.854
  298    HA   THR  43           HA       THR  43  22.741 -21.466 -11.404
  299    HB   THR  43           HB       THR  43  25.613 -21.079 -12.081
  300    HG1  THR  43           HG1      THR  43  25.479 -20.992  -9.488
  301   HG21  THR  43          HG21      THR  43  23.791 -19.633 -10.147
  302   HG22  THR  43          HG22      THR  43  23.858 -19.259 -11.869
  303   HG23  THR  43          HG23      THR  43  25.288 -19.038 -10.862
  304    H    THR  44           HN       THR  44  22.845 -23.660 -13.452
  305    HA   THR  44           HA       THR  44  23.138 -21.917 -15.823
  306    HB   THR  44           HB       THR  44  24.030 -24.783 -15.486
  307    HG1  THR  44           HG1      THR  44  25.196 -22.298 -15.810
  308   HG21  THR  44          HG21      THR  44  24.622 -24.438 -18.000
  309   HG22  THR  44          HG22      THR  44  23.375 -23.192 -17.954
  310   HG23  THR  44          HG23      THR  44  22.963 -24.863 -17.575
  311    H    GLY  45           HN       GLY  45  21.614 -24.764 -14.380
  312    HA2  GLY  45           HA2      GLY  45  19.285 -24.338 -16.159
  313    HA3  GLY  45           HA1      GLY  45  19.869 -25.950 -15.756
  314    H    ASN  46           HN       ASN  46  20.119 -23.609 -13.273
  315    HA   ASN  46           HA       ASN  46  17.648 -24.609 -11.989
  316    HB2  ASN  46           HB2      ASN  46  20.401 -24.260 -10.801
  317    HB3  ASN  46           HB1      ASN  46  18.947 -24.402  -9.814
  318   HD21  ASN  46          HD21      ASN  46  21.076 -26.163 -12.041
  319   HD22  ASN  46          HD22      ASN  46  20.442 -27.700 -11.700
  320    H    GLY  47           HN       GLY  47  20.153 -22.075 -11.859
  321    HA2  GLY  47           HA2      GLY  47  18.599 -20.227 -10.366
  322    HA3  GLY  47           HA1      GLY  47  20.030 -19.839 -11.315
  323    H    LEU  48           HN       LEU  48  19.234 -20.559 -13.853
  324    HA   LEU  48           HA       LEU  48  17.850 -18.316 -14.756
  325    HB2  LEU  48           HB2      LEU  48  19.288 -19.813 -16.161
  326    HB3  LEU  48           HB1      LEU  48  17.993 -21.007 -16.137
  327    HG   LEU  48           HG       LEU  48  16.457 -19.321 -17.152
  328   HD11  LEU  48          HD11      LEU  48  17.926 -17.400 -18.302
  329   HD12  LEU  48          HD12      LEU  48  18.904 -17.632 -16.855
  330   HD13  LEU  48          HD13      LEU  48  17.205 -17.185 -16.708
  331   HD21  LEU  48          HD21      LEU  48  18.267 -19.126 -19.274
  332   HD22  LEU  48          HD22      LEU  48  17.129 -20.444 -18.990
  333   HD23  LEU  48          HD23      LEU  48  18.783 -20.563 -18.390
  334    H    VAL  49           HN       VAL  49  16.641 -21.647 -14.348
  335    HA   VAL  49           HA       VAL  49  13.982 -21.145 -15.092
  336    HB   VAL  49           HB       VAL  49  15.304 -23.229 -13.378
  337   HG11  VAL  49          HG11      VAL  49  12.941 -24.328 -13.507
  338   HG12  VAL  49          HG12      VAL  49  12.364 -22.676 -13.728
  339   HG13  VAL  49          HG13      VAL  49  13.239 -23.115 -12.262
  340   HG21  VAL  49          HG21      VAL  49  13.649 -23.466 -15.903
  341   HG22  VAL  49          HG22      VAL  49  14.731 -24.673 -15.210
  342   HG23  VAL  49          HG23      VAL  49  15.392 -23.202 -15.925
  343    H    LEU  50           HN       LEU  50  15.166 -21.645 -11.759
  344    HA   LEU  50           HA       LEU  50  12.933 -20.791 -10.391
  345    HB2  LEU  50           HB2      LEU  50  15.864 -20.696  -9.753
  346    HB3  LEU  50           HB1      LEU  50  14.698 -19.982  -8.640
  347    HG   LEU  50           HG       LEU  50  14.134 -22.726  -9.679
  348   HD11  LEU  50          HD11      LEU  50  16.373 -23.137  -9.071
  349   HD12  LEU  50          HD12      LEU  50  15.478 -23.532  -7.604
  350   HD13  LEU  50          HD13      LEU  50  16.316 -21.986  -7.736
  351   HD21  LEU  50          HD21      LEU  50  12.940 -22.934  -7.657
  352   HD22  LEU  50          HD22      LEU  50  12.702 -21.239  -8.086
  353   HD23  LEU  50          HD23      LEU  50  13.891 -21.680  -6.861
  354    H    TRP  51           HN       TRP  51  15.320 -18.882 -12.072
  355    HA   TRP  51           HA       TRP  51  14.516 -16.367 -10.906
  356    HB2  TRP  51           HB2      TRP  51  16.783 -16.580 -11.710
  357    HB3  TRP  51           HB1      TRP  51  16.217 -17.043 -13.315
  358    HD1  TRP  51           HD1      TRP  51  16.582 -14.042 -11.003
  359    HE1  TRP  51           HE1      TRP  51  16.209 -11.886 -12.367
  360    HE3  TRP  51           HE3      TRP  51  15.012 -16.054 -15.427
  361    HZ2  TRP  51           HZ2      TRP  51  15.358 -11.116 -14.986
  362    HZ3  TRP  51           HZ3      TRP  51  14.427 -14.587 -17.337
  363    HH2  TRP  51           HH2      TRP  51  14.598 -12.123 -17.122
  364    H    THR  52           HN       THR  52  14.049 -17.977 -14.048
  365    HA   THR  52           HA       THR  52  12.434 -15.944 -15.184
  366    HB   THR  52           HB       THR  52  12.714 -18.892 -15.785
  367    HG1  THR  52           HG1      THR  52  14.394 -18.095 -16.734
  368   HG21  THR  52          HG21      THR  52  10.644 -18.586 -16.731
  369   HG22  THR  52          HG22      THR  52  11.621 -17.901 -18.029
  370   HG23  THR  52          HG23      THR  52  10.843 -16.838 -16.856
  371    H    VAL  53           HN       VAL  53  11.567 -19.056 -13.665
  372    HA   VAL  53           HA       VAL  53   8.805 -18.870 -13.837
  373    HB   VAL  53           HB       VAL  53  10.548 -20.075 -11.680
  374   HG11  VAL  53          HG11      VAL  53   7.554 -20.109 -12.083
  375   HG12  VAL  53          HG12      VAL  53   8.455 -19.745 -10.612
  376   HG13  VAL  53          HG13      VAL  53   8.387 -21.400 -11.217
  377   HG21  VAL  53          HG21      VAL  53  10.025 -22.167 -12.835
  378   HG22  VAL  53          HG22      VAL  53  10.701 -21.019 -13.990
  379   HG23  VAL  53          HG23      VAL  53   8.963 -21.312 -13.954
  380    H    PHE  54           HN       PHE  54  10.876 -17.796 -11.134
  381    HA   PHE  54           HA       PHE  54   8.956 -16.707  -9.478
  382    HB2  PHE  54           HB2      PHE  54  11.834 -16.169  -9.983
  383    HB3  PHE  54           HB1      PHE  54  10.939 -14.929  -9.102
  384    HD1  PHE  54           HD1      PHE  54  10.495 -18.643  -9.129
  385    HD2  PHE  54           HD2      PHE  54  11.571 -15.167  -6.847
  386    HE1  PHE  54           HE1      PHE  54  10.597 -20.025  -7.072
  387    HE2  PHE  54           HE2      PHE  54  11.674 -16.549  -4.790
  388    HZ   PHE  54           HZ       PHE  54  11.187 -18.979  -4.903
  389    H    ARG  55           HN       ARG  55  10.628 -15.136 -12.195
  390    HA   ARG  55           HA       ARG  55   9.147 -12.684 -11.933
  391    HB2  ARG  55           HB2      ARG  55  11.303 -13.736 -13.609
  392    HB3  ARG  55           HB1      ARG  55  10.177 -12.707 -14.495
  393    HG2  ARG  55           HG2      ARG  55  10.520 -10.875 -13.001
  394    HG3  ARG  55           HG1      ARG  55  11.357 -11.897 -11.831
  395    HD2  ARG  55           HD2      ARG  55  12.593 -10.353 -13.756
  396    HD3  ARG  55           HD1      ARG  55  13.332 -11.716 -12.918
  397    HE   ARG  55           HE       ARG  55  13.085 -12.996 -14.861
  398   HH11  ARG  55          HH21      ARG  55  11.379  -9.991 -15.060
  399   HH12  ARG  55          HH22      ARG  55  11.047 -10.132 -16.754
  400   HH21  ARG  55          HH11      ARG  55  12.651 -13.190 -17.082
  401   HH22  ARG  55          HH12      ARG  55  11.767 -11.944 -17.898
  402    H    LYS  56           HN       LYS  56   8.739 -15.698 -13.616
  403    HA   LYS  56           HA       LYS  56   6.951 -14.878 -15.637
  404    HB2  LYS  56           HB2      LYS  56   8.133 -17.140 -15.359
  405    HB3  LYS  56           HB1      LYS  56   6.828 -17.551 -14.247
  406    HG2  LYS  56           HG2      LYS  56   5.730 -18.232 -16.114
  407    HG3  LYS  56           HG1      LYS  56   5.437 -16.512 -16.372
  408    HD2  LYS  56           HD2      LYS  56   7.651 -16.439 -17.620
  409    HD3  LYS  56           HD1      LYS  56   7.653 -18.201 -17.552
  410    HE2  LYS  56           HE2      LYS  56   5.407 -16.540 -18.731
  411    HE3  LYS  56           HE1      LYS  56   6.681 -17.309 -19.679
  412    HZ1  LYS  56           HZ1      LYS  56   4.319 -18.451 -18.863
  413    HZ2  LYS  56           HZ2      LYS  56   5.500 -19.144 -17.859
  414    HZ3  LYS  56           HZ3      LYS  56   5.649 -19.250 -19.547
  415    H    LYS  57           HN       LYS  57   6.268 -16.353 -12.455
  416    HA   LYS  57           HA       LYS  57   3.450 -15.682 -12.682
  417    HB2  LYS  57           HB2      LYS  57   5.113 -17.069 -10.581
  418    HB3  LYS  57           HB1      LYS  57   3.417 -16.663 -10.317
  419    HG2  LYS  57           HG2      LYS  57   2.669 -18.240 -11.794
  420    HG3  LYS  57           HG1      LYS  57   4.036 -18.014 -12.886
  421    HD2  LYS  57           HD2      LYS  57   4.100 -20.241 -11.802
  422    HD3  LYS  57           HD1      LYS  57   5.493 -19.259 -11.347
  423    HE2  LYS  57           HE2      LYS  57   3.117 -18.970  -9.604
  424    HE3  LYS  57           HE1      LYS  57   3.912 -20.543  -9.545
  425    HZ1  LYS  57           HZ1      LYS  57   5.040 -17.886  -8.932
  426    HZ2  LYS  57           HZ2      LYS  57   6.048 -19.195  -9.326
  427    HZ3  LYS  57           HZ3      LYS  57   5.030 -19.282  -7.968
  428    H    GLY  58           HN       GLY  58   6.290 -14.200 -11.529
  429    HA2  GLY  58           HA2      GLY  58   5.050 -12.602  -9.464
  430    HA3  GLY  58           HA1      GLY  58   6.685 -12.418 -10.092
  431    H    HIS  59           HN       HIS  59   5.725 -12.309 -12.884
  432    HA   HIS  59           HA       HIS  59   5.583  -9.558 -13.255
  433    HB2  HIS  59           HB2      HIS  59   5.843 -10.250 -15.368
  434    HB3  HIS  59           HB1      HIS  59   5.433 -11.899 -14.894
  435    HD2  HIS  59           HD2      HIS  59   2.882 -12.730 -15.674
  436    HE1  HIS  59           HE1      HIS  59   1.519  -9.001 -17.109
  437    HE2  HIS  59           HE2      HIS  59   0.963 -11.471 -16.918
  438    H    HIS  60           HN       HIS  60   3.160 -11.718 -12.185
  439    HA   HIS  60           HA       HIS  60   1.106  -9.610 -12.512
  440    HB2  HIS  60           HB2      HIS  60   0.673 -11.556 -13.991
  441    HB3  HIS  60           HB1      HIS  60   0.651 -12.602 -12.572
  442    HD2  HIS  60           HD2      HIS  60  -1.052  -9.451 -11.470
  443    HE1  HIS  60           HE1      HIS  60  -4.157 -11.816 -13.080
  444    HE2  HIS  60           HE2      HIS  60  -3.636  -9.761 -11.681
  445    H    HIS  61           HN       HIS  61   2.626  -9.487 -10.303
  446    HA   HIS  61           HA       HIS  61   1.159 -10.901  -8.174
  447    HB2  HIS  61           HB2      HIS  61   3.784 -10.785  -8.419
  448    HB3  HIS  61           HB1      HIS  61   3.571  -9.212  -7.650
  449    HD2  HIS  61           HD2      HIS  61   2.480 -12.958  -6.804
  450    HE1  HIS  61           HE1      HIS  61   3.013 -10.810  -3.209
  451    HE2  HIS  61           HE2      HIS  61   2.462 -13.084  -4.196
  452    H    HIS  62           HN       HIS  62   1.963  -8.963  -6.167
  453    HA   HIS  62           HA       HIS  62  -0.111  -6.946  -6.698
  454    HB2  HIS  62           HB2      HIS  62  -0.248  -8.372  -4.636
  455    HB3  HIS  62           HB1      HIS  62   1.240  -7.610  -4.074
  456    HD2  HIS  62           HD2      HIS  62  -1.338  -6.893  -2.263
  457    HE1  HIS  62           HE1      HIS  62  -1.535  -3.268  -4.420
  458    HE2  HIS  62           HE2      HIS  62  -2.305  -4.467  -2.317
  459    H    HIS  63           HN       HIS  63   2.893  -6.925  -4.776
  460    HA   HIS  63           HA       HIS  63   3.406  -4.192  -5.744
  461    HB2  HIS  63           HB2      HIS  63   3.338  -4.865  -3.234
  462    HB3  HIS  63           HB1      HIS  63   4.935  -5.549  -3.540
  463    HD2  HIS  63           HD2      HIS  63   3.705  -2.310  -2.274
  464    HE1  HIS  63           HE1      HIS  63   7.007  -1.218  -4.668
  465    HE2  HIS  63           HE2      HIS  63   5.391  -0.410  -2.883
  466    H    HIS  64           HN       HIS  64   3.897  -6.233  -7.581
  467    HA   HIS  64           HA       HIS  64   5.535  -7.192  -8.894
  468    HB2  HIS  64           HB2      HIS  64   7.456  -5.035  -8.270
  469    HB3  HIS  64           HB1      HIS  64   6.835  -5.579  -9.829
  470    HD2  HIS  64           HD2      HIS  64   6.701  -2.346  -8.384
  471    HE1  HIS  64           HE1      HIS  64   2.605  -2.974  -9.191
  472    HE2  HIS  64           HE2      HIS  64   4.358  -1.221  -8.643
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  33.046   6.571  21.970
    2    H2   MET   1           HT2      MET   1  32.942   8.165  22.550
    3    H3   MET   1           HT3      MET   1  31.777   7.576  21.463
    4    HA   MET   1           HA       MET   1  31.128   7.711  23.905
    5    HB2  MET   1           HB2      MET   1  30.846   5.303  22.113
    6    HB3  MET   1           HB1      MET   1  30.070   5.346  23.696
    7    HG2  MET   1           HG2      MET   1  28.905   7.420  23.092
    8    HG3  MET   1           HG1      MET   1  29.708   7.428  21.521
    9    HE1  MET   1           HE1      MET   1  26.999   7.073  19.954
   10    HE2  MET   1           HE2      MET   1  27.238   7.976  21.449
   11    HE3  MET   1           HE3      MET   1  25.919   6.814  21.330
   12    H    GLU   2           HN       GLU   2  33.612   7.702  24.646
   13    HA   GLU   2           HA       GLU   2  35.160   6.843  26.110
   14    HB2  GLU   2           HB2      GLU   2  32.580   6.022  27.024
   15    HB3  GLU   2           HB1      GLU   2  33.718   4.705  27.310
   16    HG2  GLU   2           HG2      GLU   2  35.264   6.289  28.416
   17    HG3  GLU   2           HG1      GLU   2  34.104   7.591  28.156
   18    H    GLU   3           HN       GLU   3  35.915   4.468  26.986
   19    HA   GLU   3           HA       GLU   3  37.159   2.642  26.334
   20    HB2  GLU   3           HB2      GLU   3  34.644   2.189  24.711
   21    HB3  GLU   3           HB1      GLU   3  35.894   0.976  24.989
   22    HG2  GLU   3           HG2      GLU   3  35.552   1.312  27.467
   23    HG3  GLU   3           HG1      GLU   3  34.163   2.324  27.075
   24    H    GLY   4           HN       GLY   4  37.389   1.253  23.974
   25    HA2  GLY   4           HA2      GLY   4  37.573   2.513  21.561
   26    HA3  GLY   4           HA1      GLY   4  39.015   3.054  22.416
   27    H    GLY   5           HN       GLY   5  38.225   1.019  20.132
   28    HA2  GLY   5           HA2      GLY   5  39.712  -1.312  21.149
   29    HA3  GLY   5           HA1      GLY   5  38.706  -1.287  19.702
   30    H    ASP   6           HN       ASP   6  40.858  -2.379  19.014
   31    HA   ASP   6           HA       ASP   6  42.219  -0.567  17.288
   32    HB2  ASP   6           HB2      ASP   6  43.283  -0.143  19.591
   33    HB3  ASP   6           HB1      ASP   6  43.995  -1.746  19.416
   34    H    PHE   7           HN       PHE   7  40.897  -2.728  16.553
   35    HA   PHE   7           HA       PHE   7  42.030  -5.238  16.590
   36    HB2  PHE   7           HB2      PHE   7  40.597  -3.807  14.345
   37    HB3  PHE   7           HB1      PHE   7  41.009  -5.522  14.296
   38    HD1  PHE   7           HD2      PHE   7  39.119  -2.946  16.210
   39    HD2  PHE   7           HD1      PHE   7  39.730  -7.136  15.488
   40    HE1  PHE   7           HE2      PHE   7  37.103  -3.471  17.553
   41    HE2  PHE   7           HE1      PHE   7  37.713  -7.661  16.832
   42    HZ   PHE   7           HZ       PHE   7  36.400  -5.829  17.866
   43    H    ASP   8           HN       ASP   8  43.825  -6.153  15.800
   44    HA   ASP   8           HA       ASP   8  45.604  -4.490  14.146
   45    HB2  ASP   8           HB2      ASP   8  46.526  -7.083  15.269
   46    HB3  ASP   8           HB1      ASP   8  47.379  -5.547  15.130
   47    H    ASN   9           HN       ASN   9  43.284  -5.883  13.040
   48    HA   ASN   9           HA       ASN   9  43.709  -8.288  11.810
   49    HB2  ASN   9           HB2      ASN   9  42.070  -5.962  11.312
   50    HB3  ASN   9           HB1      ASN   9  42.611  -6.672   9.793
   51   HD21  ASN   9          HD21      ASN   9  41.253  -7.742  12.966
   52   HD22  ASN   9          HD22      ASN   9  40.298  -8.977  12.297
   53    H    TYR  10           HN       TYR  10  44.493  -5.165  10.254
   54    HA   TYR  10           HA       TYR  10  46.112  -6.407   8.259
   55    HB2  TYR  10           HB2      TYR  10  46.388  -3.506   8.904
   56    HB3  TYR  10           HB1      TYR  10  46.313  -4.304   7.334
   57    HD1  TYR  10           HD1      TYR  10  44.333  -3.093  10.209
   58    HD2  TYR  10           HD2      TYR  10  44.194  -4.855   6.293
   59    HE1  TYR  10           HE1      TYR  10  41.898  -2.636  10.088
   60    HE2  TYR  10           HE2      TYR  10  41.759  -4.398   6.173
   61    HH   TYR  10           HH       TYR  10  40.102  -2.589   8.736
   62    H    TYR  11           HN       TYR  11  46.932  -7.135  10.883
   63    HA   TYR  11           HA       TYR  11  49.747  -6.579  10.669
   64    HB2  TYR  11           HB2      TYR  11  48.122  -5.377  12.907
   65    HB3  TYR  11           HB1      TYR  11  49.839  -5.732  13.095
   66    HD1  TYR  11           HD1      TYR  11  51.457  -4.779  11.322
   67    HD2  TYR  11           HD2      TYR  11  47.425  -3.393  11.846
   68    HE1  TYR  11           HE1      TYR  11  52.025  -2.678  10.133
   69    HE2  TYR  11           HE2      TYR  11  47.992  -1.292  10.657
   70    HH   TYR  11           HH       TYR  11  50.277  -0.841   8.713
   71    H    GLY  12           HN       GLY  12  48.166  -8.907  10.545
   72    HA2  GLY  12           HA2      GLY  12  49.511 -10.824  11.840
   73    HA3  GLY  12           HA1      GLY  12  48.405 -10.282  13.100
   74    H    ALA  13           HN       ALA  13  47.500 -10.185   9.741
   75    HA   ALA  13           HA       ALA  13  45.555 -12.360  10.233
   76    HB1  ALA  13           HB1      ALA  13  45.439  -9.897   8.498
   77    HB2  ALA  13           HB2      ALA  13  44.346 -10.373   9.797
   78    HB3  ALA  13           HB3      ALA  13  44.336 -11.254   8.270
   79    H    ASP  14           HN       ASP  14  47.937 -11.059   7.991
   80    HA   ASP  14           HA       ASP  14  47.581 -13.371   6.212
   81    HB2  ASP  14           HB2      ASP  14  49.062 -10.757   5.938
   82    HB3  ASP  14           HB1      ASP  14  49.278 -12.085   4.799
   83    H    ASN  15           HN       ASN  15  49.692 -12.080   8.627
   84    HA   ASN  15           HA       ASN  15  52.145 -13.201   8.042
   85    HB2  ASN  15           HB2      ASN  15  50.755 -12.308  10.449
   86    HB3  ASN  15           HB1      ASN  15  51.889 -13.619  10.769
   87   HD21  ASN  15          HD21      ASN  15  52.086 -10.951   8.356
   88   HD22  ASN  15          HD22      ASN  15  53.559 -10.341   8.938
   89    H    GLN  16           HN       GLN  16  49.209 -14.814   8.559
   90    HA   GLN  16           HA       GLN  16  50.534 -17.332   9.310
   91    HB2  GLN  16           HB2      GLN  16  48.385 -18.150   9.911
   92    HB3  GLN  16           HB1      GLN  16  48.450 -16.495  10.518
   93    HG2  GLN  16           HG2      GLN  16  46.431 -16.359   9.436
   94    HG3  GLN  16           HG1      GLN  16  47.475 -16.000   8.062
   95   HE21  GLN  16          HE21      GLN  16  46.429 -17.055   6.337
   96   HE22  GLN  16          HE22      GLN  16  46.013 -18.701   6.343
   97    H    SER  17           HN       SER  17  49.000 -15.700   6.667
   98    HA   SER  17           HA       SER  17  48.564 -18.113   5.116
   99    HB2  SER  17           HB2      SER  17  47.013 -16.631   4.368
  100    HB3  SER  17           HB1      SER  17  47.977 -15.232   4.835
  101    HG   SER  17           HG       SER  17  47.793 -16.519   2.441
  102    H    GLU  18           HN       GLU  18  51.051 -15.733   5.555
  103    HA   GLU  18           HA       GLU  18  52.446 -15.925   3.143
  104    HB2  GLU  18           HB2      GLU  18  54.247 -14.935   4.258
  105    HB3  GLU  18           HB1      GLU  18  52.865 -14.417   5.224
  106    HG2  GLU  18           HG2      GLU  18  53.309 -16.580   6.601
  107    HG3  GLU  18           HG1      GLU  18  54.899 -16.550   5.841
  108    H    CYS  19           HN       CYS  19  51.713 -18.387   5.254
  109    HA   CYS  19           HA       CYS  19  54.144 -19.933   4.640
  110    HB2  CYS  19           HB2      CYS  19  52.010 -20.122   6.729
  111    HB3  CYS  19           HB1      CYS  19  52.875 -21.586   6.259
  112    HG   CYS  19           HG       CYS  19  53.992 -19.526   8.078
  113    H    GLU  20           HN       GLU  20  50.604 -20.068   4.395
  114    HA   GLU  20           HA       GLU  20  50.710 -22.515   2.826
  115    HB2  GLU  20           HB2      GLU  20  48.320 -22.461   2.889
  116    HB3  GLU  20           HB1      GLU  20  48.878 -21.983   4.492
  117    HG2  GLU  20           HG2      GLU  20  47.440 -20.237   4.174
  118    HG3  GLU  20           HG1      GLU  20  48.799 -19.559   3.279
  119    H    TYR  21           HN       TYR  21  50.801 -19.141   2.280
  120    HA   TYR  21           HA       TYR  21  49.521 -18.868  -0.187
  121    HB2  TYR  21           HB2      TYR  21  50.168 -16.789   0.405
  122    HB3  TYR  21           HB1      TYR  21  51.533 -17.388   1.348
  123    HD1  TYR  21           HD2      TYR  21  50.386 -16.814  -2.164
  124    HD2  TYR  21           HD1      TYR  21  53.728 -17.257   0.498
  125    HE1  TYR  21           HE2      TYR  21  51.931 -16.185  -3.999
  126    HE2  TYR  21           HE1      TYR  21  55.273 -16.628  -1.337
  127    HH   TYR  21           HH       TYR  21  54.522 -16.704  -4.476
  128    H    THR  22           HN       THR  22  52.889 -19.766   0.528
  129    HA   THR  22           HA       THR  22  53.758 -20.000  -2.142
  130    HB   THR  22           HB       THR  22  55.383 -21.739  -0.961
  131    HG1  THR  22           HG1      THR  22  54.076 -20.353   1.134
  132   HG21  THR  22          HG21      THR  22  56.724 -19.802  -0.183
  133   HG22  THR  22          HG22      THR  22  55.308 -18.767  -0.366
  134   HG23  THR  22          HG23      THR  22  56.036 -19.525  -1.784
  135    H    ASP  23           HN       ASP  23  51.566 -21.881  -0.371
  136    HA   ASP  23           HA       ASP  23  52.005 -24.258  -2.055
  137    HB2  ASP  23           HB2      ASP  23  51.461 -24.037   0.636
  138    HB3  ASP  23           HB1      ASP  23  49.875 -24.392  -0.047
  139    H    TRP  24           HN       TRP  24  49.432 -22.030  -1.014
  140    HA   TRP  24           HA       TRP  24  47.273 -22.976  -2.401
  141    HB2  TRP  24           HB2      TRP  24  46.645 -21.106  -1.267
  142    HB3  TRP  24           HB1      TRP  24  48.180 -20.288  -1.561
  143    HD1  TRP  24           HD1      TRP  24  44.815 -21.036  -3.235
  144    HE1  TRP  24           HE1      TRP  24  44.455 -19.345  -5.149
  145    HE3  TRP  24           HE3      TRP  24  49.346 -18.681  -3.196
  146    HZ2  TRP  24           HZ2      TRP  24  45.898 -17.268  -6.485
  147    HZ3  TRP  24           HZ3      TRP  24  49.826 -16.852  -4.799
  148    HH2  TRP  24           HH2      TRP  24  48.109 -16.143  -6.441
  149    H    LYS  25           HN       LYS  25  49.719 -20.723  -3.698
  150    HA   LYS  25           HA       LYS  25  48.790 -20.389  -6.258
  151    HB2  LYS  25           HB2      LYS  25  50.846 -19.336  -5.280
  152    HB3  LYS  25           HB1      LYS  25  51.696 -20.857  -5.559
  153    HG2  LYS  25           HG2      LYS  25  51.242 -20.709  -7.959
  154    HG3  LYS  25           HG1      LYS  25  50.304 -19.235  -7.712
  155    HD2  LYS  25           HD2      LYS  25  52.233 -17.999  -7.042
  156    HD3  LYS  25           HD1      LYS  25  53.200 -19.465  -6.872
  157    HE2  LYS  25           HE2      LYS  25  52.015 -19.100  -9.547
  158    HE3  LYS  25           HE1      LYS  25  53.196 -17.868  -9.101
  159    HZ1  LYS  25           HZ1      LYS  25  53.688 -20.779  -8.825
  160    HZ2  LYS  25           HZ2      LYS  25  54.819 -19.520  -8.676
  161    HZ3  LYS  25           HZ3      LYS  25  54.140 -19.883 -10.192
  162    H    SER  26           HN       SER  26  50.061 -23.268  -4.819
  163    HA   SER  26           HA       SER  26  50.251 -24.592  -7.442
  164    HB2  SER  26           HB2      SER  26  51.022 -25.766  -4.773
  165    HB3  SER  26           HB1      SER  26  51.528 -26.287  -6.378
  166    HG   SER  26           HG       SER  26  52.768 -24.473  -6.566
  167    H    SER  27           HN       SER  27  48.727 -24.929  -4.250
  168    HA   SER  27           HA       SER  27  47.120 -27.180  -5.082
  169    HB2  SER  27           HB2      SER  27  47.332 -25.516  -2.596
  170    HB3  SER  27           HB1      SER  27  45.943 -26.575  -2.827
  171    HG   SER  27           HG       SER  27  48.648 -27.185  -2.485
  172    H    GLY  28           HN       GLY  28  46.980 -24.227  -6.192
  173    HA2  GLY  28           HA2      GLY  28  44.141 -23.670  -5.771
  174    HA3  GLY  28           HA1      GLY  28  45.284 -22.661  -6.652
  175    H    ALA  29           HN       ALA  29  45.640 -25.866  -7.559
  176    HA   ALA  29           HA       ALA  29  44.063 -25.401 -10.012
  177    HB1  ALA  29           HB1      ALA  29  45.550 -26.965 -11.104
  178    HB2  ALA  29           HB2      ALA  29  46.312 -27.375  -9.567
  179    HB3  ALA  29           HB3      ALA  29  46.525 -25.765 -10.255
  180    H    LEU  30           HN       LEU  30  43.201 -26.531  -7.307
  181    HA   LEU  30           HA       LEU  30  41.877 -28.916  -8.417
  182    HB2  LEU  30           HB2      LEU  30  42.179 -30.076  -6.241
  183    HB3  LEU  30           HB1      LEU  30  43.708 -29.770  -7.064
  184    HG   LEU  30           HG       LEU  30  43.225 -27.468  -5.525
  185   HD11  LEU  30          HD11      LEU  30  42.942 -28.404  -3.251
  186   HD12  LEU  30          HD12      LEU  30  42.709 -30.008  -3.947
  187   HD13  LEU  30          HD13      LEU  30  41.532 -28.732  -4.258
  188   HD21  LEU  30          HD21      LEU  30  45.203 -28.275  -4.267
  189   HD22  LEU  30          HD22      LEU  30  45.412 -28.501  -6.004
  190   HD23  LEU  30          HD23      LEU  30  44.994 -29.875  -4.979
  191    H    ILE  31           HN       ILE  31  41.906 -26.261  -6.113
  192    HA   ILE  31           HA       ILE  31  39.368 -26.838  -4.950
  193    HB   ILE  31           HB       ILE  31  40.401 -24.051  -5.040
  194   HG12  ILE  31          HG12      ILE  31  41.858 -26.432  -3.924
  195   HG13  ILE  31          HG11      ILE  31  42.507 -25.035  -4.782
  196   HG21  ILE  31          HG21      ILE  31  39.541 -23.971  -2.853
  197   HG22  ILE  31          HG22      ILE  31  39.662 -25.718  -2.645
  198   HG23  ILE  31          HG23      ILE  31  38.409 -25.039  -3.682
  199   HD11  ILE  31          HD11      ILE  31  41.645 -23.669  -2.741
  200   HD12  ILE  31          HD12      ILE  31  43.124 -24.611  -2.556
  201   HD13  ILE  31          HD13      ILE  31  41.600 -25.228  -1.918
  202    HA   PRO  32           HA       PRO  32  37.984 -23.422  -8.191
  203    HB2  PRO  32           HB2      PRO  32  39.547 -24.367 -10.526
  204    HB3  PRO  32           HB1      PRO  32  39.223 -22.711  -9.980
  205    HG2  PRO  32           HG2      PRO  32  41.630 -23.842  -9.720
  206    HG3  PRO  32           HG1      PRO  32  40.989 -22.700  -8.525
  207    HD2  PRO  32           HD2      PRO  32  41.203 -25.683  -8.357
  208    HD3  PRO  32           HD1      PRO  32  41.408 -24.463  -7.081
  209    H    ALA  33           HN       ALA  33  38.877 -26.733  -8.966
  210    HA   ALA  33           HA       ALA  33  36.938 -27.300 -10.916
  211    HB1  ALA  33           HB1      ALA  33  38.126 -29.146  -8.830
  212    HB2  ALA  33           HB2      ALA  33  38.811 -28.808 -10.420
  213    HB3  ALA  33           HB3      ALA  33  37.271 -29.657 -10.287
  214    H    ILE  34           HN       ILE  34  36.815 -28.288  -7.485
  215    HA   ILE  34           HA       ILE  34  34.131 -29.024  -7.446
  216    HB   ILE  34           HB       ILE  34  36.074 -28.124  -5.352
  217   HG12  ILE  34          HG12      ILE  34  35.742 -30.499  -6.483
  218   HG13  ILE  34          HG11      ILE  34  36.083 -30.369  -4.758
  219   HG21  ILE  34          HG21      ILE  34  34.183 -28.751  -3.692
  220   HG22  ILE  34          HG22      ILE  34  33.089 -28.427  -5.037
  221   HG23  ILE  34          HG23      ILE  34  34.137 -27.148  -4.423
  222   HD11  ILE  34          HD11      ILE  34  34.118 -31.893  -5.486
  223   HD12  ILE  34          HD12      ILE  34  33.243 -30.391  -5.779
  224   HD13  ILE  34          HD13      ILE  34  33.833 -30.767  -4.161
  225    H    TYR  35           HN       TYR  35  35.623 -25.864  -6.915
  226    HA   TYR  35           HA       TYR  35  33.345 -24.468  -6.049
  227    HB2  TYR  35           HB2      TYR  35  36.016 -23.824  -6.977
  228    HB3  TYR  35           HB1      TYR  35  34.833 -22.660  -7.574
  229    HD1  TYR  35           HD2      TYR  35  33.513 -21.291  -6.034
  230    HD2  TYR  35           HD1      TYR  35  36.409 -24.113  -4.583
  231    HE1  TYR  35           HE2      TYR  35  33.407 -20.245  -3.788
  232    HE2  TYR  35           HE1      TYR  35  36.302 -23.066  -2.337
  233    HH   TYR  35           HH       TYR  35  35.646 -21.114  -1.249
  234    H    MET  36           HN       MET  36  34.773 -24.433  -9.323
  235    HA   MET  36           HA       MET  36  32.593 -23.180 -10.575
  236    HB2  MET  36           HB2      MET  36  34.954 -24.751 -11.482
  237    HB3  MET  36           HB1      MET  36  33.633 -24.533 -12.631
  238    HG2  MET  36           HG2      MET  36  34.865 -22.238 -11.090
  239    HG3  MET  36           HG1      MET  36  35.421 -22.728 -12.692
  240    HE1  MET  36           HE1      MET  36  32.359 -19.756 -11.793
  241    HE2  MET  36           HE2      MET  36  34.097 -19.903 -11.538
  242    HE3  MET  36           HE3      MET  36  32.986 -20.865 -10.565
  243    H    LEU  37           HN       LEU  37  33.480 -26.640 -10.529
  244    HA   LEU  37           HA       LEU  37  31.373 -27.699 -11.941
  245    HB2  LEU  37           HB2      LEU  37  33.350 -28.925 -10.892
  246    HB3  LEU  37           HB1      LEU  37  32.405 -28.964  -9.404
  247    HG   LEU  37           HG       LEU  37  30.544 -29.833 -11.185
  248   HD11  LEU  37          HD11      LEU  37  31.489 -31.225 -12.844
  249   HD12  LEU  37          HD12      LEU  37  33.083 -31.191 -12.088
  250   HD13  LEU  37          HD13      LEU  37  32.471 -29.761 -12.919
  251   HD21  LEU  37          HD21      LEU  37  30.914 -31.028  -9.173
  252   HD22  LEU  37          HD22      LEU  37  32.610 -31.319  -9.558
  253   HD23  LEU  37          HD23      LEU  37  31.345 -32.179 -10.437
  254    H    VAL  38           HN       VAL  38  31.372 -26.394  -8.698
  255    HA   VAL  38           HA       VAL  38  28.640 -27.326  -8.208
  256    HB   VAL  38           HB       VAL  38  30.663 -25.861  -6.510
  257   HG11  VAL  38          HG11      VAL  38  28.779 -26.375  -4.730
  258   HG12  VAL  38          HG12      VAL  38  27.719 -26.307  -6.138
  259   HG13  VAL  38          HG13      VAL  38  28.698 -24.906  -5.704
  260   HG21  VAL  38          HG21      VAL  38  30.738 -27.886  -5.257
  261   HG22  VAL  38          HG22      VAL  38  30.768 -28.396  -6.945
  262   HG23  VAL  38          HG23      VAL  38  29.272 -28.501  -6.019
  263    H    PHE  39           HN       PHE  39  30.360 -24.511  -9.243
  264    HA   PHE  39           HA       PHE  39  28.293 -22.614  -8.593
  265    HB2  PHE  39           HB2      PHE  39  30.908 -22.323  -9.138
  266    HB3  PHE  39           HB1      PHE  39  30.250 -22.012 -10.745
  267    HD1  PHE  39           HD1      PHE  39  29.805 -21.061  -7.151
  268    HD2  PHE  39           HD2      PHE  39  29.352 -19.904 -11.262
  269    HE1  PHE  39           HE1      PHE  39  29.135 -18.782  -6.436
  270    HE2  PHE  39           HE2      PHE  39  28.683 -17.626 -10.547
  271    HZ   PHE  39           HZ       PHE  39  28.574 -17.065  -8.134
  272    H    LEU  40           HN       LEU  40  29.535 -23.860 -11.706
  273    HA   LEU  40           HA       LEU  40  27.405 -22.818 -13.251
  274    HB2  LEU  40           HB2      LEU  40  28.228 -24.334 -15.017
  275    HB3  LEU  40           HB1      LEU  40  29.548 -23.450 -14.253
  276    HG   LEU  40           HG       LEU  40  29.338 -25.699 -12.664
  277   HD11  LEU  40          HD11      LEU  40  29.275 -27.605 -14.226
  278   HD12  LEU  40          HD12      LEU  40  28.943 -26.504 -15.562
  279   HD13  LEU  40          HD13      LEU  40  27.755 -26.711 -14.275
  280   HD21  LEU  40          HD21      LEU  40  31.397 -26.430 -13.917
  281   HD22  LEU  40          HD22      LEU  40  31.434 -24.738 -13.423
  282   HD23  LEU  40          HD23      LEU  40  31.069 -25.160 -15.096
  283    H    LEU  41           HN       LEU  41  27.244 -25.080 -10.899
  284    HA   LEU  41           HA       LEU  41  25.297 -26.808 -12.259
  285    HB2  LEU  41           HB2      LEU  41  27.131 -27.117 -10.034
  286    HB3  LEU  41           HB1      LEU  41  25.494 -27.589  -9.581
  287    HG   LEU  41           HG       LEU  41  26.866 -28.547 -12.105
  288   HD11  LEU  41          HD11      LEU  41  26.558 -30.679 -10.300
  289   HD12  LEU  41          HD12      LEU  41  27.231 -29.359  -9.344
  290   HD13  LEU  41          HD13      LEU  41  28.073 -29.921 -10.788
  291   HD21  LEU  41          HD21      LEU  41  24.879 -29.507 -12.577
  292   HD22  LEU  41          HD22      LEU  41  24.183 -28.598 -11.236
  293   HD23  LEU  41          HD23      LEU  41  24.796 -30.230 -10.971
  294    H    GLY  42           HN       GLY  42  25.516 -25.056  -9.150
  295    HA2  GLY  42           HA2      GLY  42  22.585 -24.868  -9.090
  296    HA3  GLY  42           HA1      GLY  42  23.671 -24.561  -7.738
  297    H    THR  43           HN       THR  43  24.846 -23.162 -10.558
  298    HA   THR  43           HA       THR  43  23.519 -20.580 -10.008
  299    HB   THR  43           HB       THR  43  26.363 -20.469 -10.806
  300    HG1  THR  43           HG1      THR  43  27.088 -20.983  -8.778
  301   HG21  THR  43          HG21      THR  43  24.717 -18.563 -10.201
  302   HG22  THR  43          HG22      THR  43  26.334 -18.508  -9.499
  303   HG23  THR  43          HG23      THR  43  24.971 -19.068  -8.531
  304    H    THR  44           HN       THR  44  23.035 -22.566 -12.080
  305    HA   THR  44           HA       THR  44  23.577 -20.856 -14.419
  306    HB   THR  44           HB       THR  44  24.055 -23.830 -14.205
  307    HG1  THR  44           HG1      THR  44  25.617 -21.650 -15.124
  308   HG21  THR  44          HG21      THR  44  23.456 -22.096 -16.578
  309   HG22  THR  44          HG22      THR  44  22.939 -23.749 -16.246
  310   HG23  THR  44          HG23      THR  44  24.599 -23.429 -16.750
  311    H    GLY  45           HN       GLY  45  21.809 -23.735 -13.276
  312    HA2  GLY  45           HA2      GLY  45  19.552 -22.991 -15.021
  313    HA3  GLY  45           HA1      GLY  45  19.808 -24.575 -14.294
  314    H    ASN  46           HN       ASN  46  20.597 -22.628 -11.866
  315    HA   ASN  46           HA       ASN  46  18.016 -22.926 -10.571
  316    HB2  ASN  46           HB2      ASN  46  19.283 -23.073  -8.734
  317    HB3  ASN  46           HB1      ASN  46  20.716 -22.817  -9.726
  318   HD21  ASN  46          HD21      ASN  46  21.452 -20.533 -10.005
  319   HD22  ASN  46          HD22      ASN  46  21.027 -19.368  -8.845
  320    H    GLY  47           HN       GLY  47  20.237 -20.227 -11.290
  321    HA2  GLY  47           HA2      GLY  47  18.491 -18.178 -10.405
  322    HA3  GLY  47           HA1      GLY  47  19.869 -17.962 -11.481
  323    H    LEU  48           HN       LEU  48  19.277 -19.300 -13.706
  324    HA   LEU  48           HA       LEU  48  17.592 -17.671 -15.158
  325    HB2  LEU  48           HB2      LEU  48  19.219 -19.314 -16.114
  326    HB3  LEU  48           HB1      LEU  48  18.092 -20.605 -15.710
  327    HG   LEU  48           HG       LEU  48  16.358 -19.499 -17.125
  328   HD11  LEU  48          HD11      LEU  48  18.558 -17.494 -17.393
  329   HD12  LEU  48          HD12      LEU  48  16.814 -17.247 -17.330
  330   HD13  LEU  48          HD13      LEU  48  17.571 -17.816 -18.817
  331   HD21  LEU  48          HD21      LEU  48  17.358 -21.165 -18.364
  332   HD22  LEU  48          HD22      LEU  48  18.974 -20.486 -18.167
  333   HD23  LEU  48          HD23      LEU  48  17.855 -19.776 -19.331
  334    H    VAL  49           HN       VAL  49  16.802 -20.864 -13.775
  335    HA   VAL  49           HA       VAL  49  14.106 -20.915 -14.566
  336    HB   VAL  49           HB       VAL  49  15.633 -22.252 -12.345
  337   HG11  VAL  49          HG11      VAL  49  13.542 -22.165 -11.310
  338   HG12  VAL  49          HG12      VAL  49  13.412 -23.658 -12.239
  339   HG13  VAL  49          HG13      VAL  49  12.672 -22.175 -12.844
  340   HG21  VAL  49          HG21      VAL  49  15.662 -22.822 -14.923
  341   HG22  VAL  49          HG22      VAL  49  14.107 -23.576 -14.568
  342   HG23  VAL  49          HG23      VAL  49  15.564 -24.124 -13.737
  343    H    LEU  50           HN       LEU  50  15.172 -20.505 -11.193
  344    HA   LEU  50           HA       LEU  50  12.871 -19.492 -10.120
  345    HB2  LEU  50           HB2      LEU  50  15.699 -18.613  -9.481
  346    HB3  LEU  50           HB1      LEU  50  14.297 -18.352  -8.444
  347    HG   LEU  50           HG       LEU  50  15.298 -21.070  -9.355
  348   HD11  LEU  50          HD11      LEU  50  15.773 -21.201  -6.793
  349   HD12  LEU  50          HD12      LEU  50  15.744 -19.439  -6.864
  350   HD13  LEU  50          HD13      LEU  50  16.918 -20.342  -7.822
  351   HD21  LEU  50          HD21      LEU  50  13.746 -21.608  -7.249
  352   HD22  LEU  50          HD22      LEU  50  13.067 -21.467  -8.870
  353   HD23  LEU  50          HD23      LEU  50  12.957 -20.111  -7.748
  354    H    TRP  51           HN       TRP  51  15.080 -17.892 -12.272
  355    HA   TRP  51           HA       TRP  51  14.057 -15.236 -11.758
  356    HB2  TRP  51           HB2      TRP  51  16.348 -15.428 -12.485
  357    HB3  TRP  51           HB1      TRP  51  15.868 -16.348 -13.911
  358    HD1  TRP  51           HD1      TRP  51  15.959 -12.829 -12.492
  359    HE1  TRP  51           HE1      TRP  51  15.394 -11.150 -14.365
  360    HE3  TRP  51           HE3      TRP  51  14.541 -16.063 -16.181
  361    HZ2  TRP  51           HZ2      TRP  51  14.465 -11.173 -17.069
  362    HZ3  TRP  51           HZ3      TRP  51  13.821 -15.209 -18.393
  363    HH2  TRP  51           HH2      TRP  51  13.781 -12.771 -18.841
  364    H    THR  52           HN       THR  52  13.797 -17.614 -14.394
  365    HA   THR  52           HA       THR  52  12.022 -16.071 -15.986
  366    HB   THR  52           HB       THR  52  12.805 -18.967 -15.895
  367    HG1  THR  52           HG1      THR  52  12.904 -17.744 -18.263
  368   HG21  THR  52          HG21      THR  52  11.350 -19.099 -18.046
  369   HG22  THR  52          HG22      THR  52  10.490 -17.721 -17.360
  370   HG23  THR  52          HG23      THR  52  10.549 -19.250 -16.482
  371    H    VAL  53           HN       VAL  53  11.512 -18.598 -13.549
  372    HA   VAL  53           HA       VAL  53   8.732 -18.861 -13.837
  373    HB   VAL  53           HB       VAL  53  10.542 -19.258 -11.450
  374   HG11  VAL  53          HG11      VAL  53   7.575 -19.597 -11.788
  375   HG12  VAL  53          HG12      VAL  53   8.472 -18.970 -10.405
  376   HG13  VAL  53          HG13      VAL  53   8.464 -20.702 -10.739
  377   HG21  VAL  53          HG21      VAL  53  10.501 -21.547 -12.054
  378   HG22  VAL  53          HG22      VAL  53  10.671 -20.706 -13.595
  379   HG23  VAL  53          HG23      VAL  53   9.098 -21.333 -13.102
  380    H    PHE  54           HN       PHE  54  10.654 -16.734 -11.738
  381    HA   PHE  54           HA       PHE  54   8.528 -15.532 -10.356
  382    HB2  PHE  54           HB2      PHE  54  11.372 -15.024 -10.769
  383    HB3  PHE  54           HB1      PHE  54  10.437 -13.537 -10.610
  384    HD1  PHE  54           HD2      PHE  54  10.857 -16.908  -9.028
  385    HD2  PHE  54           HD1      PHE  54   9.817 -12.777  -8.481
  386    HE1  PHE  54           HE2      PHE  54  10.689 -17.275  -6.581
  387    HE2  PHE  54           HE1      PHE  54   9.650 -13.143  -6.034
  388    HZ   PHE  54           HZ       PHE  54  10.086 -15.392  -5.084
  389    H    ARG  55           HN       ARG  55   9.412 -15.311 -13.632
  390    HA   ARG  55           HA       ARG  55   7.893 -12.795 -13.970
  391    HB2  ARG  55           HB2      ARG  55  10.183 -14.024 -15.437
  392    HB3  ARG  55           HB1      ARG  55   9.032 -13.054 -16.355
  393    HG2  ARG  55           HG2      ARG  55   9.584 -11.100 -15.252
  394    HG3  ARG  55           HG1      ARG  55  10.040 -11.939 -13.769
  395    HD2  ARG  55           HD2      ARG  55  11.677 -12.410 -16.229
  396    HD3  ARG  55           HD1      ARG  55  11.887 -10.892 -15.359
  397    HE   ARG  55           HE       ARG  55  12.823 -13.452 -14.518
  398   HH11  ARG  55          HH21      ARG  55  11.431 -10.484 -13.412
  399   HH12  ARG  55          HH22      ARG  55  12.120 -10.591 -11.826
  400   HH21  ARG  55          HH11      ARG  55  13.727 -13.601 -12.440
  401   HH22  ARG  55          HH12      ARG  55  13.420 -12.357 -11.276
  402    H    LYS  56           HN       LYS  56   7.342 -15.978 -13.990
  403    HA   LYS  56           HA       LYS  56   5.470 -15.824 -16.277
  404    HB2  LYS  56           HB2      LYS  56   6.071 -17.889 -16.987
  405    HB3  LYS  56           HB1      LYS  56   7.549 -17.564 -16.085
  406    HG2  LYS  56           HG2      LYS  56   6.414 -18.622 -14.060
  407    HG3  LYS  56           HG1      LYS  56   5.128 -19.140 -15.151
  408    HD2  LYS  56           HD2      LYS  56   7.979 -19.787 -15.849
  409    HD3  LYS  56           HD1      LYS  56   7.136 -20.758 -14.645
  410    HE2  LYS  56           HE2      LYS  56   5.368 -21.282 -16.221
  411    HE3  LYS  56           HE1      LYS  56   6.061 -20.190 -17.419
  412    HZ1  LYS  56           HZ1      LYS  56   8.083 -21.579 -17.380
  413    HZ2  LYS  56           HZ2      LYS  56   6.711 -22.416 -17.930
  414    HZ3  LYS  56           HZ3      LYS  56   7.291 -22.672 -16.355
  415    H    LYS  57           HN       LYS  57   5.968 -16.600 -12.926
  416    HA   LYS  57           HA       LYS  57   3.179 -17.510 -12.661
  417    HB2  LYS  57           HB2      LYS  57   5.166 -18.798 -11.655
  418    HB3  LYS  57           HB1      LYS  57   5.251 -17.492 -10.472
  419    HG2  LYS  57           HG2      LYS  57   2.595 -18.009 -10.392
  420    HG3  LYS  57           HG1      LYS  57   3.201 -19.614 -10.803
  421    HD2  LYS  57           HD2      LYS  57   4.880 -19.306  -8.891
  422    HD3  LYS  57           HD1      LYS  57   3.901 -17.924  -8.397
  423    HE2  LYS  57           HE2      LYS  57   2.701 -19.452  -7.220
  424    HE3  LYS  57           HE1      LYS  57   1.986 -19.855  -8.780
  425    HZ1  LYS  57           HZ1      LYS  57   4.307 -21.248  -8.785
  426    HZ2  LYS  57           HZ2      LYS  57   2.781 -21.886  -8.399
  427    HZ3  LYS  57           HZ3      LYS  57   3.822 -21.361  -7.163
  428    H    GLY  58           HN       GLY  58   5.417 -14.983 -11.695
  429    HA2  GLY  58           HA2      GLY  58   3.535 -13.735  -9.875
  430    HA3  GLY  58           HA1      GLY  58   5.115 -13.112 -10.340
  431    H    HIS  59           HN       HIS  59   4.530 -13.415 -13.217
  432    HA   HIS  59           HA       HIS  59   3.635 -10.845 -13.811
  433    HB2  HIS  59           HB2      HIS  59   4.461 -13.150 -15.265
  434    HB3  HIS  59           HB1      HIS  59   2.959 -12.568 -15.984
  435    HD2  HIS  59           HD2      HIS  59   6.662 -11.359 -15.495
  436    HE1  HIS  59           HE1      HIS  59   4.653  -8.494 -17.857
  437    HE2  HIS  59           HE2      HIS  59   6.915  -9.204 -16.947
  438    H    HIS  60           HN       HIS  60   1.835 -13.859 -13.487
  439    HA   HIS  60           HA       HIS  60  -0.616 -13.082 -14.570
  440    HB2  HIS  60           HB2      HIS  60  -0.149 -15.387 -13.903
  441    HB3  HIS  60           HB1      HIS  60  -0.084 -14.901 -12.209
  442    HD2  HIS  60           HD2      HIS  60  -2.883 -14.452 -15.033
  443    HE1  HIS  60           HE1      HIS  60  -4.720 -15.484 -11.374
  444    HE2  HIS  60           HE2      HIS  60  -5.143 -14.936 -13.818
  445    H    HIS  61           HN       HIS  61  -1.208 -13.767 -11.322
  446    HA   HIS  61           HA       HIS  61  -1.402 -10.991 -10.457
  447    HB2  HIS  61           HB2      HIS  61  -3.806 -12.724 -11.011
  448    HB3  HIS  61           HB1      HIS  61  -3.867 -11.389  -9.859
  449    HD2  HIS  61           HD2      HIS  61  -2.480  -8.967 -11.359
  450    HE1  HIS  61           HE1      HIS  61  -4.716  -9.996 -14.789
  451    HE2  HIS  61           HE2      HIS  61  -3.346  -8.162 -13.687
  452    H    HIS  62           HN       HIS  62  -2.582 -14.273  -9.681
  453    HA   HIS  62           HA       HIS  62  -1.113 -14.257  -7.181
  454    HB2  HIS  62           HB2      HIS  62  -3.009 -13.106  -6.345
  455    HB3  HIS  62           HB1      HIS  62  -4.125 -14.115  -7.265
  456    HD2  HIS  62           HD2      HIS  62  -4.922 -16.445  -5.951
  457    HE1  HIS  62           HE1      HIS  62  -2.248 -16.175  -2.695
  458    HE2  HIS  62           HE2      HIS  62  -4.217 -17.463  -3.652
  459    H    HIS  63           HN       HIS  63  -3.618 -15.844  -9.138
  460    HA   HIS  63           HA       HIS  63  -2.707 -18.466  -8.173
  461    HB2  HIS  63           HB2      HIS  63  -5.210 -17.643  -8.432
  462    HB3  HIS  63           HB1      HIS  63  -4.965 -18.147 -10.105
  463    HD2  HIS  63           HD2      HIS  63  -4.603 -19.841  -6.514
  464    HE1  HIS  63           HE1      HIS  63  -5.382 -22.829  -9.393
  465    HE2  HIS  63           HE2      HIS  63  -5.047 -22.383  -6.915
  466    H    HIS  64           HN       HIS  64  -0.894 -17.085  -9.802
  467    HA   HIS  64           HA       HIS  64   0.383 -17.315 -11.699
  468    HB2  HIS  64           HB2      HIS  64   1.061 -19.448 -11.812
  469    HB3  HIS  64           HB1      HIS  64  -0.287 -19.889 -10.764
  470    HD2  HIS  64           HD2      HIS  64   0.843 -20.466 -14.383
  471    HE1  HIS  64           HE1      HIS  64  -3.237 -21.542 -14.236
  472    HE2  HIS  64           HE2      HIS  64  -1.127 -21.626 -15.646
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  56.438  -8.036  -5.967
    2    H2   MET   1           HT2      MET   1  57.954  -7.274  -6.049
    3    H3   MET   1           HT3      MET   1  56.623  -6.455  -5.382
    4    HA   MET   1           HA       MET   1  56.581  -7.807  -3.481
    5    HB2  MET   1           HB2      MET   1  58.248  -9.738  -3.347
    6    HB3  MET   1           HB1      MET   1  56.890  -9.974  -4.447
    7    HG2  MET   1           HG2      MET   1  58.227  -9.999  -6.278
    8    HG3  MET   1           HG1      MET   1  59.199  -8.649  -5.693
    9    HE1  MET   1           HE1      MET   1  61.617 -11.646  -6.526
   10    HE2  MET   1           HE2      MET   1  61.461  -9.898  -6.685
   11    HE3  MET   1           HE3      MET   1  60.197 -10.949  -7.319
   12    H    GLU   2           HN       GLU   2  59.108  -6.496  -5.402
   13    HA   GLU   2           HA       GLU   2  60.868  -6.084  -3.088
   14    HB2  GLU   2           HB2      GLU   2  61.764  -6.842  -5.333
   15    HB3  GLU   2           HB1      GLU   2  61.350  -5.241  -5.949
   16    HG2  GLU   2           HG2      GLU   2  63.399  -4.612  -5.224
   17    HG3  GLU   2           HG1      GLU   2  62.698  -4.659  -3.608
   18    H    GLU   3           HN       GLU   3  59.152  -4.661  -2.147
   19    HA   GLU   3           HA       GLU   3  59.851  -1.932  -2.493
   20    HB2  GLU   3           HB2      GLU   3  58.339  -2.407  -4.515
   21    HB3  GLU   3           HB1      GLU   3  57.023  -2.531  -3.346
   22    HG2  GLU   3           HG2      GLU   3  56.857  -0.281  -3.621
   23    HG3  GLU   3           HG1      GLU   3  58.246  -0.218  -2.538
   24    H    GLY   4           HN       GLY   4  59.968  -3.269  -0.242
   25    HA2  GLY   4           HA2      GLY   4  58.934  -2.019   1.792
   26    HA3  GLY   4           HA1      GLY   4  57.472  -2.843   1.257
   27    H    GLY   5           HN       GLY   5  58.925  -5.231   0.377
   28    HA2  GLY   5           HA2      GLY   5  60.142  -7.054   1.295
   29    HA3  GLY   5           HA1      GLY   5  60.026  -6.300   2.882
   30    H    ASP   6           HN       ASP   6  59.199  -8.147   3.885
   31    HA   ASP   6           HA       ASP   6  56.337  -8.554   3.472
   32    HB2  ASP   6           HB2      ASP   6  57.579 -10.225   2.022
   33    HB3  ASP   6           HB1      ASP   6  58.204 -10.927   3.514
   34    H    PHE   7           HN       PHE   7  57.494  -7.239   5.565
   35    HA   PHE   7           HA       PHE   7  57.781  -9.136   7.775
   36    HB2  PHE   7           HB2      PHE   7  58.890  -6.627   7.215
   37    HB3  PHE   7           HB1      PHE   7  57.768  -6.344   8.545
   38    HD1  PHE   7           HD1      PHE   7  60.672  -8.380   7.440
   39    HD2  PHE   7           HD2      PHE   7  58.192  -7.195  10.741
   40    HE1  PHE   7           HE1      PHE   7  62.280  -9.416   9.019
   41    HE2  PHE   7           HE2      PHE   7  59.800  -8.230  12.320
   42    HZ   PHE   7           HZ       PHE   7  61.844  -9.341  11.460
   43    H    ASP   8           HN       ASP   8  56.676  -8.260   9.893
   44    HA   ASP   8           HA       ASP   8  53.846  -8.446   9.443
   45    HB2  ASP   8           HB2      ASP   8  54.859  -7.620  12.105
   46    HB3  ASP   8           HB1      ASP   8  53.695  -8.872  11.680
   47    H    ASN   9           HN       ASN   9  55.742  -5.952   8.836
   48    HA   ASN   9           HA       ASN   9  54.741  -3.761  10.272
   49    HB2  ASN   9           HB2      ASN   9  56.586  -4.113   8.265
   50    HB3  ASN   9           HB1      ASN   9  55.306  -3.222   7.445
   51   HD21  ASN   9          HD21      ASN   9  58.079  -2.352   8.481
   52   HD22  ASN   9          HD22      ASN   9  57.745  -0.978   9.420
   53    H    TYR  10           HN       TYR  10  53.454  -5.515   7.519
   54    HA   TYR  10           HA       TYR  10  51.493  -3.658   6.712
   55    HB2  TYR  10           HB2      TYR  10  51.887  -6.603   6.385
   56    HB3  TYR  10           HB1      TYR  10  50.327  -5.900   5.953
   57    HD1  TYR  10           HD2      TYR  10  50.368  -3.799   4.421
   58    HD2  TYR  10           HD1      TYR  10  53.682  -6.494   4.874
   59    HE1  TYR  10           HE2      TYR  10  51.325  -2.981   2.284
   60    HE2  TYR  10           HE1      TYR  10  54.639  -5.676   2.738
   61    HH   TYR  10           HH       TYR  10  54.009  -4.559   0.750
   62    H    TYR  11           HN       TYR  11  50.957  -3.008   9.020
   63    HA   TYR  11           HA       TYR  11  49.624  -3.107  10.913
   64    HB2  TYR  11           HB2      TYR  11  47.567  -4.129   8.953
   65    HB3  TYR  11           HB1      TYR  11  47.308  -3.112  10.371
   66    HD1  TYR  11           HD2      TYR  11  48.107  -0.749  10.385
   67    HD2  TYR  11           HD1      TYR  11  48.301  -3.200   6.862
   68    HE1  TYR  11           HE2      TYR  11  48.434   1.277   8.993
   69    HE2  TYR  11           HE1      TYR  11  48.628  -1.173   5.470
   70    HH   TYR  11           HH       TYR  11  49.413   1.849   6.782
   71    H    GLY  12           HN       GLY  12  51.177  -5.443  10.646
   72    HA2  GLY  12           HA2      GLY  12  51.262  -7.691  11.210
   73    HA3  GLY  12           HA1      GLY  12  50.217  -7.153  12.522
   74    H    ALA  13           HN       ALA  13  49.777  -7.627   9.009
   75    HA   ALA  13           HA       ALA  13  47.537  -9.458   9.607
   76    HB1  ALA  13           HB1      ALA  13  46.574  -8.355   7.399
   77    HB2  ALA  13           HB2      ALA  13  47.551  -6.987   7.932
   78    HB3  ALA  13           HB3      ALA  13  46.286  -7.627   8.979
   79    H    ASP  14           HN       ASP  14  50.103  -8.441   7.438
   80    HA   ASP  14           HA       ASP  14  49.604 -10.603   5.564
   81    HB2  ASP  14           HB2      ASP  14  51.148  -9.591   4.199
   82    HB3  ASP  14           HB1      ASP  14  50.673  -8.198   5.169
   83    H    ASN  15           HN       ASN  15  51.634  -9.948   8.324
   84    HA   ASN  15           HA       ASN  15  53.634 -11.876   7.951
   85    HB2  ASN  15           HB2      ASN  15  54.246 -10.732   9.793
   86    HB3  ASN  15           HB1      ASN  15  52.583 -10.287  10.170
   87   HD21  ASN  15          HD21      ASN  15  54.870 -13.053  10.403
   88   HD22  ASN  15          HD22      ASN  15  54.132 -13.736  11.771
   89    H    GLN  16           HN       GLN  16  50.301 -12.178   8.908
   90    HA   GLN  16           HA       GLN  16  50.699 -15.022   9.576
   91    HB2  GLN  16           HB2      GLN  16  48.743 -14.936  10.828
   92    HB3  GLN  16           HB1      GLN  16  49.387 -13.311  11.065
   93    HG2  GLN  16           HG2      GLN  16  47.991 -12.702   8.953
   94    HG3  GLN  16           HG1      GLN  16  47.122 -14.199   9.290
   95   HE21  GLN  16          HE21      GLN  16  46.321 -11.228   9.588
   96   HE22  GLN  16          HE22      GLN  16  45.741 -11.128  11.179
   97    H    SER  17           HN       SER  17  50.003 -13.144   6.961
   98    HA   SER  17           HA       SER  17  48.059 -15.035   5.812
   99    HB2  SER  17           HB2      SER  17  47.373 -13.354   4.393
  100    HB3  SER  17           HB1      SER  17  47.911 -12.385   5.762
  101    HG   SER  17           HG       SER  17  49.404 -13.056   3.438
  102    H    GLU  18           HN       GLU  18  51.237 -13.577   5.238
  103    HA   GLU  18           HA       GLU  18  51.852 -14.664   2.763
  104    HB2  GLU  18           HB2      GLU  18  54.078 -14.156   3.226
  105    HB3  GLU  18           HB1      GLU  18  53.221 -13.080   4.330
  106    HG2  GLU  18           HG2      GLU  18  53.389 -15.071   6.011
  107    HG3  GLU  18           HG1      GLU  18  54.667 -15.647   4.942
  108    H    CYS  19           HN       CYS  19  51.522 -16.240   5.823
  109    HA   CYS  19           HA       CYS  19  53.068 -18.569   5.239
  110    HB2  CYS  19           HB2      CYS  19  50.812 -18.111   7.205
  111    HB3  CYS  19           HB1      CYS  19  51.813 -19.563   7.151
  112    HG   CYS  19           HG       CYS  19  53.602 -18.341   8.345
  113    H    GLU  20           HN       GLU  20  49.785 -17.566   4.574
  114    HA   GLU  20           HA       GLU  20  49.055 -20.242   3.627
  115    HB2  GLU  20           HB2      GLU  20  47.405 -17.705   3.723
  116    HB3  GLU  20           HB1      GLU  20  46.809 -19.331   3.384
  117    HG2  GLU  20           HG2      GLU  20  47.443 -20.078   5.614
  118    HG3  GLU  20           HG1      GLU  20  48.178 -18.514   5.961
  119    H    TYR  21           HN       TYR  21  50.069 -17.149   2.451
  120    HA   TYR  21           HA       TYR  21  49.042 -17.240  -0.171
  121    HB2  TYR  21           HB2      TYR  21  50.043 -15.217   0.799
  122    HB3  TYR  21           HB1      TYR  21  51.622 -16.002   0.821
  123    HD1  TYR  21           HD2      TYR  21  52.717 -16.666  -1.336
  124    HD2  TYR  21           HD1      TYR  21  49.135 -14.298  -1.218
  125    HE1  TYR  21           HE2      TYR  21  53.092 -15.982  -3.689
  126    HE2  TYR  21           HE1      TYR  21  49.510 -13.615  -3.572
  127    HH   TYR  21           HH       TYR  21  50.737 -14.572  -5.590
  128    H    THR  22           HN       THR  22  51.843 -18.746   1.313
  129    HA   THR  22           HA       THR  22  53.007 -19.603  -1.181
  130    HB   THR  22           HB       THR  22  54.495 -20.956   0.293
  131    HG1  THR  22           HG1      THR  22  53.995 -20.074   2.630
  132   HG21  THR  22          HG21      THR  22  55.016 -18.598  -0.231
  133   HG22  THR  22          HG22      THR  22  55.557 -19.029   1.390
  134   HG23  THR  22          HG23      THR  22  54.083 -18.084   1.174
  135    H    ASP  23           HN       ASP  23  50.551 -20.753   0.936
  136    HA   ASP  23           HA       ASP  23  50.712 -23.498  -0.061
  137    HB2  ASP  23           HB2      ASP  23  49.856 -22.372   2.337
  138    HB3  ASP  23           HB1      ASP  23  48.364 -22.852   1.530
  139    H    TRP  24           HN       TRP  24  48.321 -20.849   0.025
  140    HA   TRP  24           HA       TRP  24  46.274 -21.914  -1.433
  141    HB2  TRP  24           HB2      TRP  24  45.754 -19.774  -0.826
  142    HB3  TRP  24           HB1      TRP  24  47.383 -19.176  -1.140
  143    HD1  TRP  24           HD1      TRP  24  44.192 -20.223  -3.023
  144    HE1  TRP  24           HE1      TRP  24  44.149 -18.998  -5.290
  145    HE3  TRP  24           HE3      TRP  24  48.749 -17.923  -2.870
  146    HZ2  TRP  24           HZ2      TRP  24  45.825 -17.271  -6.836
  147    HZ3  TRP  24           HZ3      TRP  24  49.499 -16.495  -4.751
  148    HH2  TRP  24           HH2      TRP  24  48.046 -16.166  -6.731
  149    H    LYS  25           HN       LYS  25  49.035 -20.148  -2.857
  150    HA   LYS  25           HA       LYS  25  48.477 -20.452  -5.529
  151    HB2  LYS  25           HB2      LYS  25  50.425 -19.209  -4.574
  152    HB3  LYS  25           HB1      LYS  25  51.229 -20.756  -4.305
  153    HG2  LYS  25           HG2      LYS  25  51.147 -21.257  -6.695
  154    HG3  LYS  25           HG1      LYS  25  50.250 -19.769  -7.000
  155    HD2  LYS  25           HD2      LYS  25  52.151 -18.442  -6.162
  156    HD3  LYS  25           HD1      LYS  25  53.053 -19.927  -5.853
  157    HE2  LYS  25           HE2      LYS  25  53.751 -18.986  -7.998
  158    HE3  LYS  25           HE1      LYS  25  52.885 -20.497  -8.271
  159    HZ1  LYS  25           HZ1      LYS  25  51.474 -17.905  -8.297
  160    HZ2  LYS  25           HZ2      LYS  25  50.999 -19.382  -8.989
  161    HZ3  LYS  25           HZ3      LYS  25  52.261 -18.482  -9.684
  162    H    SER  26           HN       SER  26  49.336 -22.903  -3.257
  163    HA   SER  26           HA       SER  26  49.918 -24.838  -5.391
  164    HB2  SER  26           HB2      SER  26  51.150 -24.499  -3.013
  165    HB3  SER  26           HB1      SER  26  49.934 -25.687  -2.551
  166    HG   SER  26           HG       SER  26  51.252 -26.133  -4.950
  167    H    SER  27           HN       SER  27  47.779 -24.421  -2.574
  168    HA   SER  27           HA       SER  27  46.187 -26.726  -3.247
  169    HB2  SER  27           HB2      SER  27  44.644 -25.609  -1.463
  170    HB3  SER  27           HB1      SER  27  46.186 -26.294  -0.958
  171    HG   SER  27           HG       SER  27  47.071 -24.180  -1.158
  172    H    GLY  28           HN       GLY  28  46.477 -23.869  -4.760
  173    HA2  GLY  28           HA2      GLY  28  43.619 -23.410  -5.233
  174    HA3  GLY  28           HA1      GLY  28  44.942 -22.386  -5.784
  175    H    ALA  29           HN       ALA  29  45.868 -25.485  -6.390
  176    HA   ALA  29           HA       ALA  29  44.960 -25.307  -9.192
  177    HB1  ALA  29           HB1      ALA  29  46.862 -26.891  -9.624
  178    HB2  ALA  29           HB2      ALA  29  47.319 -26.716  -7.931
  179    HB3  ALA  29           HB3      ALA  29  47.361 -25.316  -9.003
  180    H    LEU  30           HN       LEU  30  43.134 -26.280  -7.298
  181    HA   LEU  30           HA       LEU  30  42.395 -28.748  -8.477
  182    HB2  LEU  30           HB2      LEU  30  42.632 -30.211  -6.492
  183    HB3  LEU  30           HB1      LEU  30  44.193 -29.684  -7.122
  184    HG   LEU  30           HG       LEU  30  43.474 -27.684  -5.310
  185   HD11  LEU  30          HD11      LEU  30  42.974 -28.935  -3.239
  186   HD12  LEU  30          HD12      LEU  30  42.885 -30.432  -4.166
  187   HD13  LEU  30          HD13      LEU  30  41.697 -29.157  -4.433
  188   HD21  LEU  30          HD21      LEU  30  45.291 -30.100  -5.090
  189   HD22  LEU  30          HD22      LEU  30  45.287 -28.789  -3.911
  190   HD23  LEU  30          HD23      LEU  30  45.735 -28.466  -5.587
  191    H    ILE  31           HN       ILE  31  42.067 -26.396  -5.903
  192    HA   ILE  31           HA       ILE  31  39.498 -27.321  -5.028
  193    HB   ILE  31           HB       ILE  31  40.816 -24.632  -4.586
  194   HG12  ILE  31          HG12      ILE  31  41.893 -26.920  -3.759
  195   HG13  ILE  31          HG11      ILE  31  41.842 -25.513  -2.703
  196   HG21  ILE  31          HG21      ILE  31  38.375 -25.983  -3.443
  197   HG22  ILE  31          HG22      ILE  31  38.523 -24.358  -4.112
  198   HG23  ILE  31          HG23      ILE  31  39.240 -24.734  -2.544
  199   HD11  ILE  31          HD11      ILE  31  40.019 -26.359  -1.464
  200   HD12  ILE  31          HD12      ILE  31  41.038 -27.771  -1.731
  201   HD13  ILE  31          HD13      ILE  31  39.596 -27.528  -2.714
  202    HA   PRO  32           HA       PRO  32  38.161 -23.524  -7.853
  203    HB2  PRO  32           HB2      PRO  32  39.792 -24.252 -10.226
  204    HB3  PRO  32           HB1      PRO  32  39.410 -22.650  -9.566
  205    HG2  PRO  32           HG2      PRO  32  41.837 -23.724  -9.316
  206    HG3  PRO  32           HG1      PRO  32  41.122 -22.721  -8.042
  207    HD2  PRO  32           HD2      PRO  32  41.427 -25.698  -8.150
  208    HD3  PRO  32           HD1      PRO  32  41.555 -24.602  -6.759
  209    H    ALA  33           HN       ALA  33  38.980 -26.794  -8.724
  210    HA   ALA  33           HA       ALA  33  37.155 -27.195 -10.838
  211    HB1  ALA  33           HB1      ALA  33  37.308 -29.650  -9.991
  212    HB2  ALA  33           HB2      ALA  33  38.522 -29.017  -8.879
  213    HB3  ALA  33           HB3      ALA  33  38.764 -28.877 -10.620
  214    H    ILE  34           HN       ILE  34  36.848 -28.368  -7.479
  215    HA   ILE  34           HA       ILE  34  34.199 -29.126  -7.546
  216    HB   ILE  34           HB       ILE  34  35.964 -28.079  -5.357
  217   HG12  ILE  34          HG12      ILE  34  35.650 -30.371  -4.519
  218   HG13  ILE  34          HG11      ILE  34  34.503 -30.701  -5.817
  219   HG21  ILE  34          HG21      ILE  34  32.987 -28.552  -5.259
  220   HG22  ILE  34          HG22      ILE  34  33.915 -27.217  -4.574
  221   HG23  ILE  34          HG23      ILE  34  33.989 -28.814  -3.833
  222   HD11  ILE  34          HD11      ILE  34  37.345 -29.813  -6.345
  223   HD12  ILE  34          HD12      ILE  34  36.197 -30.502  -7.493
  224   HD13  ILE  34          HD13      ILE  34  36.887 -31.511  -6.223
  225    H    TYR  35           HN       TYR  35  35.498 -25.913  -6.722
  226    HA   TYR  35           HA       TYR  35  33.137 -24.596  -6.123
  227    HB2  TYR  35           HB2      TYR  35  35.825 -23.836  -6.974
  228    HB3  TYR  35           HB1      TYR  35  34.591 -22.705  -7.530
  229    HD1  TYR  35           HD1      TYR  35  35.822 -24.503  -4.495
  230    HD2  TYR  35           HD2      TYR  35  33.605 -21.162  -6.038
  231    HE1  TYR  35           HE1      TYR  35  35.659 -23.554  -2.209
  232    HE2  TYR  35           HE2      TYR  35  33.443 -20.214  -3.753
  233    HH   TYR  35           HH       TYR  35  35.299 -20.904  -1.342
  234    H    MET  36           HN       MET  36  34.718 -24.770  -9.322
  235    HA   MET  36           HA       MET  36  32.689 -23.475 -10.763
  236    HB2  MET  36           HB2      MET  36  34.941 -25.307 -11.444
  237    HB3  MET  36           HB1      MET  36  33.690 -25.054 -12.663
  238    HG2  MET  36           HG2      MET  36  35.685 -23.428 -12.696
  239    HG3  MET  36           HG1      MET  36  34.072 -22.712 -12.729
  240    HE1  MET  36           HE1      MET  36  34.474 -20.512 -11.962
  241    HE2  MET  36           HE2      MET  36  34.375 -20.136 -10.244
  242    HE3  MET  36           HE3      MET  36  33.131 -21.133 -10.992
  243    H    LEU  37           HN       LEU  37  33.356 -26.986 -10.759
  244    HA   LEU  37           HA       LEU  37  31.093 -27.872 -12.032
  245    HB2  LEU  37           HB2      LEU  37  33.097 -29.214 -11.108
  246    HB3  LEU  37           HB1      LEU  37  32.159 -29.323  -9.619
  247    HG   LEU  37           HG       LEU  37  30.254 -29.999 -11.429
  248   HD11  LEU  37          HD11      LEU  37  31.125 -31.281 -13.211
  249   HD12  LEU  37          HD12      LEU  37  32.731 -31.359 -12.484
  250   HD13  LEU  37          HD13      LEU  37  32.154 -29.849 -13.188
  251   HD21  LEU  37          HD21      LEU  37  30.736 -31.302  -9.453
  252   HD22  LEU  37          HD22      LEU  37  32.318 -31.763 -10.080
  253   HD23  LEU  37          HD23      LEU  37  30.852 -32.388 -10.838
  254    H    VAL  38           HN       VAL  38  31.289 -26.340  -8.980
  255    HA   VAL  38           HA       VAL  38  28.610 -27.284  -8.200
  256    HB   VAL  38           HB       VAL  38  30.823 -25.891  -6.698
  257   HG11  VAL  38          HG11      VAL  38  29.102 -26.105  -4.757
  258   HG12  VAL  38          HG12      VAL  38  27.894 -26.162  -6.041
  259   HG13  VAL  38          HG13      VAL  38  28.935 -24.749  -5.873
  260   HG21  VAL  38          HG21      VAL  38  29.267 -28.424  -6.102
  261   HG22  VAL  38          HG22      VAL  38  30.741 -27.866  -5.310
  262   HG23  VAL  38          HG23      VAL  38  30.791 -28.406  -6.988
  263    H    PHE  39           HN       PHE  39  30.353 -24.527  -9.373
  264    HA   PHE  39           HA       PHE  39  28.310 -22.601  -8.671
  265    HB2  PHE  39           HB2      PHE  39  30.702 -21.968  -8.866
  266    HB3  PHE  39           HB1      PHE  39  30.640 -22.340 -10.588
  267    HD1  PHE  39           HD1      PHE  39  29.045 -21.058 -12.075
  268    HD2  PHE  39           HD2      PHE  39  29.863 -19.906  -8.018
  269    HE1  PHE  39           HE1      PHE  39  28.136 -18.797 -12.534
  270    HE2  PHE  39           HE2      PHE  39  28.953 -17.645  -8.477
  271    HZ   PHE  39           HZ       PHE  39  28.090 -17.090 -10.735
  272    H    LEU  40           HN       LEU  40  29.552 -23.899 -11.761
  273    HA   LEU  40           HA       LEU  40  27.474 -22.788 -13.341
  274    HB2  LEU  40           HB2      LEU  40  28.279 -24.339 -15.090
  275    HB3  LEU  40           HB1      LEU  40  29.609 -23.476 -14.318
  276    HG   LEU  40           HG       LEU  40  29.275 -25.737 -12.726
  277   HD11  LEU  40          HD11      LEU  40  29.233 -27.623 -14.255
  278   HD12  LEU  40          HD12      LEU  40  29.166 -26.543 -15.647
  279   HD13  LEU  40          HD13      LEU  40  27.795 -26.644 -14.542
  280   HD21  LEU  40          HD21      LEU  40  31.427 -24.801 -13.295
  281   HD22  LEU  40          HD22      LEU  40  31.173 -25.125 -15.010
  282   HD23  LEU  40          HD23      LEU  40  31.408 -26.463 -13.884
  283    H    LEU  41           HN       LEU  41  27.206 -25.016 -10.978
  284    HA   LEU  41           HA       LEU  41  25.200 -26.664 -12.366
  285    HB2  LEU  41           HB2      LEU  41  27.095 -27.146 -10.243
  286    HB3  LEU  41           HB1      LEU  41  25.461 -27.516  -9.696
  287    HG   LEU  41           HG       LEU  41  26.638 -28.520 -12.302
  288   HD11  LEU  41          HD11      LEU  41  26.201 -30.655 -10.522
  289   HD12  LEU  41          HD12      LEU  41  27.024 -29.418  -9.572
  290   HD13  LEU  41          HD13      LEU  41  27.760 -30.026 -11.055
  291   HD21  LEU  41          HD21      LEU  41  24.479 -30.062 -11.163
  292   HD22  LEU  41          HD22      LEU  41  24.550 -29.257 -12.729
  293   HD23  LEU  41          HD23      LEU  41  23.989 -28.375 -11.310
  294    H    GLY  42           HN       GLY  42  25.547 -25.087  -9.176
  295    HA2  GLY  42           HA2      GLY  42  22.634 -24.803  -9.021
  296    HA3  GLY  42           HA1      GLY  42  23.777 -24.535  -7.709
  297    H    THR  43           HN       THR  43  24.831 -23.119 -10.582
  298    HA   THR  43           HA       THR  43  23.550 -20.536  -9.969
  299    HB   THR  43           HB       THR  43  26.386 -20.373 -10.753
  300    HG1  THR  43           HG1      THR  43  25.819 -21.011  -8.080
  301   HG21  THR  43          HG21      THR  43  24.949 -18.436 -10.145
  302   HG22  THR  43          HG22      THR  43  26.352 -18.584  -9.088
  303   HG23  THR  43          HG23      THR  43  24.765 -19.109  -8.526
  304    H    THR  44           HN       THR  44  23.066 -22.479 -12.071
  305    HA   THR  44           HA       THR  44  23.656 -20.749 -14.385
  306    HB   THR  44           HB       THR  44  24.088 -23.727 -14.175
  307    HG1  THR  44           HG1      THR  44  25.884 -22.357 -15.576
  308   HG21  THR  44          HG21      THR  44  23.494 -22.013 -16.572
  309   HG22  THR  44          HG22      THR  44  22.891 -23.624 -16.184
  310   HG23  THR  44          HG23      THR  44  24.556 -23.413 -16.726
  311    H    GLY  45           HN       GLY  45  21.806 -23.591 -13.281
  312    HA2  GLY  45           HA2      GLY  45  19.564 -22.735 -15.000
  313    HA3  GLY  45           HA1      GLY  45  19.798 -24.362 -14.368
  314    H    ASN  46           HN       ASN  46  20.632 -22.567 -11.837
  315    HA   ASN  46           HA       ASN  46  18.058 -22.904 -10.543
  316    HB2  ASN  46           HB2      ASN  46  20.821 -22.167  -9.634
  317    HB3  ASN  46           HB1      ASN  46  19.440 -21.877  -8.579
  318   HD21  ASN  46          HD21      ASN  46  20.547 -24.569 -10.732
  319   HD22  ASN  46          HD22      ASN  46  20.230 -25.789  -9.596
  320    H    GLY  47           HN       GLY  47  20.306 -20.197 -11.133
  321    HA2  GLY  47           HA2      GLY  47  18.593 -18.179 -10.117
  322    HA3  GLY  47           HA1      GLY  47  19.967 -17.920 -11.190
  323    H    LEU  48           HN       LEU  48  19.325 -19.156 -13.475
  324    HA   LEU  48           HA       LEU  48  17.613 -17.409 -14.797
  325    HB2  LEU  48           HB2      LEU  48  19.263 -19.490 -15.547
  326    HB3  LEU  48           HB1      LEU  48  17.660 -20.097 -15.963
  327    HG   LEU  48           HG       LEU  48  17.221 -17.890 -17.118
  328   HD11  LEU  48          HD11      LEU  48  19.979 -17.239 -17.602
  329   HD12  LEU  48          HD12      LEU  48  19.685 -17.224 -15.864
  330   HD13  LEU  48          HD13      LEU  48  18.711 -16.215 -16.931
  331   HD21  LEU  48          HD21      LEU  48  17.684 -19.599 -18.630
  332   HD22  LEU  48          HD22      LEU  48  19.298 -19.878 -17.975
  333   HD23  LEU  48          HD23      LEU  48  18.992 -18.472 -18.995
  334    H    VAL  49           HN       VAL  49  16.922 -20.639 -13.479
  335    HA   VAL  49           HA       VAL  49  14.262 -20.839 -14.355
  336    HB   VAL  49           HB       VAL  49  15.806 -22.051 -12.082
  337   HG11  VAL  49          HG11      VAL  49  13.701 -21.920 -11.037
  338   HG12  VAL  49          HG12      VAL  49  13.652 -23.495 -11.829
  339   HG13  VAL  49          HG13      VAL  49  12.831 -22.115 -12.559
  340   HG21  VAL  49          HG21      VAL  49  15.981 -22.796 -14.517
  341   HG22  VAL  49          HG22      VAL  49  14.304 -23.323 -14.384
  342   HG23  VAL  49          HG23      VAL  49  15.543 -24.060 -13.368
  343    H    LEU  50           HN       LEU  50  15.393 -19.988 -11.074
  344    HA   LEU  50           HA       LEU  50  12.959 -19.162 -10.029
  345    HB2  LEU  50           HB2      LEU  50  15.804 -18.384  -9.452
  346    HB3  LEU  50           HB1      LEU  50  14.474 -17.590  -8.607
  347    HG   LEU  50           HG       LEU  50  14.449 -20.576  -8.770
  348   HD11  LEU  50          HD11      LEU  50  16.371 -18.903  -7.171
  349   HD12  LEU  50          HD12      LEU  50  16.665 -20.415  -8.029
  350   HD13  LEU  50          HD13      LEU  50  15.768 -20.423  -6.510
  351   HD21  LEU  50          HD21      LEU  50  13.871 -18.860  -6.369
  352   HD22  LEU  50          HD22      LEU  50  13.136 -20.392  -6.844
  353   HD23  LEU  50          HD23      LEU  50  12.713 -18.908  -7.699
  354    H    TRP  51           HN       TRP  51  15.051 -17.563 -12.292
  355    HA   TRP  51           HA       TRP  51  13.843 -14.954 -11.951
  356    HB2  TRP  51           HB2      TRP  51  16.148 -15.024 -12.646
  357    HB3  TRP  51           HB1      TRP  51  15.755 -16.067 -14.014
  358    HD1  TRP  51           HD1      TRP  51  15.469 -12.468 -12.796
  359    HE1  TRP  51           HE1      TRP  51  14.847 -10.958 -14.793
  360    HE3  TRP  51           HE3      TRP  51  14.577 -16.025 -16.350
  361    HZ2  TRP  51           HZ2      TRP  51  14.074 -11.224 -17.533
  362    HZ3  TRP  51           HZ3      TRP  51  13.900 -15.370 -18.642
  363    HH2  TRP  51           HH2      TRP  51  13.648 -12.976 -19.237
  364    H    THR  52           HN       THR  52  13.776 -17.520 -14.418
  365    HA   THR  52           HA       THR  52  11.954 -16.227 -16.155
  366    HB   THR  52           HB       THR  52  12.743 -19.111 -15.764
  367    HG1  THR  52           HG1      THR  52  13.415 -16.975 -17.386
  368   HG21  THR  52          HG21      THR  52  10.555 -19.388 -16.560
  369   HG22  THR  52          HG22      THR  52  11.503 -19.341 -18.045
  370   HG23  THR  52          HG23      THR  52  10.616 -17.910 -17.521
  371    H    VAL  53           HN       VAL  53  11.479 -18.620 -13.566
  372    HA   VAL  53           HA       VAL  53   8.712 -18.958 -13.857
  373    HB   VAL  53           HB       VAL  53  10.569 -19.210 -11.497
  374   HG11  VAL  53          HG11      VAL  53   8.600 -18.729 -10.344
  375   HG12  VAL  53          HG12      VAL  53   8.457 -20.475 -10.552
  376   HG13  VAL  53          HG13      VAL  53   7.574 -19.384 -11.620
  377   HG21  VAL  53          HG21      VAL  53   8.910 -21.374 -12.765
  378   HG22  VAL  53          HG22      VAL  53  10.466 -21.503 -11.943
  379   HG23  VAL  53          HG23      VAL  53  10.382 -20.827 -13.570
  380    H    PHE  54           HN       PHE  54  10.549 -16.661 -11.859
  381    HA   PHE  54           HA       PHE  54   8.412 -15.420 -10.564
  382    HB2  PHE  54           HB2      PHE  54  11.217 -14.844 -11.068
  383    HB3  PHE  54           HB1      PHE  54  10.238 -13.378 -11.062
  384    HD1  PHE  54           HD1      PHE  54  10.742 -16.549  -9.128
  385    HD2  PHE  54           HD2      PHE  54   9.648 -12.397  -9.018
  386    HE1  PHE  54           HE1      PHE  54  10.607 -16.651  -6.654
  387    HE2  PHE  54           HE2      PHE  54   9.513 -12.498  -6.544
  388    HZ   PHE  54           HZ       PHE  54   9.994 -14.624  -5.362
  389    H    ARG  55           HN       ARG  55   9.244 -15.409 -13.868
  390    HA   ARG  55           HA       ARG  55   7.711 -12.948 -14.386
  391    HB2  ARG  55           HB2      ARG  55   9.744 -14.513 -15.926
  392    HB3  ARG  55           HB1      ARG  55   8.572 -13.534 -16.809
  393    HG2  ARG  55           HG2      ARG  55   9.391 -11.543 -15.969
  394    HG3  ARG  55           HG1      ARG  55   9.962 -12.287 -14.475
  395    HD2  ARG  55           HD2      ARG  55  11.685 -11.548 -16.340
  396    HD3  ARG  55           HD1      ARG  55  11.932 -13.039 -15.436
  397    HE   ARG  55           HE       ARG  55  11.450 -14.248 -17.375
  398   HH11  ARG  55          HH21      ARG  55  10.669 -10.894 -17.720
  399   HH12  ARG  55          HH22      ARG  55  10.400 -10.990 -19.428
  400   HH21  ARG  55          HH11      ARG  55  11.098 -14.382 -19.616
  401   HH22  ARG  55          HH12      ARG  55  10.643 -12.965 -20.502
  402    H    LYS  56           HN       LYS  56   7.373 -16.315 -14.332
  403    HA   LYS  56           HA       LYS  56   5.171 -16.266 -16.290
  404    HB2  LYS  56           HB2      LYS  56   5.605 -18.453 -16.743
  405    HB3  LYS  56           HB1      LYS  56   7.189 -18.047 -16.088
  406    HG2  LYS  56           HG2      LYS  56   6.283 -18.746 -13.800
  407    HG3  LYS  56           HG1      LYS  56   4.885 -19.403 -14.652
  408    HD2  LYS  56           HD2      LYS  56   7.650 -20.204 -15.532
  409    HD3  LYS  56           HD1      LYS  56   6.924 -20.968 -14.120
  410    HE2  LYS  56           HE2      LYS  56   5.315 -22.041 -15.352
  411    HE3  LYS  56           HE1      LYS  56   5.210 -20.747 -16.544
  412    HZ1  LYS  56           HZ1      LYS  56   6.230 -22.557 -17.616
  413    HZ2  LYS  56           HZ2      LYS  56   7.287 -22.846 -16.316
  414    HZ3  LYS  56           HZ3      LYS  56   7.483 -21.463 -17.284
  415    H    LYS  57           HN       LYS  57   5.928 -16.724 -12.914
  416    HA   LYS  57           HA       LYS  57   3.131 -17.426 -12.327
  417    HB2  LYS  57           HB2      LYS  57   5.731 -17.836 -10.968
  418    HB3  LYS  57           HB1      LYS  57   4.354 -17.497  -9.918
  419    HG2  LYS  57           HG2      LYS  57   3.092 -19.334 -10.909
  420    HG3  LYS  57           HG1      LYS  57   4.386 -19.633 -12.071
  421    HD2  LYS  57           HD2      LYS  57   5.923 -20.000 -10.067
  422    HD3  LYS  57           HD1      LYS  57   4.467 -20.020  -9.073
  423    HE2  LYS  57           HE2      LYS  57   4.919 -22.304  -9.614
  424    HE3  LYS  57           HE1      LYS  57   3.573 -21.819 -10.644
  425    HZ1  LYS  57           HZ1      LYS  57   6.249 -21.380 -11.702
  426    HZ2  LYS  57           HZ2      LYS  57   4.836 -21.893 -12.494
  427    HZ3  LYS  57           HZ3      LYS  57   5.748 -22.995 -11.578
  428    H    GLY  58           HN       GLY  58   5.539 -14.925 -11.890
  429    HA2  GLY  58           HA2      GLY  58   4.011 -13.402  -9.983
  430    HA3  GLY  58           HA1      GLY  58   5.457 -12.866 -10.833
  431    H    HIS  59           HN       HIS  59   4.247 -13.596 -13.454
  432    HA   HIS  59           HA       HIS  59   3.252 -11.102 -14.212
  433    HB2  HIS  59           HB2      HIS  59   3.870 -13.511 -15.493
  434    HB3  HIS  59           HB1      HIS  59   2.168 -13.229 -15.858
  435    HD2  HIS  59           HD2      HIS  59   5.568 -12.021 -17.087
  436    HE1  HIS  59           HE1      HIS  59   2.788  -9.111 -18.364
  437    HE2  HIS  59           HE2      HIS  59   5.178  -9.936 -18.612
  438    H    HIS  60           HN       HIS  60   1.565 -14.003 -13.119
  439    HA   HIS  60           HA       HIS  60  -1.026 -12.653 -13.423
  440    HB2  HIS  60           HB2      HIS  60  -0.649 -15.050 -14.185
  441    HB3  HIS  60           HB1      HIS  60  -0.536 -15.478 -12.477
  442    HD2  HIS  60           HD2      HIS  60  -3.225 -13.061 -14.161
  443    HE1  HIS  60           HE1      HIS  60  -5.228 -16.144 -12.085
  444    HE2  HIS  60           HE2      HIS  60  -5.544 -14.014 -13.430
  445    H    HIS  61           HN       HIS  61  -0.362 -11.129 -11.680
  446    HA   HIS  61           HA       HIS  61  -0.062 -12.093  -8.996
  447    HB2  HIS  61           HB2      HIS  61  -0.244  -9.460 -10.341
  448    HB3  HIS  61           HB1      HIS  61  -0.774  -9.508  -8.659
  449    HD2  HIS  61           HD2      HIS  61   2.429  -8.795 -10.337
  450    HE1  HIS  61           HE1      HIS  61   3.602 -10.974  -6.916
  451    HE2  HIS  61           HE2      HIS  61   4.423  -9.473  -8.793
  452    H    HIS  62           HN       HIS  62  -2.635 -12.308 -10.935
  453    HA   HIS  62           HA       HIS  62  -4.827 -12.871 -10.450
  454    HB2  HIS  62           HB2      HIS  62  -3.686 -13.333  -8.072
  455    HB3  HIS  62           HB1      HIS  62  -4.663 -11.931  -7.631
  456    HD2  HIS  62           HD2      HIS  62  -7.120 -12.986  -9.886
  457    HE1  HIS  62           HE1      HIS  62  -7.521 -16.023  -6.981
  458    HE2  HIS  62           HE2      HIS  62  -8.644 -14.892  -8.958
  459    H    HIS  63           HN       HIS  63  -3.479  -9.888  -9.158
  460    HA   HIS  63           HA       HIS  63  -5.866  -8.458 -10.138
  461    HB2  HIS  63           HB2      HIS  63  -4.544  -8.199  -7.440
  462    HB3  HIS  63           HB1      HIS  63  -5.522  -6.902  -8.127
  463    HD2  HIS  63           HD2      HIS  63  -7.741  -7.303  -6.418
  464    HE1  HIS  63           HE1      HIS  63  -8.547 -11.269  -7.620
  465    HE2  HIS  63           HE2      HIS  63  -9.415  -9.301  -6.270
  466    H    HIS  64           HN       HIS  64  -3.467  -8.790 -11.539
  467    HA   HIS  64           HA       HIS  64  -1.682  -7.650 -12.476
  468    HB2  HIS  64           HB2      HIS  64  -3.709  -5.417 -12.201
  469    HB3  HIS  64           HB1      HIS  64  -2.322  -5.418 -13.291
  470    HD2  HIS  64           HD2      HIS  64  -5.965  -6.581 -13.306
  471    HE1  HIS  64           HE1      HIS  64  -4.079  -8.623 -16.483
  472    HE2  HIS  64           HE2      HIS  64  -6.319  -8.054 -15.432
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  41.982  19.607   9.768
    2    H2   MET   1           HT2      MET   1  42.370  19.806  11.411
    3    H3   MET   1           HT3      MET   1  40.750  19.877  10.901
    4    HA   MET   1           HA       MET   1  41.160  17.763  11.945
    5    HB2  MET   1           HB2      MET   1  41.127  17.021   9.061
    6    HB3  MET   1           HB1      MET   1  40.023  16.554  10.356
    7    HG2  MET   1           HG2      MET   1  39.163  18.937  10.348
    8    HG3  MET   1           HG1      MET   1  40.111  19.199   8.884
    9    HE1  MET   1           HE1      MET   1  37.320  19.839   9.072
   10    HE2  MET   1           HE2      MET   1  36.574  18.525   9.979
   11    HE3  MET   1           HE3      MET   1  36.132  18.785   8.293
   12    H    GLU   2           HN       GLU   2  43.084  17.128  12.790
   13    HA   GLU   2           HA       GLU   2  45.488  16.882  11.262
   14    HB2  GLU   2           HB2      GLU   2  44.856  15.652  13.953
   15    HB3  GLU   2           HB1      GLU   2  46.455  15.971  13.279
   16    HG2  GLU   2           HG2      GLU   2  44.373  18.078  13.929
   17    HG3  GLU   2           HG1      GLU   2  45.800  17.721  14.900
   18    H    GLU   3           HN       GLU   3  46.616  14.962  10.720
   19    HA   GLU   3           HA       GLU   3  45.560  12.356  11.049
   20    HB2  GLU   3           HB2      GLU   3  44.914  11.932   8.682
   21    HB3  GLU   3           HB1      GLU   3  43.838  13.073   9.490
   22    HG2  GLU   3           HG2      GLU   3  45.242  14.940   8.520
   23    HG3  GLU   3           HG1      GLU   3  46.078  13.721   7.560
   24    H    GLY   4           HN       GLY   4  46.527  11.063   8.839
   25    HA2  GLY   4           HA2      GLY   4  49.179  12.008   8.165
   26    HA3  GLY   4           HA1      GLY   4  49.170  10.643   9.278
   27    H    GLY   5           HN       GLY   5  49.329   8.716   8.338
   28    HA2  GLY   5           HA2      GLY   5  47.904   7.329   6.652
   29    HA3  GLY   5           HA1      GLY   5  48.619   8.447   5.495
   30    H    ASP   6           HN       ASP   6  50.034   7.231   4.371
   31    HA   ASP   6           HA       ASP   6  51.879   5.950   3.894
   32    HB2  ASP   6           HB2      ASP   6  52.782   7.752   5.587
   33    HB3  ASP   6           HB1      ASP   6  52.919   6.368   6.669
   34    H    PHE   7           HN       PHE   7  49.738   4.451   4.524
   35    HA   PHE   7           HA       PHE   7  49.998   2.672   6.692
   36    HB2  PHE   7           HB2      PHE   7  48.300   2.971   4.403
   37    HB3  PHE   7           HB1      PHE   7  48.806   1.286   4.525
   38    HD1  PHE   7           HD1      PHE   7  47.449   4.112   6.569
   39    HD2  PHE   7           HD2      PHE   7  47.800  -0.143   6.097
   40    HE1  PHE   7           HE1      PHE   7  45.869   3.772   8.450
   41    HE2  PHE   7           HE2      PHE   7  46.220  -0.483   7.979
   42    HZ   PHE   7           HZ       PHE   7  45.254   1.476   9.155
   43    H    ASP   8           HN       ASP   8  50.921   0.645   6.882
   44    HA   ASP   8           HA       ASP   8  53.138   0.119   5.044
   45    HB2  ASP   8           HB2      ASP   8  52.404  -1.098   7.716
   46    HB3  ASP   8           HB1      ASP   8  53.828  -1.534   6.773
   47    H    ASN   9           HN       ASN   9  50.206  -0.430   4.479
   48    HA   ASN   9           HA       ASN   9  49.485  -3.074   4.547
   49    HB2  ASN   9           HB2      ASN   9  48.475  -2.585   2.205
   50    HB3  ASN   9           HB1      ASN   9  47.910  -1.641   3.582
   51   HD21  ASN   9          HD21      ASN   9  47.364  -0.025   1.755
   52   HD22  ASN   9          HD22      ASN   9  48.594   1.038   1.268
   53    H    TYR  10           HN       TYR  10  50.738  -1.814   1.483
   54    HA   TYR  10           HA       TYR  10  51.507  -4.139   0.307
   55    HB2  TYR  10           HB2      TYR  10  52.874  -1.447   0.226
   56    HB3  TYR  10           HB1      TYR  10  53.337  -2.788  -0.820
   57    HD1  TYR  10           HD1      TYR  10  51.535  -3.861  -2.290
   58    HD2  TYR  10           HD2      TYR  10  51.007  -0.092  -0.298
   59    HE1  TYR  10           HE1      TYR  10  49.669  -3.309  -3.828
   60    HE2  TYR  10           HE2      TYR  10  49.141   0.460  -1.835
   61    HH   TYR  10           HH       TYR  10  48.052  -1.864  -4.308
   62    H    TYR  11           HN       TYR  11  53.325  -5.460   0.254
   63    HA   TYR  11           HA       TYR  11  55.026  -6.677   1.210
   64    HB2  TYR  11           HB2      TYR  11  56.124  -4.441   0.468
   65    HB3  TYR  11           HB1      TYR  11  56.172  -4.079   2.194
   66    HD1  TYR  11           HD2      TYR  11  57.162  -6.636  -0.341
   67    HD2  TYR  11           HD1      TYR  11  57.821  -5.039   3.592
   68    HE1  TYR  11           HE2      TYR  11  59.169  -8.072  -0.093
   69    HE2  TYR  11           HE1      TYR  11  59.827  -6.477   3.840
   70    HH   TYR  11           HH       TYR  11  61.387  -7.894   1.368
   71    H    GLY  12           HN       GLY  12  52.746  -6.454   2.822
   72    HA2  GLY  12           HA2      GLY  12  53.722  -7.286   5.325
   73    HA3  GLY  12           HA1      GLY  12  53.215  -5.605   5.462
   74    H    ALA  13           HN       ALA  13  51.125  -5.957   3.399
   75    HA   ALA  13           HA       ALA  13  49.086  -7.111   5.161
   76    HB1  ALA  13           HB1      ALA  13  48.248  -5.090   4.463
   77    HB2  ALA  13           HB2      ALA  13  47.638  -6.104   3.156
   78    HB3  ALA  13           HB3      ALA  13  49.101  -5.148   2.920
   79    H    ASP  14           HN       ASP  14  50.717  -7.694   2.152
   80    HA   ASP  14           HA       ASP  14  48.891  -9.942   1.560
   81    HB2  ASP  14           HB2      ASP  14  49.662  -9.823  -0.721
   82    HB3  ASP  14           HB1      ASP  14  49.190  -8.201  -0.217
   83    H    ASN  15           HN       ASN  15  52.024  -9.106   2.632
   84    HA   ASN  15           HA       ASN  15  53.655 -11.142   1.716
   85    HB2  ASN  15           HB2      ASN  15  53.573  -9.420   4.109
   86    HB3  ASN  15           HB1      ASN  15  54.472 -10.923   4.307
   87   HD21  ASN  15          HD21      ASN  15  55.919 -11.376   2.163
   88   HD22  ASN  15          HD22      ASN  15  56.821 -10.033   1.649
   89    H    GLN  16           HN       GLN  16  50.895 -11.362   3.739
   90    HA   GLN  16           HA       GLN  16  51.638 -13.952   4.856
   91    HB2  GLN  16           HB2      GLN  16  49.770 -13.752   6.231
   92    HB3  GLN  16           HB1      GLN  16  50.229 -12.065   5.998
   93    HG2  GLN  16           HG2      GLN  16  48.631 -12.160   3.942
   94    HG3  GLN  16           HG1      GLN  16  47.971 -13.595   4.725
   95   HE21  GLN  16          HE21      GLN  16  48.717 -10.138   5.417
   96   HE22  GLN  16          HE22      GLN  16  47.451  -9.939   6.529
   97    H    SER  17           HN       SER  17  49.823 -12.634   2.209
   98    HA   SER  17           HA       SER  17  48.285 -15.020   1.695
   99    HB2  SER  17           HB2      SER  17  47.691 -13.860  -0.420
  100    HB3  SER  17           HB1      SER  17  47.411 -12.858   1.001
  101    HG   SER  17           HG       SER  17  49.298 -11.759   0.567
  102    H    GLU  18           HN       GLU  18  51.084 -13.440   0.151
  103    HA   GLU  18           HA       GLU  18  51.559 -15.208  -1.913
  104    HB2  GLU  18           HB2      GLU  18  53.833 -14.445  -1.904
  105    HB3  GLU  18           HB1      GLU  18  52.828 -13.084  -1.405
  106    HG2  GLU  18           HG2      GLU  18  54.304 -12.950   0.325
  107    HG3  GLU  18           HG1      GLU  18  53.322 -14.245   1.006
  108    H    CYS  19           HN       CYS  19  51.635 -15.853   1.418
  109    HA   CYS  19           HA       CYS  19  53.616 -17.897   1.490
  110    HB2  CYS  19           HB2      CYS  19  52.623 -16.672   3.480
  111    HB3  CYS  19           HB1      CYS  19  51.195 -17.689   3.285
  112    HG   CYS  19           HG       CYS  19  53.120 -19.729   3.440
  113    H    GLU  20           HN       GLU  20  50.252 -17.807   0.564
  114    HA   GLU  20           HA       GLU  20  50.100 -20.732   0.435
  115    HB2  GLU  20           HB2      GLU  20  47.794 -20.499   0.280
  116    HB3  GLU  20           HB1      GLU  20  48.220 -19.095   1.259
  117    HG2  GLU  20           HG2      GLU  20  48.438 -17.859  -1.021
  118    HG3  GLU  20           HG1      GLU  20  47.493 -19.202  -1.661
  119    H    TYR  21           HN       TYR  21  51.525 -18.575  -1.408
  120    HA   TYR  21           HA       TYR  21  50.377 -18.982  -3.992
  121    HB2  TYR  21           HB2      TYR  21  51.891 -17.070  -3.300
  122    HB3  TYR  21           HB1      TYR  21  53.234 -18.210  -3.382
  123    HD1  TYR  21           HD2      TYR  21  53.640 -19.461  -5.571
  124    HD2  TYR  21           HD1      TYR  21  51.021 -16.070  -5.263
  125    HE1  TYR  21           HE2      TYR  21  53.760 -19.144  -8.028
  126    HE2  TYR  21           HE1      TYR  21  51.140 -15.754  -7.720
  127    HH   TYR  21           HH       TYR  21  52.790 -18.088  -9.794
  128    H    THR  22           HN       THR  22  53.172 -20.393  -2.301
  129    HA   THR  22           HA       THR  22  53.986 -22.105  -4.392
  130    HB   THR  22           HB       THR  22  55.273 -23.273  -2.694
  131    HG1  THR  22           HG1      THR  22  54.198 -23.516  -0.904
  132   HG21  THR  22          HG21      THR  22  55.295 -20.454  -3.120
  133   HG22  THR  22          HG22      THR  22  56.649 -21.499  -2.689
  134   HG23  THR  22          HG23      THR  22  55.678 -20.744  -1.423
  135    H    ASP  23           HN       ASP  23  51.435 -22.321  -2.046
  136    HA   ASP  23           HA       ASP  23  50.999 -25.168  -2.576
  137    HB2  ASP  23           HB2      ASP  23  50.651 -24.712  -0.312
  138    HB3  ASP  23           HB1      ASP  23  49.852 -23.176  -0.642
  139    H    TRP  24           HN       TRP  24  49.448 -22.029  -3.105
  140    HA   TRP  24           HA       TRP  24  46.994 -22.751  -4.100
  141    HB2  TRP  24           HB2      TRP  24  47.403 -20.443  -3.960
  142    HB3  TRP  24           HB1      TRP  24  48.895 -20.558  -4.893
  143    HD1  TRP  24           HD1      TRP  24  45.115 -21.201  -5.434
  144    HE1  TRP  24           HE1      TRP  24  44.531 -20.538  -7.855
  145    HE3  TRP  24           HE3      TRP  24  49.748 -19.886  -7.130
  146    HZ2  TRP  24           HZ2      TRP  24  45.855 -19.577 -10.203
  147    HZ3  TRP  24           HZ3      TRP  24  50.058 -19.100  -9.459
  148    HH2  TRP  24           HH2      TRP  24  48.119 -18.944 -10.997
  149    H    LYS  25           HN       LYS  25  50.000 -22.456  -6.004
  150    HA   LYS  25           HA       LYS  25  49.095 -23.189  -8.488
  151    HB2  LYS  25           HB2      LYS  25  51.681 -24.051  -7.174
  152    HB3  LYS  25           HB1      LYS  25  51.352 -24.099  -8.907
  153    HG2  LYS  25           HG2      LYS  25  50.910 -21.634  -8.836
  154    HG3  LYS  25           HG1      LYS  25  51.412 -21.635  -7.145
  155    HD2  LYS  25           HD2      LYS  25  53.557 -21.469  -7.793
  156    HD3  LYS  25           HD1      LYS  25  53.412 -23.021  -8.621
  157    HE2  LYS  25           HE2      LYS  25  52.491 -21.849 -10.610
  158    HE3  LYS  25           HE1      LYS  25  52.723 -20.307  -9.786
  159    HZ1  LYS  25           HZ1      LYS  25  54.982 -22.171 -10.050
  160    HZ2  LYS  25           HZ2      LYS  25  54.995 -20.478  -9.904
  161    HZ3  LYS  25           HZ3      LYS  25  54.542 -21.203 -11.373
  162    H    SER  26           HN       SER  26  49.604 -25.224  -5.687
  163    HA   SER  26           HA       SER  26  49.127 -27.669  -7.209
  164    HB2  SER  26           HB2      SER  26  49.987 -27.013  -4.432
  165    HB3  SER  26           HB1      SER  26  49.178 -28.555  -4.698
  166    HG   SER  26           HG       SER  26  50.854 -28.340  -6.660
  167    H    SER  27           HN       SER  27  47.589 -25.882  -4.532
  168    HA   SER  27           HA       SER  27  45.216 -27.553  -4.680
  169    HB2  SER  27           HB2      SER  27  46.131 -25.299  -2.932
  170    HB3  SER  27           HB1      SER  27  44.422 -25.726  -2.975
  171    HG   SER  27           HG       SER  27  46.147 -26.855  -1.501
  172    H    GLY  28           HN       GLY  28  46.197 -25.568  -6.847
  173    HA2  GLY  28           HA2      GLY  28  43.570 -24.258  -7.246
  174    HA3  GLY  28           HA1      GLY  28  45.084 -23.444  -7.627
  175    H    ALA  29           HN       ALA  29  44.396 -26.855  -8.183
  176    HA   ALA  29           HA       ALA  29  44.094 -26.385 -11.061
  177    HB1  ALA  29           HB1      ALA  29  46.574 -26.802 -10.301
  178    HB2  ALA  29           HB2      ALA  29  45.938 -27.629 -11.722
  179    HB3  ALA  29           HB3      ALA  29  46.046 -28.480 -10.181
  180    H    LEU  30           HN       LEU  30  43.157 -27.924  -8.279
  181    HA   LEU  30           HA       LEU  30  41.683 -29.947  -9.826
  182    HB2  LEU  30           HB2      LEU  30  42.055 -31.552  -7.900
  183    HB3  LEU  30           HB1      LEU  30  43.470 -31.230  -8.902
  184    HG   LEU  30           HG       LEU  30  43.284 -29.272  -6.775
  185   HD11  LEU  30          HD11      LEU  30  43.447 -32.180  -5.923
  186   HD12  LEU  30          HD12      LEU  30  42.084 -31.108  -5.601
  187   HD13  LEU  30          HD13      LEU  30  43.657 -30.778  -4.876
  188   HD21  LEU  30          HD21      LEU  30  45.579 -30.108  -6.337
  189   HD22  LEU  30          HD22      LEU  30  45.317 -29.808  -8.055
  190   HD23  LEU  30          HD23      LEU  30  45.286 -31.458  -7.434
  191    H    ILE  31           HN       ILE  31  41.987 -27.995  -6.914
  192    HA   ILE  31           HA       ILE  31  39.434 -28.734  -5.843
  193    HB   ILE  31           HB       ILE  31  40.782 -26.159  -5.134
  194   HG12  ILE  31          HG12      ILE  31  41.838 -28.948  -4.727
  195   HG13  ILE  31          HG11      ILE  31  42.719 -27.484  -5.162
  196   HG21  ILE  31          HG21      ILE  31  38.613 -27.194  -4.121
  197   HG22  ILE  31          HG22      ILE  31  39.842 -26.570  -3.020
  198   HG23  ILE  31          HG23      ILE  31  39.718 -28.305  -3.309
  199   HD11  ILE  31          HD11      ILE  31  41.666 -28.317  -2.467
  200   HD12  ILE  31          HD12      ILE  31  41.963 -26.615  -2.824
  201   HD13  ILE  31          HD13      ILE  31  43.288 -27.777  -2.901
  202    HA   PRO  32           HA       PRO  32  38.301 -24.397  -7.835
  203    HB2  PRO  32           HB2      PRO  32  39.689 -24.711 -10.431
  204    HB3  PRO  32           HB1      PRO  32  39.560 -23.284  -9.387
  205    HG2  PRO  32           HG2      PRO  32  41.839 -24.668  -9.644
  206    HG3  PRO  32           HG1      PRO  32  41.375 -23.871  -8.130
  207    HD2  PRO  32           HD2      PRO  32  41.274 -26.776  -8.843
  208    HD3  PRO  32           HD1      PRO  32  41.640 -26.010  -7.283
  209    H    ALA  33           HN       ALA  33  38.894 -27.338  -9.689
  210    HA   ALA  33           HA       ALA  33  36.887 -27.165 -11.606
  211    HB1  ALA  33           HB1      ALA  33  36.948 -29.854 -10.764
  212    HB2  ALA  33           HB2      ALA  33  38.575 -29.224 -10.506
  213    HB3  ALA  33           HB3      ALA  33  37.837 -29.130 -12.105
  214    H    ILE  34           HN       ILE  34  36.573 -29.214  -8.708
  215    HA   ILE  34           HA       ILE  34  33.838 -29.552  -8.780
  216    HB   ILE  34           HB       ILE  34  35.848 -29.540  -6.561
  217   HG12  ILE  34          HG12      ILE  34  35.233 -31.423  -8.324
  218   HG13  ILE  34          HG11      ILE  34  35.570 -31.844  -6.647
  219   HG21  ILE  34          HG21      ILE  34  32.844 -29.557  -6.271
  220   HG22  ILE  34          HG22      ILE  34  34.036 -28.647  -5.341
  221   HG23  ILE  34          HG23      ILE  34  33.877 -30.386  -5.106
  222   HD11  ILE  34          HD11      ILE  34  33.438 -32.837  -7.733
  223   HD12  ILE  34          HD12      ILE  34  32.761 -31.219  -7.556
  224   HD13  ILE  34          HD13      ILE  34  33.282 -32.119  -6.132
  225    H    TYR  35           HN       TYR  35  35.660 -26.961  -7.167
  226    HA   TYR  35           HA       TYR  35  33.572 -25.606  -5.947
  227    HB2  TYR  35           HB2      TYR  35  36.294 -24.998  -6.773
  228    HB3  TYR  35           HB1      TYR  35  35.238 -23.591  -6.911
  229    HD1  TYR  35           HD1      TYR  35  36.564 -26.156  -4.598
  230    HD2  TYR  35           HD2      TYR  35  34.250 -22.557  -4.965
  231    HE1  TYR  35           HE1      TYR  35  36.624 -25.869  -2.136
  232    HE2  TYR  35           HE2      TYR  35  34.308 -22.268  -2.503
  233    HH   TYR  35           HH       TYR  35  35.505 -22.948  -0.602
  234    H    MET  36           HN       MET  36  34.993 -24.692  -9.095
  235    HA   MET  36           HA       MET  36  32.909 -22.951  -9.832
  236    HB2  MET  36           HB2      MET  36  35.170 -24.288 -11.232
  237    HB3  MET  36           HB1      MET  36  33.870 -23.635 -12.231
  238    HG2  MET  36           HG2      MET  36  35.233 -22.032 -10.056
  239    HG3  MET  36           HG1      MET  36  35.767 -22.017 -11.737
  240    HE1  MET  36           HE1      MET  36  34.598 -19.603  -9.741
  241    HE2  MET  36           HE2      MET  36  33.475 -20.794  -9.092
  242    HE3  MET  36           HE3      MET  36  32.853 -19.344  -9.877
  243    H    LEU  37           HN       LEU  37  33.585 -26.260 -10.992
  244    HA   LEU  37           HA       LEU  37  31.427 -26.685 -12.616
  245    HB2  LEU  37           HB2      LEU  37  33.311 -28.306 -12.027
  246    HB3  LEU  37           HB1      LEU  37  32.339 -28.765 -10.628
  247    HG   LEU  37           HG       LEU  37  30.482 -28.854 -12.650
  248   HD11  LEU  37          HD11      LEU  37  33.064 -29.990 -13.760
  249   HD12  LEU  37          HD12      LEU  37  32.347 -28.471 -14.295
  250   HD13  LEU  37          HD13      LEU  37  31.484 -29.989 -14.544
  251   HD21  LEU  37          HD21      LEU  37  30.818 -30.550 -10.906
  252   HD22  LEU  37          HD22      LEU  37  32.319 -31.068 -11.677
  253   HD23  LEU  37          HD23      LEU  37  30.775 -31.319 -12.493
  254    H    VAL  38           HN       VAL  38  31.441 -26.331  -9.166
  255    HA   VAL  38           HA       VAL  38  28.631 -27.199  -8.991
  256    HB   VAL  38           HB       VAL  38  30.722 -26.636  -6.881
  257   HG11  VAL  38          HG11      VAL  38  27.745 -27.031  -6.700
  258   HG12  VAL  38          HG12      VAL  38  28.766 -25.888  -5.828
  259   HG13  VAL  38          HG13      VAL  38  28.789 -27.598  -5.396
  260   HG21  VAL  38          HG21      VAL  38  29.150 -29.158  -7.469
  261   HG22  VAL  38          HG22      VAL  38  30.573 -28.991  -6.442
  262   HG23  VAL  38          HG23      VAL  38  30.723 -28.826  -8.191
  263    H    PHE  39           HN       PHE  39  30.696 -24.400  -8.830
  264    HA   PHE  39           HA       PHE  39  28.828 -22.655  -7.551
  265    HB2  PHE  39           HB2      PHE  39  31.400 -22.386  -7.870
  266    HB3  PHE  39           HB1      PHE  39  30.963 -21.699  -9.435
  267    HD1  PHE  39           HD1      PHE  39  29.636 -19.630  -9.581
  268    HD2  PHE  39           HD2      PHE  39  30.850 -21.252  -5.793
  269    HE1  PHE  39           HE1      PHE  39  29.075 -17.480  -8.481
  270    HE2  PHE  39           HE2      PHE  39  30.289 -19.102  -4.692
  271    HZ   PHE  39           HZ       PHE  39  29.401 -17.215  -6.036
  272    H    LEU  40           HN       LEU  40  29.917 -22.858 -10.950
  273    HA   LEU  40           HA       LEU  40  27.980 -21.089 -11.975
  274    HB2  LEU  40           HB2      LEU  40  28.533 -22.074 -14.171
  275    HB3  LEU  40           HB1      LEU  40  29.984 -21.706 -13.238
  276    HG   LEU  40           HG       LEU  40  29.404 -24.279 -12.431
  277   HD11  LEU  40          HD11      LEU  40  29.032 -24.224 -15.431
  278   HD12  LEU  40          HD12      LEU  40  27.662 -24.249 -14.321
  279   HD13  LEU  40          HD13      LEU  40  28.814 -25.585 -14.331
  280   HD21  LEU  40          HD21      LEU  40  31.263 -24.871 -14.098
  281   HD22  LEU  40          HD22      LEU  40  31.632 -23.594 -12.939
  282   HD23  LEU  40          HD23      LEU  40  31.205 -23.182 -14.599
  283    H    LEU  41           HN       LEU  41  27.930 -24.571 -11.419
  284    HA   LEU  41           HA       LEU  41  25.692 -25.337 -12.845
  285    HB2  LEU  41           HB2      LEU  41  27.253 -26.404 -10.718
  286    HB3  LEU  41           HB1      LEU  41  25.555 -26.581 -10.276
  287    HG   LEU  41           HG       LEU  41  26.744 -27.431 -12.934
  288   HD11  LEU  41          HD11      LEU  41  25.915 -29.719 -11.765
  289   HD12  LEU  41          HD12      LEU  41  26.369 -28.810 -10.323
  290   HD13  LEU  41          HD13      LEU  41  27.559 -29.105 -11.590
  291   HD21  LEU  41          HD21      LEU  41  24.599 -27.577 -13.610
  292   HD22  LEU  41          HD22      LEU  41  24.061 -26.947 -12.052
  293   HD23  LEU  41          HD23      LEU  41  24.261 -28.685 -12.279
  294    H    GLY  42           HN       GLY  42  25.534 -24.682  -9.345
  295    HA2  GLY  42           HA2      GLY  42  22.757 -24.349  -9.235
  296    HA3  GLY  42           HA1      GLY  42  23.895 -23.722  -8.047
  297    H    THR  43           HN       THR  43  25.258 -21.794  -9.162
  298    HA   THR  43           HA       THR  43  23.646 -19.567  -9.237
  299    HB   THR  43           HB       THR  43  26.330 -20.084 -10.512
  300    HG1  THR  43           HG1      THR  43  26.139 -18.225  -8.568
  301   HG21  THR  43          HG21      THR  43  25.510 -18.317 -11.839
  302   HG22  THR  43          HG22      THR  43  26.387 -17.495 -10.549
  303   HG23  THR  43          HG23      THR  43  24.627 -17.598 -10.492
  304    H    THR  44           HN       THR  44  23.878 -21.993 -11.588
  305    HA   THR  44           HA       THR  44  22.719 -20.238 -13.668
  306    HB   THR  44           HB       THR  44  24.074 -22.931 -13.946
  307    HG1  THR  44           HG1      THR  44  25.256 -20.825 -13.505
  308   HG21  THR  44          HG21      THR  44  23.983 -22.093 -16.428
  309   HG22  THR  44          HG22      THR  44  22.639 -21.109 -15.850
  310   HG23  THR  44          HG23      THR  44  22.566 -22.867 -15.721
  311    H    GLY  45           HN       GLY  45  22.215 -23.039 -11.667
  312    HA2  GLY  45           HA2      GLY  45  19.730 -23.717 -13.088
  313    HA3  GLY  45           HA1      GLY  45  20.526 -24.708 -11.868
  314    H    ASN  46           HN       ASN  46  20.726 -21.733 -10.616
  315    HA   ASN  46           HA       ASN  46  18.215 -22.049  -9.092
  316    HB2  ASN  46           HB2      ASN  46  19.361 -21.522  -7.227
  317    HB3  ASN  46           HB1      ASN  46  20.806 -21.851  -8.181
  318   HD21  ASN  46          HD21      ASN  46  21.740 -19.895  -9.377
  319   HD22  ASN  46          HD22      ASN  46  21.570 -18.368  -8.654
  320    H    GLY  47           HN       GLY  47  20.322 -19.628 -10.619
  321    HA2  GLY  47           HA2      GLY  47  18.573 -17.421 -10.173
  322    HA3  GLY  47           HA1      GLY  47  19.907 -17.471 -11.322
  323    H    LEU  48           HN       LEU  48  19.315 -19.259 -13.150
  324    HA   LEU  48           HA       LEU  48  17.529 -18.111 -14.885
  325    HB2  LEU  48           HB2      LEU  48  19.162 -19.922 -15.452
  326    HB3  LEU  48           HB1      LEU  48  18.079 -21.083 -14.688
  327    HG   LEU  48           HG       LEU  48  16.275 -20.403 -16.272
  328   HD11  LEU  48          HD11      LEU  48  18.415 -18.500 -17.127
  329   HD12  LEU  48          HD12      LEU  48  16.669 -18.272 -17.062
  330   HD13  LEU  48          HD13      LEU  48  17.388 -19.191 -18.384
  331   HD21  LEU  48          HD21      LEU  48  17.058 -22.175 -17.416
  332   HD22  LEU  48          HD22      LEU  48  18.698 -21.852 -16.855
  333   HD23  LEU  48          HD23      LEU  48  18.103 -21.083 -18.326
  334    H    VAL  49           HN       VAL  49  16.870 -20.775 -12.617
  335    HA   VAL  49           HA       VAL  49  14.157 -21.123 -13.287
  336    HB   VAL  49           HB       VAL  49  15.764 -21.736 -10.814
  337   HG11  VAL  49          HG11      VAL  49  13.593 -23.161 -10.326
  338   HG12  VAL  49          HG12      VAL  49  12.804 -21.903 -11.278
  339   HG13  VAL  49          HG13      VAL  49  13.681 -21.478  -9.808
  340   HG21  VAL  49          HG21      VAL  49  15.647 -22.979 -13.229
  341   HG22  VAL  49          HG22      VAL  49  14.319 -23.791 -12.398
  342   HG23  VAL  49          HG23      VAL  49  15.944 -23.835 -11.715
  343    H    LEU  50           HN       LEU  50  15.248 -19.812 -10.167
  344    HA   LEU  50           HA       LEU  50  12.964 -18.581  -9.353
  345    HB2  LEU  50           HB2      LEU  50  15.840 -17.733  -9.037
  346    HB3  LEU  50           HB1      LEU  50  14.523 -16.828  -8.289
  347    HG   LEU  50           HG       LEU  50  14.538 -19.791  -7.923
  348   HD11  LEU  50          HD11      LEU  50  16.570 -17.882  -6.811
  349   HD12  LEU  50          HD12      LEU  50  16.777 -19.555  -7.328
  350   HD13  LEU  50          HD13      LEU  50  15.987 -19.198  -5.793
  351   HD21  LEU  50          HD21      LEU  50  13.517 -19.208  -5.822
  352   HD22  LEU  50          HD22      LEU  50  12.774 -18.182  -7.049
  353   HD23  LEU  50          HD23      LEU  50  14.013 -17.523  -5.982
  354    H    TRP  51           HN       TRP  51  15.147 -17.507 -11.864
  355    HA   TRP  51           HA       TRP  51  14.060 -14.864 -12.109
  356    HB2  TRP  51           HB2      TRP  51  16.305 -15.315 -12.909
  357    HB3  TRP  51           HB1      TRP  51  15.703 -16.552 -14.012
  358    HD1  TRP  51           HD1      TRP  51  15.929 -12.789 -13.548
  359    HE1  TRP  51           HE1      TRP  51  15.246 -11.628 -15.745
  360    HE3  TRP  51           HE3      TRP  51  14.224 -16.817 -16.180
  361    HZ2  TRP  51           HZ2      TRP  51  14.125 -12.316 -18.285
  362    HZ3  TRP  51           HZ3      TRP  51  13.354 -16.538 -18.485
  363    HH2  TRP  51           HH2      TRP  51  13.304 -14.294 -19.539
  364    H    THR  52           HN       THR  52  13.694 -17.860 -14.014
  365    HA   THR  52           HA       THR  52  11.712 -16.805 -15.759
  366    HB   THR  52           HB       THR  52  12.671 -19.563 -15.062
  367    HG1  THR  52           HG1      THR  52  13.811 -19.017 -16.721
  368   HG21  THR  52          HG21      THR  52  10.146 -18.809 -16.520
  369   HG22  THR  52          HG22      THR  52  10.386 -20.064 -15.303
  370   HG23  THR  52          HG23      THR  52  11.021 -20.283 -16.934
  371    H    VAL  53           HN       VAL  53  11.443 -19.081 -13.024
  372    HA   VAL  53           HA       VAL  53   8.743 -19.398 -12.844
  373    HB   VAL  53           HB       VAL  53  10.855 -19.145 -10.723
  374   HG11  VAL  53          HG11      VAL  53   8.948 -20.077  -9.206
  375   HG12  VAL  53          HG12      VAL  53   7.868 -19.329 -10.383
  376   HG13  VAL  53          HG13      VAL  53   9.024 -18.338  -9.491
  377   HG21  VAL  53          HG21      VAL  53  10.711 -21.180 -12.152
  378   HG22  VAL  53          HG22      VAL  53   9.046 -21.412 -11.621
  379   HG23  VAL  53          HG23      VAL  53  10.368 -21.536 -10.459
  380    H    PHE  54           HN       PHE  54  10.627 -16.601 -11.786
  381    HA   PHE  54           HA       PHE  54   8.513 -15.224 -10.491
  382    HB2  PHE  54           HB2      PHE  54  11.248 -14.605 -11.419
  383    HB3  PHE  54           HB1      PHE  54  10.149 -13.224 -11.372
  384    HD1  PHE  54           HD1      PHE  54  10.283 -16.275  -9.208
  385    HD2  PHE  54           HD2      PHE  54  10.712 -12.008  -9.441
  386    HE1  PHE  54           HE1      PHE  54  10.524 -16.165  -6.742
  387    HE2  PHE  54           HE2      PHE  54  10.953 -11.897  -6.975
  388    HZ   PHE  54           HZ       PHE  54  10.859 -13.975  -5.625
  389    H    ARG  55           HN       ARG  55   9.895 -14.852 -13.765
  390    HA   ARG  55           HA       ARG  55   7.871 -12.992 -14.591
  391    HB2  ARG  55           HB2      ARG  55  10.098 -14.482 -15.931
  392    HB3  ARG  55           HB1      ARG  55   8.833 -13.770 -16.932
  393    HG2  ARG  55           HG2      ARG  55   9.452 -11.616 -16.427
  394    HG3  ARG  55           HG1      ARG  55   9.958 -12.035 -14.790
  395    HD2  ARG  55           HD2      ARG  55  11.528 -13.074 -17.128
  396    HD3  ARG  55           HD1      ARG  55  11.768 -11.414 -16.590
  397    HE   ARG  55           HE       ARG  55  12.712 -13.760 -15.271
  398   HH11  ARG  55          HH21      ARG  55  11.389 -10.604 -14.762
  399   HH12  ARG  55          HH22      ARG  55  12.118 -10.398 -13.204
  400   HH21  ARG  55          HH11      ARG  55  13.667 -13.501 -13.226
  401   HH22  ARG  55          HH12      ARG  55  13.408 -12.038 -12.334
  402    H    LYS  56           HN       LYS  56   7.891 -16.285 -14.047
  403    HA   LYS  56           HA       LYS  56   5.969 -17.002 -16.106
  404    HB2  LYS  56           HB2      LYS  56   7.838 -18.502 -15.085
  405    HB3  LYS  56           HB1      LYS  56   6.706 -18.710 -13.749
  406    HG2  LYS  56           HG2      LYS  56   5.936 -20.425 -15.042
  407    HG3  LYS  56           HG1      LYS  56   5.036 -19.128 -15.830
  408    HD2  LYS  56           HD2      LYS  56   6.944 -18.849 -17.430
  409    HD3  LYS  56           HD1      LYS  56   7.711 -20.258 -16.697
  410    HE2  LYS  56           HE2      LYS  56   4.925 -20.311 -17.884
  411    HE3  LYS  56           HE1      LYS  56   6.372 -20.763 -18.786
  412    HZ1  LYS  56           HZ1      LYS  56   4.962 -22.206 -16.730
  413    HZ2  LYS  56           HZ2      LYS  56   6.644 -22.162 -16.500
  414    HZ3  LYS  56           HZ3      LYS  56   5.998 -22.782 -17.944
  415    H    LYS  57           HN       LYS  57   6.079 -16.880 -12.548
  416    HA   LYS  57           HA       LYS  57   3.285 -17.360 -12.240
  417    HB2  LYS  57           HB2      LYS  57   3.648 -17.001  -9.907
  418    HB3  LYS  57           HB1      LYS  57   5.093 -17.805 -10.514
  419    HG2  LYS  57           HG2      LYS  57   6.211 -16.124  -9.487
  420    HG3  LYS  57           HG1      LYS  57   5.743 -15.166 -10.887
  421    HD2  LYS  57           HD2      LYS  57   3.560 -14.684  -9.574
  422    HD3  LYS  57           HD1      LYS  57   4.447 -15.270  -8.167
  423    HE2  LYS  57           HE2      LYS  57   6.215 -13.599  -8.581
  424    HE3  LYS  57           HE1      LYS  57   5.328 -13.009  -9.987
  425    HZ1  LYS  57           HZ1      LYS  57   4.477 -11.598  -8.476
  426    HZ2  LYS  57           HZ2      LYS  57   4.794 -12.622  -7.158
  427    HZ3  LYS  57           HZ3      LYS  57   3.432 -12.889  -8.137
  428    H    GLY  58           HN       GLY  58   5.202 -14.544 -12.836
  429    HA2  GLY  58           HA2      GLY  58   3.239 -12.640 -11.903
  430    HA3  GLY  58           HA1      GLY  58   4.702 -12.277 -12.813
  431    H    HIS  59           HN       HIS  59   4.010 -14.268 -14.897
  432    HA   HIS  59           HA       HIS  59   2.746 -12.584 -16.740
  433    HB2  HIS  59           HB2      HIS  59   3.546 -14.176 -18.094
  434    HB3  HIS  59           HB1      HIS  59   3.832 -15.237 -16.714
  435    HD2  HIS  59           HD2      HIS  59   1.988 -17.324 -16.450
  436    HE1  HIS  59           HE1      HIS  59  -0.635 -16.107 -19.526
  437    HE2  HIS  59           HE2      HIS  59  -0.110 -17.958 -17.869
  438    H    HIS  60           HN       HIS  60   1.414 -14.422 -14.205
  439    HA   HIS  60           HA       HIS  60  -1.194 -14.790 -15.421
  440    HB2  HIS  60           HB2      HIS  60  -0.348 -16.419 -13.783
  441    HB3  HIS  60           HB1      HIS  60  -0.286 -15.154 -12.555
  442    HD2  HIS  60           HD2      HIS  60  -3.393 -15.475 -14.965
  443    HE1  HIS  60           HE1      HIS  60  -4.635 -16.449 -11.049
  444    HE2  HIS  60           HE2      HIS  60  -5.427 -16.037 -13.426
  445    H    HIS  61           HN       HIS  61   0.310 -12.101 -14.547
  446    HA   HIS  61           HA       HIS  61  -1.949 -10.898 -13.095
  447    HB2  HIS  61           HB2      HIS  61   0.882  -9.971 -13.604
  448    HB3  HIS  61           HB1      HIS  61  -0.354  -8.938 -12.885
  449    HD2  HIS  61           HD2      HIS  61  -1.630 -10.493 -10.532
  450    HE1  HIS  61           HE1      HIS  61   2.157 -12.074  -9.544
  451    HE2  HIS  61           HE2      HIS  61  -0.207 -11.691  -8.700
  452    H    HIS  62           HN       HIS  62  -1.954  -8.349 -13.815
  453    HA   HIS  62           HA       HIS  62  -3.059  -8.423 -16.488
  454    HB2  HIS  62           HB2      HIS  62  -3.034  -6.519 -14.214
  455    HB3  HIS  62           HB1      HIS  62  -3.185  -5.815 -15.823
  456    HD2  HIS  62           HD2      HIS  62  -5.303  -7.502 -17.360
  457    HE1  HIS  62           HE1      HIS  62  -7.604  -7.742 -13.829
  458    HE2  HIS  62           HE2      HIS  62  -7.650  -8.041 -16.350
  459    H    HIS  63           HN       HIS  63  -1.000  -5.872 -15.141
  460    HA   HIS  63           HA       HIS  63   0.393  -5.698 -17.713
  461    HB2  HIS  63           HB2      HIS  63   0.693  -3.871 -15.325
  462    HB3  HIS  63           HB1      HIS  63   1.127  -3.539 -17.003
  463    HD2  HIS  63           HD2      HIS  63  -1.249  -3.391 -18.771
  464    HE1  HIS  63           HE1      HIS  63  -3.834  -2.426 -15.575
  465    HE2  HIS  63           HE2      HIS  63  -3.610  -2.496 -18.104
  466    H    HIS  64           HN       HIS  64   1.012  -7.987 -16.229
  467    HA   HIS  64           HA       HIS  64   2.741  -9.122 -15.185
  468    HB2  HIS  64           HB2      HIS  64   4.824  -8.917 -16.366
  469    HB3  HIS  64           HB1      HIS  64   3.529  -8.683 -17.539
  470    HD2  HIS  64           HD2      HIS  64   3.897  -6.389 -19.021
  471    HE1  HIS  64           HE1      HIS  64   6.306  -4.269 -16.277
  472    HE2  HIS  64           HE2      HIS  64   5.252  -4.199 -18.586
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  31.566   8.817 -25.604
    2    H2   MET   1           HT2      MET   1  31.470   9.762 -24.196
    3    H3   MET   1           HT3      MET   1  30.534   8.352 -24.342
    4    HA   MET   1           HA       MET   1  32.284   6.951 -23.966
    5    HB2  MET   1           HB2      MET   1  34.689   7.977 -24.162
    6    HB3  MET   1           HB1      MET   1  33.820   7.536 -25.632
    7    HG2  MET   1           HG2      MET   1  33.378   9.742 -26.201
    8    HG3  MET   1           HG1      MET   1  33.454  10.296 -24.529
    9    HE1  MET   1           HE1      MET   1  36.648  10.263 -27.665
   10    HE2  MET   1           HE2      MET   1  34.947  10.721 -27.710
   11    HE3  MET   1           HE3      MET   1  35.392   9.019 -27.614
   12    H    GLU   2           HN       GLU   2  32.965   6.564 -21.912
   13    HA   GLU   2           HA       GLU   2  32.545   8.638 -19.940
   14    HB2  GLU   2           HB2      GLU   2  32.269   5.909 -19.918
   15    HB3  GLU   2           HB1      GLU   2  33.782   6.130 -19.038
   16    HG2  GLU   2           HG2      GLU   2  32.067   6.262 -17.389
   17    HG3  GLU   2           HG1      GLU   2  32.564   7.927 -17.686
   18    H    GLU   3           HN       GLU   3  34.435   7.994 -18.016
   19    HA   GLU   3           HA       GLU   3  37.108   8.028 -18.962
   20    HB2  GLU   3           HB2      GLU   3  36.136  10.352 -19.630
   21    HB3  GLU   3           HB1      GLU   3  36.280  10.716 -17.910
   22    HG2  GLU   3           HG2      GLU   3  38.670  10.090 -17.982
   23    HG3  GLU   3           HG1      GLU   3  38.525   9.753 -19.706
   24    H    GLY   4           HN       GLY   4  38.631   8.086 -17.262
   25    HA2  GLY   4           HA2      GLY   4  38.489   8.821 -14.684
   26    HA3  GLY   4           HA1      GLY   4  37.512   7.356 -14.678
   27    H    GLY   5           HN       GLY   5  40.455   8.385 -13.911
   28    HA2  GLY   5           HA2      GLY   5  41.640   5.857 -13.713
   29    HA3  GLY   5           HA1      GLY   5  42.253   6.611 -15.181
   30    H    ASP   6           HN       ASP   6  41.507   7.764 -11.883
   31    HA   ASP   6           HA       ASP   6  44.303   8.554 -11.532
   32    HB2  ASP   6           HB2      ASP   6  41.993  10.501 -11.344
   33    HB3  ASP   6           HB1      ASP   6  43.648  10.841 -10.840
   34    H    PHE   7           HN       PHE   7  42.988   6.478 -10.275
   35    HA   PHE   7           HA       PHE   7  42.218   7.499  -7.627
   36    HB2  PHE   7           HB2      PHE   7  42.060   4.697  -8.763
   37    HB3  PHE   7           HB1      PHE   7  41.436   5.213  -7.197
   38    HD1  PHE   7           HD1      PHE   7  39.643   7.017  -7.123
   39    HD2  PHE   7           HD2      PHE   7  40.801   5.025 -10.748
   40    HE1  PHE   7           HE1      PHE   7  37.535   7.754  -8.203
   41    HE2  PHE   7           HE2      PHE   7  38.694   5.762 -11.827
   42    HZ   PHE   7           HZ       PHE   7  37.060   7.126 -10.554
   43    H    ASP   8           HN       ASP   8  42.915   5.476  -5.981
   44    HA   ASP   8           HA       ASP   8  45.731   5.911  -5.630
   45    HB2  ASP   8           HB2      ASP   8  43.842   4.053  -4.166
   46    HB3  ASP   8           HB1      ASP   8  45.469   4.484  -3.644
   47    H    ASN   9           HN       ASN   9  44.535   4.271  -7.970
   48    HA   ASN   9           HA       ASN   9  45.265   1.593  -7.787
   49    HB2  ASN   9           HB2      ASN   9  45.526   1.685 -10.255
   50    HB3  ASN   9           HB1      ASN   9  44.043   2.459  -9.702
   51   HD21  ASN   9          HD21      ASN   9  44.846   3.300 -12.163
   52   HD22  ASN   9          HD22      ASN   9  45.571   4.833 -12.088
   53    H    TYR  10           HN       TYR  10  47.146   0.691  -9.233
   54    HA   TYR  10           HA       TYR  10  49.404   0.199  -9.092
   55    HB2  TYR  10           HB2      TYR  10  49.037   2.082 -10.878
   56    HB3  TYR  10           HB1      TYR  10  49.887   3.094  -9.710
   57    HD1  TYR  10           HD1      TYR  10  50.147  -0.162 -11.536
   58    HD2  TYR  10           HD2      TYR  10  52.235   3.040  -9.575
   59    HE1  TYR  10           HE1      TYR  10  52.311  -1.116 -12.282
   60    HE2  TYR  10           HE2      TYR  10  54.399   2.086 -10.322
   61    HH   TYR  10           HH       TYR  10  55.157  -0.443 -10.993
   62    H    TYR  11           HN       TYR  11  48.207   1.009  -6.592
   63    HA   TYR  11           HA       TYR  11  50.546   1.328  -5.028
   64    HB2  TYR  11           HB2      TYR  11  50.063   3.710  -6.001
   65    HB3  TYR  11           HB1      TYR  11  48.772   3.738  -4.801
   66    HD1  TYR  11           HD2      TYR  11  52.432   3.046  -5.168
   67    HD2  TYR  11           HD1      TYR  11  49.247   4.285  -2.567
   68    HE1  TYR  11           HE2      TYR  11  54.086   3.581  -3.399
   69    HE2  TYR  11           HE1      TYR  11  50.900   4.820  -0.797
   70    HH   TYR  11           HH       TYR  11  53.772   5.454  -1.097
   71    H    GLY  12           HN       GLY  12  48.344  -0.422  -5.110
   72    HA2  GLY  12           HA2      GLY  12  47.729  -1.047  -2.594
   73    HA3  GLY  12           HA1      GLY  12  46.601   0.276  -2.876
   74    H    ALA  13           HN       ALA  13  47.591  -1.886  -5.430
   75    HA   ALA  13           HA       ALA  13  44.943  -3.204  -5.346
   76    HB1  ALA  13           HB1      ALA  13  45.416  -3.226  -7.976
   77    HB2  ALA  13           HB2      ALA  13  46.300  -1.758  -7.565
   78    HB3  ALA  13           HB3      ALA  13  44.583  -1.887  -7.188
   79    H    ASP  14           HN       ASP  14  48.366  -3.408  -5.979
   80    HA   ASP  14           HA       ASP  14  48.155  -6.221  -6.779
   81    HB2  ASP  14           HB2      ASP  14  50.362  -4.184  -6.795
   82    HB3  ASP  14           HB1      ASP  14  50.735  -5.902  -6.908
   83    H    ASN  15           HN       ASN  15  49.111  -4.204  -4.095
   84    HA   ASN  15           HA       ASN  15  50.716  -5.878  -2.598
   85    HB2  ASN  15           HB2      ASN  15  48.609  -3.883  -1.798
   86    HB3  ASN  15           HB1      ASN  15  49.532  -4.774  -0.590
   87   HD21  ASN  15          HD21      ASN  15  49.647  -2.123  -2.836
   88   HD22  ASN  15          HD22      ASN  15  51.266  -1.695  -2.561
   89    H    GLN  16           HN       GLN  16  47.293  -6.112  -3.231
   90    HA   GLN  16           HA       GLN  16  46.931  -8.209  -1.224
   91    HB2  GLN  16           HB2      GLN  16  44.560  -8.189  -2.119
   92    HB3  GLN  16           HB1      GLN  16  45.102  -6.678  -1.389
   93    HG2  GLN  16           HG2      GLN  16  45.758  -6.817  -4.228
   94    HG3  GLN  16           HG1      GLN  16  44.026  -6.964  -3.941
   95   HE21  GLN  16          HE21      GLN  16  46.756  -4.962  -2.659
   96   HE22  GLN  16          HE22      GLN  16  45.871  -3.513  -2.661
   97    H    SER  17           HN       SER  17  47.399  -7.823  -4.651
   98    HA   SER  17           HA       SER  17  46.490 -10.440  -5.396
   99    HB2  SER  17           HB2      SER  17  47.364  -9.930  -7.569
  100    HB3  SER  17           HB1      SER  17  46.643  -8.450  -6.943
  101    HG   SER  17           HG       SER  17  49.297  -9.102  -7.420
  102    H    GLU  18           HN       GLU  18  49.572  -9.010  -4.477
  103    HA   GLU  18           HA       GLU  18  51.290 -11.082  -5.266
  104    HB2  GLU  18           HB2      GLU  18  51.394  -8.855  -3.304
  105    HB3  GLU  18           HB1      GLU  18  52.542 -10.173  -3.066
  106    HG2  GLU  18           HG2      GLU  18  53.366  -9.928  -5.343
  107    HG3  GLU  18           HG1      GLU  18  52.147  -8.701  -5.684
  108    H    CYS  19           HN       CYS  19  50.555 -10.459  -1.853
  109    HA   CYS  19           HA       CYS  19  51.215 -12.880  -0.794
  110    HB2  CYS  19           HB2      CYS  19  48.809 -11.230   0.014
  111    HB3  CYS  19           HB1      CYS  19  49.644 -12.413   1.021
  112    HG   CYS  19           HG       CYS  19  51.534 -10.808   1.394
  113    H    GLU  20           HN       GLU  20  48.410 -12.127  -2.719
  114    HA   GLU  20           HA       GLU  20  47.084 -14.646  -2.097
  115    HB2  GLU  20           HB2      GLU  20  45.791 -12.553  -2.504
  116    HB3  GLU  20           HB1      GLU  20  46.370 -12.558  -4.170
  117    HG2  GLU  20           HG2      GLU  20  44.724 -13.976  -4.737
  118    HG3  GLU  20           HG1      GLU  20  45.359 -15.163  -3.598
  119    H    TYR  21           HN       TYR  21  49.120 -13.262  -4.572
  120    HA   TYR  21           HA       TYR  21  48.623 -15.185  -6.607
  121    HB2  TYR  21           HB2      TYR  21  49.644 -13.193  -7.332
  122    HB3  TYR  21           HB1      TYR  21  50.860 -13.248  -6.056
  123    HD1  TYR  21           HD2      TYR  21  52.720 -14.891  -6.156
  124    HD2  TYR  21           HD1      TYR  21  49.896 -14.469  -9.366
  125    HE1  TYR  21           HE2      TYR  21  54.246 -16.134  -7.664
  126    HE2  TYR  21           HE1      TYR  21  51.422 -15.713 -10.873
  127    HH   TYR  21           HH       TYR  21  53.636 -17.635 -10.066
  128    H    THR  22           HN       THR  22  50.843 -15.045  -3.878
  129    HA   THR  22           HA       THR  22  52.322 -17.389  -4.686
  130    HB   THR  22           HB       THR  22  53.066 -15.392  -3.154
  131    HG1  THR  22           HG1      THR  22  53.640 -18.074  -2.439
  132   HG21  THR  22          HG21      THR  22  52.143 -17.294  -1.012
  133   HG22  THR  22          HG22      THR  22  51.089 -15.996  -1.574
  134   HG23  THR  22          HG23      THR  22  52.653 -15.614  -0.852
  135    H    ASP  23           HN       ASP  23  49.337 -16.815  -3.170
  136    HA   ASP  23           HA       ASP  23  49.342 -19.417  -1.799
  137    HB2  ASP  23           HB2      ASP  23  48.255 -16.943  -1.124
  138    HB3  ASP  23           HB1      ASP  23  46.867 -17.898  -1.644
  139    H    TRP  24           HN       TRP  24  47.293 -17.555  -4.052
  140    HA   TRP  24           HA       TRP  24  45.421 -19.426  -4.736
  141    HB2  TRP  24           HB2      TRP  24  44.987 -17.540  -5.924
  142    HB3  TRP  24           HB1      TRP  24  46.696 -17.160  -6.135
  143    HD1  TRP  24           HD1      TRP  24  43.946 -19.421  -7.583
  144    HE1  TRP  24           HE1      TRP  24  44.599 -20.055  -9.996
  145    HE3  TRP  24           HE3      TRP  24  48.607 -17.347  -7.811
  146    HZ2  TRP  24           HZ2      TRP  24  46.807 -19.727 -11.784
  147    HZ3  TRP  24           HZ3      TRP  24  49.961 -17.522  -9.879
  148    HH2  TRP  24           HH2      TRP  24  49.069 -18.709 -11.863
  149    H    LYS  25           HN       LYS  25  48.709 -19.147  -6.056
  150    HA   LYS  25           HA       LYS  25  48.667 -21.068  -8.022
  151    HB2  LYS  25           HB2      LYS  25  50.621 -19.605  -7.311
  152    HB3  LYS  25           HB1      LYS  25  50.941 -20.801  -6.053
  153    HG2  LYS  25           HG2      LYS  25  51.184 -22.556  -7.740
  154    HG3  LYS  25           HG1      LYS  25  50.781 -21.412  -9.020
  155    HD2  LYS  25           HD2      LYS  25  52.766 -20.029  -8.287
  156    HD3  LYS  25           HD1      LYS  25  53.215 -21.359  -7.218
  157    HE2  LYS  25           HE2      LYS  25  53.082 -22.852  -9.315
  158    HE3  LYS  25           HE1      LYS  25  53.089 -21.347 -10.234
  159    HZ1  LYS  25           HZ1      LYS  25  55.133 -22.029  -8.199
  160    HZ2  LYS  25           HZ2      LYS  25  55.172 -20.750  -9.315
  161    HZ3  LYS  25           HZ3      LYS  25  55.320 -22.355  -9.852
  162    H    SER  26           HN       SER  26  48.629 -21.514  -4.554
  163    HA   SER  26           HA       SER  26  48.827 -24.435  -4.891
  164    HB2  SER  26           HB2      SER  26  49.068 -22.657  -2.460
  165    HB3  SER  26           HB1      SER  26  49.024 -24.416  -2.376
  166    HG   SER  26           HG       SER  26  51.164 -23.443  -2.498
  167    H    SER  27           HN       SER  27  46.788 -21.905  -3.461
  168    HA   SER  27           HA       SER  27  44.694 -23.866  -2.881
  169    HB2  SER  27           HB2      SER  27  44.195 -20.981  -2.452
  170    HB3  SER  27           HB1      SER  27  43.859 -22.354  -1.400
  171    HG   SER  27           HG       SER  27  45.926 -20.668  -1.353
  172    H    GLY  28           HN       GLY  28  45.449 -23.227  -5.646
  173    HA2  GLY  28           HA2      GLY  28  42.824 -22.234  -6.588
  174    HA3  GLY  28           HA1      GLY  28  44.326 -21.749  -7.368
  175    H    ALA  29           HN       ALA  29  44.005 -24.968  -6.117
  176    HA   ALA  29           HA       ALA  29  43.478 -26.025  -8.822
  177    HB1  ALA  29           HB1      ALA  29  45.770 -26.692  -6.986
  178    HB2  ALA  29           HB2      ALA  29  45.816 -26.262  -8.697
  179    HB3  ALA  29           HB3      ALA  29  45.202 -27.839  -8.200
  180    H    LEU  30           HN       LEU  30  42.068 -25.747  -6.083
  181    HA   LEU  30           HA       LEU  30  40.947 -28.446  -6.133
  182    HB2  LEU  30           HB2      LEU  30  41.016 -28.404  -3.550
  183    HB3  LEU  30           HB1      LEU  30  42.496 -28.831  -4.410
  184    HG   LEU  30           HG       LEU  30  42.157 -25.938  -3.969
  185   HD11  LEU  30          HD11      LEU  30  42.815 -26.100  -1.567
  186   HD12  LEU  30          HD12      LEU  30  42.533 -27.839  -1.635
  187   HD13  LEU  30          HD13      LEU  30  41.191 -26.719  -1.866
  188   HD21  LEU  30          HD21      LEU  30  44.379 -27.914  -3.354
  189   HD22  LEU  30          HD22      LEU  30  44.532 -26.158  -3.348
  190   HD23  LEU  30          HD23      LEU  30  44.211 -27.009  -4.858
  191    H    ILE  31           HN       ILE  31  40.821 -25.123  -4.950
  192    HA   ILE  31           HA       ILE  31  38.143 -25.299  -3.965
  193    HB   ILE  31           HB       ILE  31  39.359 -22.706  -4.830
  194   HG12  ILE  31          HG12      ILE  31  40.299 -24.523  -2.608
  195   HG13  ILE  31          HG11      ILE  31  41.270 -23.681  -3.817
  196   HG21  ILE  31          HG21      ILE  31  38.049 -21.826  -3.129
  197   HG22  ILE  31          HG22      ILE  31  38.095 -23.315  -2.184
  198   HG23  ILE  31          HG23      ILE  31  37.062 -23.206  -3.609
  199   HD11  ILE  31          HD11      ILE  31  41.592 -22.290  -1.988
  200   HD12  ILE  31          HD12      ILE  31  39.985 -22.605  -1.335
  201   HD13  ILE  31          HD13      ILE  31  40.180 -21.529  -2.719
  202    HA   PRO  32           HA       PRO  32  37.265 -23.168  -8.291
  203    HB2  PRO  32           HB2      PRO  32  39.021 -24.836  -9.992
  204    HB3  PRO  32           HB1      PRO  32  38.724 -23.090 -10.049
  205    HG2  PRO  32           HG2      PRO  32  41.032 -24.120  -9.165
  206    HG3  PRO  32           HG1      PRO  32  40.343 -22.628  -8.504
  207    HD2  PRO  32           HD2      PRO  32  40.379 -25.375  -7.319
  208    HD3  PRO  32           HD1      PRO  32  40.509 -23.797  -6.513
  209    H    ALA  33           HN       ALA  33  38.140 -26.557  -7.876
  210    HA   ALA  33           HA       ALA  33  36.409 -27.744  -9.721
  211    HB1  ALA  33           HB1      ALA  33  36.619 -29.759  -8.398
  212    HB2  ALA  33           HB2      ALA  33  37.136 -28.829  -6.991
  213    HB3  ALA  33           HB3      ALA  33  38.176 -28.932  -8.411
  214    H    ILE  34           HN       ILE  34  35.809 -27.592  -6.206
  215    HA   ILE  34           HA       ILE  34  33.118 -28.245  -6.271
  216    HB   ILE  34           HB       ILE  34  34.819 -26.673  -4.373
  217   HG12  ILE  34          HG12      ILE  34  34.531 -29.293  -4.662
  218   HG13  ILE  34          HG11      ILE  34  34.660 -28.579  -3.056
  219   HG21  ILE  34          HG21      ILE  34  31.807 -26.862  -4.368
  220   HG22  ILE  34          HG22      ILE  34  32.823 -25.445  -4.095
  221   HG23  ILE  34          HG23      ILE  34  32.713 -26.700  -2.862
  222   HD11  ILE  34          HD11      ILE  34  32.338 -28.756  -2.660
  223   HD12  ILE  34          HD12      ILE  34  32.738 -30.267  -3.474
  224   HD13  ILE  34          HD13      ILE  34  31.970 -28.960  -4.372
  225    H    TYR  35           HN       TYR  35  34.656 -25.085  -6.662
  226    HA   TYR  35           HA       TYR  35  32.318 -23.513  -6.640
  227    HB2  TYR  35           HB2      TYR  35  35.124 -23.162  -7.312
  228    HB3  TYR  35           HB1      TYR  35  34.074 -22.259  -8.404
  229    HD1  TYR  35           HD2      TYR  35  32.550 -20.527  -7.555
  230    HD2  TYR  35           HD1      TYR  35  35.200 -22.658  -4.930
  231    HE1  TYR  35           HE2      TYR  35  32.151 -18.839  -5.783
  232    HE2  TYR  35           HE1      TYR  35  34.802 -20.970  -3.158
  233    HH   TYR  35           HH       TYR  35  32.386 -19.054  -2.956
  234    H    MET  36           HN       MET  36  34.231 -24.562  -9.471
  235    HA   MET  36           HA       MET  36  32.412 -23.785 -11.434
  236    HB2  MET  36           HB2      MET  36  34.682 -25.681 -11.276
  237    HB3  MET  36           HB1      MET  36  33.543 -25.947 -12.597
  238    HG2  MET  36           HG2      MET  36  35.470 -24.367 -13.123
  239    HG3  MET  36           HG1      MET  36  33.857 -23.727 -13.437
  240    HE1  MET  36           HE1      MET  36  32.896 -21.775 -12.551
  241    HE2  MET  36           HE2      MET  36  34.356 -21.237 -13.375
  242    HE3  MET  36           HE3      MET  36  33.902 -20.508 -11.836
  243    H    LEU  37           HN       LEU  37  32.833 -27.047 -10.039
  244    HA   LEU  37           HA       LEU  37  30.790 -28.374 -11.314
  245    HB2  LEU  37           HB2      LEU  37  32.495 -29.193  -9.514
  246    HB3  LEU  37           HB1      LEU  37  31.212 -28.791  -8.372
  247    HG   LEU  37           HG       LEU  37  29.754 -30.152 -10.178
  248   HD11  LEU  37          HD11      LEU  37  32.399 -31.618 -10.198
  249   HD12  LEU  37          HD12      LEU  37  31.925 -30.523 -11.497
  250   HD13  LEU  37          HD13      LEU  37  30.959 -31.958 -11.157
  251   HD21  LEU  37          HD21      LEU  37  31.379 -31.088  -7.821
  252   HD22  LEU  37          HD22      LEU  37  30.368 -32.227  -8.708
  253   HD23  LEU  37          HD23      LEU  37  29.639 -30.822  -7.929
  254    H    VAL  38           HN       VAL  38  30.585 -26.142  -8.599
  255    HA   VAL  38           HA       VAL  38  27.702 -26.554  -8.352
  256    HB   VAL  38           HB       VAL  38  29.687 -24.855  -6.835
  257   HG11  VAL  38          HG11      VAL  38  27.749 -23.529  -6.745
  258   HG12  VAL  38          HG12      VAL  38  27.592 -24.546  -5.313
  259   HG13  VAL  38          HG13      VAL  38  26.676 -24.928  -6.772
  260   HG21  VAL  38          HG21      VAL  38  29.346 -26.406  -5.075
  261   HG22  VAL  38          HG22      VAL  38  29.458 -27.413  -6.518
  262   HG23  VAL  38          HG23      VAL  38  27.880 -27.050  -5.816
  263    H    PHE  39           HN       PHE  39  29.790 -24.695 -10.205
  264    HA   PHE  39           HA       PHE  39  28.116 -22.323 -10.346
  265    HB2  PHE  39           HB2      PHE  39  30.686 -22.419 -10.607
  266    HB3  PHE  39           HB1      PHE  39  30.355 -22.993 -12.242
  267    HD1  PHE  39           HD2      PHE  39  29.936 -20.170  -9.886
  268    HD2  PHE  39           HD1      PHE  39  29.418 -21.535 -13.925
  269    HE1  PHE  39           HE2      PHE  39  29.510 -17.840 -10.618
  270    HE2  PHE  39           HE1      PHE  39  28.992 -19.204 -14.658
  271    HZ   PHE  39           HZ       PHE  39  29.038 -17.356 -13.005
  272    H    LEU  40           HN       LEU  40  29.153 -24.859 -12.641
  273    HA   LEU  40           HA       LEU  40  27.240 -24.062 -14.624
  274    HB2  LEU  40           HB2      LEU  40  27.900 -26.315 -15.654
  275    HB3  LEU  40           HB1      LEU  40  29.179 -25.116 -15.469
  276    HG   LEU  40           HG       LEU  40  28.898 -26.749 -13.072
  277   HD11  LEU  40          HD11      LEU  40  29.580 -28.151 -15.674
  278   HD12  LEU  40          HD12      LEU  40  28.144 -28.451 -14.694
  279   HD13  LEU  40          HD13      LEU  40  29.743 -28.845 -14.061
  280   HD21  LEU  40          HD21      LEU  40  31.206 -26.501 -15.019
  281   HD22  LEU  40          HD22      LEU  40  31.289 -26.895 -13.303
  282   HD23  LEU  40          HD23      LEU  40  30.830 -25.270 -13.813
  283    H    LEU  41           HN       LEU  41  26.842 -25.571 -11.714
  284    HA   LEU  41           HA       LEU  41  24.407 -26.973 -12.647
  285    HB2  LEU  41           HB2      LEU  41  26.195 -27.755 -10.333
  286    HB3  LEU  41           HB1      LEU  41  24.713 -28.578 -10.816
  287    HG   LEU  41           HG       LEU  41  27.170 -28.248 -12.566
  288   HD11  LEU  41          HD11      LEU  41  26.111 -30.807 -11.365
  289   HD12  LEU  41          HD12      LEU  41  27.306 -29.815 -10.528
  290   HD13  LEU  41          HD13      LEU  41  27.687 -30.515 -12.101
  291   HD21  LEU  41          HD21      LEU  41  25.445 -28.496 -14.101
  292   HD22  LEU  41          HD22      LEU  41  24.429 -29.395 -12.974
  293   HD23  LEU  41          HD23      LEU  41  25.794 -30.189 -13.756
  294    H    GLY  42           HN       GLY  42  25.586 -24.389 -10.968
  295    HA2  GLY  42           HA2      GLY  42  23.101 -24.180  -9.385
  296    HA3  GLY  42           HA1      GLY  42  24.656 -23.824  -8.637
  297    H    THR  43           HN       THR  43  24.833 -22.951 -11.836
  298    HA   THR  43           HA       THR  43  23.622 -20.314 -11.541
  299    HB   THR  43           HB       THR  43  26.546 -20.440 -12.238
  300    HG1  THR  43           HG1      THR  43  25.339 -20.761  -9.798
  301   HG21  THR  43          HG21      THR  43  26.441 -18.158 -12.135
  302   HG22  THR  43          HG22      THR  43  25.263 -18.169 -10.823
  303   HG23  THR  43          HG23      THR  43  24.737 -18.450 -12.483
  304    H    THR  44           HN       THR  44  23.376 -22.725 -13.267
  305    HA   THR  44           HA       THR  44  23.768 -21.374 -15.867
  306    HB   THR  44           HB       THR  44  24.441 -24.191 -15.070
  307    HG1  THR  44           HG1      THR  44  25.678 -22.300 -16.780
  308   HG21  THR  44          HG21      THR  44  23.041 -24.676 -16.891
  309   HG22  THR  44          HG22      THR  44  24.627 -24.520 -17.645
  310   HG23  THR  44          HG23      THR  44  23.473 -23.190 -17.737
  311    H    GLY  45           HN       GLY  45  22.040 -23.935 -14.112
  312    HA2  GLY  45           HA2      GLY  45  19.666 -23.396 -15.800
  313    HA3  GLY  45           HA1      GLY  45  20.080 -25.003 -15.212
  314    H    ASN  46           HN       ASN  46  20.903 -22.791 -12.876
  315    HA   ASN  46           HA       ASN  46  18.429 -23.353 -11.375
  316    HB2  ASN  46           HB2      ASN  46  21.277 -22.859 -10.594
  317    HB3  ASN  46           HB1      ASN  46  19.991 -22.495  -9.445
  318   HD21  ASN  46          HD21      ASN  46  21.738 -25.088 -11.031
  319   HD22  ASN  46          HD22      ASN  46  20.957 -26.362 -10.225
  320    H    GLY  47           HN       GLY  47  20.783 -20.735 -11.945
  321    HA2  GLY  47           HA2      GLY  47  19.217 -18.702 -10.717
  322    HA3  GLY  47           HA1      GLY  47  20.572 -18.444 -11.813
  323    H    LEU  48           HN       LEU  48  19.774 -19.534 -14.144
  324    HA   LEU  48           HA       LEU  48  18.155 -17.605 -15.316
  325    HB2  LEU  48           HB2      LEU  48  19.671 -19.176 -16.539
  326    HB3  LEU  48           HB1      LEU  48  18.499 -20.461 -16.264
  327    HG   LEU  48           HG       LEU  48  16.775 -19.111 -17.458
  328   HD11  LEU  48          HD11      LEU  48  18.004 -17.269 -18.961
  329   HD12  LEU  48          HD12      LEU  48  19.053 -17.177 -17.547
  330   HD13  LEU  48          HD13      LEU  48  17.324 -16.871 -17.384
  331   HD21  LEU  48          HD21      LEU  48  19.332 -19.988 -18.753
  332   HD22  LEU  48          HD22      LEU  48  18.114 -19.184 -19.743
  333   HD23  LEU  48          HD23      LEU  48  17.714 -20.677 -18.893
  334    H    VAL  49           HN       VAL  49  17.269 -20.877 -14.224
  335    HA   VAL  49           HA       VAL  49  14.562 -20.787 -14.968
  336    HB   VAL  49           HB       VAL  49  16.055 -22.315 -12.843
  337   HG11  VAL  49          HG11      VAL  49  13.844 -23.684 -12.808
  338   HG12  VAL  49          HG12      VAL  49  13.099 -22.211 -13.427
  339   HG13  VAL  49          HG13      VAL  49  13.915 -22.196 -11.864
  340   HG21  VAL  49          HG21      VAL  49  15.529 -24.201 -14.363
  341   HG22  VAL  49          HG22      VAL  49  16.426 -22.934 -15.200
  342   HG23  VAL  49          HG23      VAL  49  14.686 -23.088 -15.440
  343    H    LEU  50           HN       LEU  50  15.705 -20.620 -11.597
  344    HA   LEU  50           HA       LEU  50  13.474 -19.669 -10.373
  345    HB2  LEU  50           HB2      LEU  50  16.380 -19.066  -9.885
  346    HB3  LEU  50           HB1      LEU  50  15.127 -18.351  -8.871
  347    HG   LEU  50           HG       LEU  50  14.963 -21.284  -9.389
  348   HD11  LEU  50          HD11      LEU  50  17.224 -21.350  -8.824
  349   HD12  LEU  50          HD12      LEU  50  16.470 -21.444  -7.233
  350   HD13  LEU  50          HD13      LEU  50  17.118 -19.910  -7.813
  351   HD21  LEU  50          HD21      LEU  50  14.112 -21.257  -7.085
  352   HD22  LEU  50          HD22      LEU  50  13.272 -20.045  -8.051
  353   HD23  LEU  50          HD23      LEU  50  14.540 -19.553  -6.931
  354    H    TRP  51           HN       TRP  51  15.647 -17.872 -12.448
  355    HA   TRP  51           HA       TRP  51  14.523 -15.292 -11.812
  356    HB2  TRP  51           HB2      TRP  51  16.811 -15.378 -12.570
  357    HB3  TRP  51           HB1      TRP  51  16.341 -16.232 -14.040
  358    HD1  TRP  51           HD1      TRP  51  16.190 -12.795 -12.383
  359    HE1  TRP  51           HE1      TRP  51  15.625 -11.033 -14.179
  360    HE3  TRP  51           HE3      TRP  51  15.203 -15.859 -16.347
  361    HZ2  TRP  51           HZ2      TRP  51  14.856 -10.937 -16.932
  362    HZ3  TRP  51           HZ3      TRP  51  14.558 -14.908 -18.542
  363    HH2  TRP  51           HH2      TRP  51  14.383 -12.452 -18.839
  364    H    THR  52           HN       THR  52  14.331 -17.519 -14.589
  365    HA   THR  52           HA       THR  52  12.521 -15.987 -16.114
  366    HB   THR  52           HB       THR  52  13.011 -18.973 -16.035
  367    HG1  THR  52           HG1      THR  52  13.931 -16.817 -17.617
  368   HG21  THR  52          HG21      THR  52  11.053 -19.050 -17.190
  369   HG22  THR  52          HG22      THR  52  12.024 -18.420 -18.520
  370   HG23  THR  52          HG23      THR  52  11.071 -17.318 -17.525
  371    H    VAL  53           HN       VAL  53  11.991 -18.584 -13.748
  372    HA   VAL  53           HA       VAL  53   9.179 -18.680 -13.995
  373    HB   VAL  53           HB       VAL  53  11.028 -19.437 -11.726
  374   HG11  VAL  53          HG11      VAL  53   8.036 -19.705 -12.044
  375   HG12  VAL  53          HG12      VAL  53   8.934 -19.060 -10.671
  376   HG13  VAL  53          HG13      VAL  53   8.958 -20.790 -11.006
  377   HG21  VAL  53          HG21      VAL  53  10.948 -20.630 -14.064
  378   HG22  VAL  53          HG22      VAL  53   9.423 -21.287 -13.474
  379   HG23  VAL  53          HG23      VAL  53  10.919 -21.610 -12.597
  380    H    PHE  54           HN       PHE  54  11.279 -16.983 -11.671
  381    HA   PHE  54           HA       PHE  54   9.381 -15.807 -10.056
  382    HB2  PHE  54           HB2      PHE  54  12.118 -15.055 -10.939
  383    HB3  PHE  54           HB1      PHE  54  11.147 -13.791 -10.183
  384    HD1  PHE  54           HD1      PHE  54  11.131 -17.472  -9.549
  385    HD2  PHE  54           HD2      PHE  54  12.041 -13.567  -8.009
  386    HE1  PHE  54           HE1      PHE  54  11.580 -18.457  -7.318
  387    HE2  PHE  54           HE2      PHE  54  12.488 -14.552  -5.777
  388    HZ   PHE  54           HZ       PHE  54  12.257 -16.997  -5.431
  389    H    ARG  55           HN       ARG  55   9.771 -15.376 -13.390
  390    HA   ARG  55           HA       ARG  55   8.360 -12.784 -13.358
  391    HB2  ARG  55           HB2      ARG  55   9.902 -14.201 -15.539
  392    HB3  ARG  55           HB1      ARG  55   8.987 -12.713 -15.786
  393    HG2  ARG  55           HG2      ARG  55  10.343 -11.654 -13.952
  394    HG3  ARG  55           HG1      ARG  55  11.336 -13.112 -13.912
  395    HD2  ARG  55           HD2      ARG  55  11.110 -11.032 -16.060
  396    HD3  ARG  55           HD1      ARG  55  12.554 -11.779 -15.382
  397    HE   ARG  55           HE       ARG  55  11.347 -13.870 -16.603
  398   HH11  ARG  55          HH21      ARG  55  12.078 -10.634 -17.587
  399   HH12  ARG  55          HH22      ARG  55  12.270 -11.040 -19.260
  400   HH21  ARG  55          HH11      ARG  55  11.596 -14.408 -18.795
  401   HH22  ARG  55          HH12      ARG  55  11.996 -13.176 -19.944
  402    H    LYS  56           HN       LYS  56   7.974 -16.140 -14.029
  403    HA   LYS  56           HA       LYS  56   5.528 -15.651 -15.587
  404    HB2  LYS  56           HB2      LYS  56   5.879 -17.648 -16.592
  405    HB3  LYS  56           HB1      LYS  56   7.519 -17.477 -15.973
  406    HG2  LYS  56           HG2      LYS  56   6.739 -18.692 -13.876
  407    HG3  LYS  56           HG1      LYS  56   5.237 -19.048 -14.738
  408    HD2  LYS  56           HD2      LYS  56   7.256 -19.729 -16.549
  409    HD3  LYS  56           HD1      LYS  56   7.839 -20.318 -14.991
  410    HE2  LYS  56           HE2      LYS  56   6.461 -22.026 -16.119
  411    HE3  LYS  56           HE1      LYS  56   5.698 -21.485 -14.624
  412    HZ1  LYS  56           HZ1      LYS  56   4.818 -19.762 -16.585
  413    HZ2  LYS  56           HZ2      LYS  56   3.924 -20.994 -15.831
  414    HZ3  LYS  56           HZ3      LYS  56   4.741 -21.304 -17.288
  415    H    LYS  57           HN       LYS  57   6.645 -16.640 -12.473
  416    HA   LYS  57           HA       LYS  57   3.946 -17.542 -11.710
  417    HB2  LYS  57           HB2      LYS  57   5.770 -19.095 -11.188
  418    HB3  LYS  57           HB1      LYS  57   6.594 -17.835 -10.272
  419    HG2  LYS  57           HG2      LYS  57   3.778 -18.277  -9.493
  420    HG3  LYS  57           HG1      LYS  57   4.842 -19.646  -9.185
  421    HD2  LYS  57           HD2      LYS  57   5.733 -16.894  -8.364
  422    HD3  LYS  57           HD1      LYS  57   4.566 -17.756  -7.368
  423    HE2  LYS  57           HE2      LYS  57   7.141 -18.059  -6.913
  424    HE3  LYS  57           HE1      LYS  57   6.063 -19.451  -6.825
  425    HZ1  LYS  57           HZ1      LYS  57   7.971 -20.006  -8.138
  426    HZ2  LYS  57           HZ2      LYS  57   7.745 -18.652  -9.137
  427    HZ3  LYS  57           HZ3      LYS  57   6.622 -19.926  -9.161
  428    H    GLY  58           HN       GLY  58   6.096 -14.915 -11.498
  429    HA2  GLY  58           HA2      GLY  58   5.117 -13.862  -8.987
  430    HA3  GLY  58           HA1      GLY  58   6.202 -13.051 -10.113
  431    H    HIS  59           HN       HIS  59   4.391 -13.519 -12.394
  432    HA   HIS  59           HA       HIS  59   2.970 -11.107 -12.370
  433    HB2  HIS  59           HB2      HIS  59   3.199 -13.435 -14.134
  434    HB3  HIS  59           HB1      HIS  59   1.618 -12.656 -14.207
  435    HD2  HIS  59           HD2      HIS  59   4.771 -12.265 -16.069
  436    HE1  HIS  59           HE1      HIS  59   3.408  -8.291 -15.651
  437    HE2  HIS  59           HE2      HIS  59   5.031  -9.800 -16.891
  438    H    HIS  60           HN       HIS  60   2.262 -14.033 -10.820
  439    HA   HIS  60           HA       HIS  60  -0.453 -13.072 -10.208
  440    HB2  HIS  60           HB2      HIS  60   0.311 -15.676 -11.435
  441    HB3  HIS  60           HB1      HIS  60  -0.949 -15.699 -10.201
  442    HD2  HIS  60           HD2      HIS  60  -0.542 -14.742 -13.917
  443    HE1  HIS  60           HE1      HIS  60  -4.314 -13.292 -12.697
  444    HE2  HIS  60           HE2      HIS  60  -2.812 -13.718 -14.701
  445    H    HIS  61           HN       HIS  61   0.770 -12.368  -8.280
  446    HA   HIS  61           HA       HIS  61   1.333 -14.584  -6.406
  447    HB2  HIS  61           HB2      HIS  61   2.898 -12.403  -7.068
  448    HB3  HIS  61           HB1      HIS  61   2.139 -11.907  -5.554
  449    HD2  HIS  61           HD2      HIS  61   5.105 -14.002  -6.642
  450    HE1  HIS  61           HE1      HIS  61   4.110 -15.399  -2.784
  451    HE2  HIS  61           HE2      HIS  61   5.875 -15.451  -4.611
  452    H    HIS  62           HN       HIS  62   0.398 -14.598  -4.373
  453    HA   HIS  62           HA       HIS  62  -1.303 -14.297  -2.856
  454    HB2  HIS  62           HB2      HIS  62  -0.222 -11.652  -3.477
  455    HB3  HIS  62           HB1      HIS  62  -1.890 -11.596  -2.906
  456    HD2  HIS  62           HD2      HIS  62   1.251 -13.709  -1.609
  457    HE1  HIS  62           HE1      HIS  62  -0.766 -12.009   1.687
  458    HE2  HIS  62           HE2      HIS  62   1.188 -13.475   0.990
  459    H    HIS  63           HN       HIS  63  -3.157 -15.209  -3.520
  460    HA   HIS  63           HA       HIS  63  -5.166 -15.517  -4.598
  461    HB2  HIS  63           HB2      HIS  63  -5.401 -13.379  -3.059
  462    HB3  HIS  63           HB1      HIS  63  -5.571 -12.557  -4.610
  463    HD2  HIS  63           HD2      HIS  63  -7.542 -15.142  -2.404
  464    HE1  HIS  63           HE1      HIS  63  -9.942 -14.167  -5.737
  465    HE2  HIS  63           HE2      HIS  63  -9.893 -15.393  -3.514
  466    H    HIS  64           HN       HIS  64  -2.967 -15.367  -6.331
  467    HA   HIS  64           HA       HIS  64  -2.339 -14.871  -8.499
  468    HB2  HIS  64           HB2      HIS  64  -5.309 -15.344  -8.838
  469    HB3  HIS  64           HB1      HIS  64  -4.114 -15.403 -10.132
  470    HD2  HIS  64           HD2      HIS  64  -2.720 -17.816 -10.313
  471    HE1  HIS  64           HE1      HIS  64  -4.213 -19.565  -6.772
  472    HE2  HIS  64           HE2      HIS  64  -2.815 -19.979  -8.852
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  78.779 -20.906  24.502
    2    H2   MET   1           HT2      MET   1  79.166 -19.456  23.704
    3    H3   MET   1           HT3      MET   1  80.071 -19.955  25.054
    4    HA   MET   1           HA       MET   1  80.653 -20.442  22.416
    5    HB2  MET   1           HB2      MET   1  81.812 -20.704  24.972
    6    HB3  MET   1           HB1      MET   1  81.956 -22.294  24.219
    7    HG2  MET   1           HG2      MET   1  83.906 -20.991  23.607
    8    HG3  MET   1           HG1      MET   1  82.892 -21.170  22.176
    9    HE1  MET   1           HE1      MET   1  83.688 -17.478  24.730
   10    HE2  MET   1           HE2      MET   1  84.883 -18.682  24.256
   11    HE3  MET   1           HE3      MET   1  83.541 -19.147  25.297
   12    H    GLU   2           HN       GLU   2  79.018 -22.509  24.749
   13    HA   GLU   2           HA       GLU   2  79.064 -24.785  22.911
   14    HB2  GLU   2           HB2      GLU   2  77.651 -25.783  24.874
   15    HB3  GLU   2           HB1      GLU   2  79.385 -25.543  25.090
   16    HG2  GLU   2           HG2      GLU   2  77.484 -23.330  25.804
   17    HG3  GLU   2           HG1      GLU   2  77.725 -24.668  26.926
   18    H    GLU   3           HN       GLU   3  77.745 -24.043  21.224
   19    HA   GLU   3           HA       GLU   3  75.266 -22.802  21.428
   20    HB2  GLU   3           HB2      GLU   3  74.791 -23.886  19.196
   21    HB3  GLU   3           HB1      GLU   3  76.315 -23.001  19.279
   22    HG2  GLU   3           HG2      GLU   3  77.562 -24.882  19.032
   23    HG3  GLU   3           HG1      GLU   3  76.518 -25.824  20.095
   24    H    GLY   4           HN       GLY   4  73.108 -23.664  21.174
   25    HA2  GLY   4           HA2      GLY   4  72.763 -26.456  22.056
   26    HA3  GLY   4           HA1      GLY   4  71.965 -25.162  22.946
   27    H    GLY   5           HN       GLY   5  70.735 -23.586  21.399
   28    HA2  GLY   5           HA2      GLY   5  68.687 -25.107  20.120
   29    HA3  GLY   5           HA1      GLY   5  68.825 -23.352  20.128
   30    H    ASP   6           HN       ASP   6  68.050 -23.621  17.871
   31    HA   ASP   6           HA       ASP   6  70.166 -23.289  16.025
   32    HB2  ASP   6           HB2      ASP   6  69.497 -25.342  14.603
   33    HB3  ASP   6           HB1      ASP   6  70.559 -25.603  15.986
   34    H    PHE   7           HN       PHE   7  68.215 -21.602  16.426
   35    HA   PHE   7           HA       PHE   7  66.565 -20.390  15.385
   36    HB2  PHE   7           HB2      PHE   7  68.023 -21.630  13.325
   37    HB3  PHE   7           HB1      PHE   7  66.324 -21.881  12.923
   38    HD1  PHE   7           HD2      PHE   7  64.752 -19.831  13.063
   39    HD2  PHE   7           HD1      PHE   7  69.036 -19.539  12.951
   40    HE1  PHE   7           HE2      PHE   7  64.572 -17.466  12.341
   41    HE2  PHE   7           HE1      PHE   7  68.856 -17.173  12.229
   42    HZ   PHE   7           HZ       PHE   7  66.623 -16.136  11.924
   43    H    ASP   8           HN       ASP   8  64.394 -20.438  15.541
   44    HA   ASP   8           HA       ASP   8  63.000 -23.011  15.204
   45    HB2  ASP   8           HB2      ASP   8  62.463 -21.168  17.536
   46    HB3  ASP   8           HB1      ASP   8  61.829 -22.791  17.272
   47    H    ASN   9           HN       ASN   9  63.113 -20.826  13.409
   48    HA   ASN   9           HA       ASN   9  61.788 -19.350  12.239
   49    HB2  ASN   9           HB2      ASN   9  60.545 -21.769  12.412
   50    HB3  ASN   9           HB1      ASN   9  59.297 -20.693  13.040
   51   HD21  ASN   9          HD21      ASN   9  60.217 -18.377  11.393
   52   HD22  ASN   9          HD22      ASN   9  59.741 -18.728   9.802
   53    H    TYR  10           HN       TYR  10  59.479 -18.158  12.435
   54    HA   TYR  10           HA       TYR  10  59.712 -16.207  14.370
   55    HB2  TYR  10           HB2      TYR  10  58.151 -16.325  12.306
   56    HB3  TYR  10           HB1      TYR  10  57.006 -17.097  13.402
   57    HD1  TYR  10           HD1      TYR  10  58.994 -14.020  12.799
   58    HD2  TYR  10           HD2      TYR  10  55.863 -15.850  15.101
   59    HE1  TYR  10           HE1      TYR  10  58.365 -11.800  13.707
   60    HE2  TYR  10           HE2      TYR  10  55.233 -13.630  16.008
   61    HH   TYR  10           HH       TYR  10  55.750 -11.472  16.108
   62    H    TYR  11           HN       TYR  11  60.219 -17.156  16.379
   63    HA   TYR  11           HA       TYR  11  59.815 -18.189  18.404
   64    HB2  TYR  11           HB2      TYR  11  58.288 -16.087  18.298
   65    HB3  TYR  11           HB1      TYR  11  56.975 -17.249  18.102
   66    HD1  TYR  11           HD2      TYR  11  59.897 -16.435  20.291
   67    HD2  TYR  11           HD1      TYR  11  56.066 -18.351  19.972
   68    HE1  TYR  11           HE2      TYR  11  59.908 -16.865  22.732
   69    HE2  TYR  11           HE1      TYR  11  56.078 -18.781  22.414
   70    HH   TYR  11           HH       TYR  11  57.492 -18.887  24.254
   71    H    GLY  12           HN       GLY  12  59.579 -19.932  16.206
   72    HA2  GLY  12           HA2      GLY  12  58.622 -21.921  15.511
   73    HA3  GLY  12           HA1      GLY  12  58.551 -22.231  17.244
   74    H    ALA  13           HN       ALA  13  56.777 -19.645  15.682
   75    HA   ALA  13           HA       ALA  13  54.260 -20.975  16.450
   76    HB1  ALA  13           HB1      ALA  13  54.300 -18.880  17.487
   77    HB2  ALA  13           HB2      ALA  13  53.370 -18.568  16.021
   78    HB3  ALA  13           HB3      ALA  13  55.068 -18.103  16.104
   79    H    ASP  14           HN       ASP  14  55.997 -19.523  13.767
   80    HA   ASP  14           HA       ASP  14  53.736 -19.921  11.955
   81    HB2  ASP  14           HB2      ASP  14  55.165 -18.835  10.285
   82    HB3  ASP  14           HB1      ASP  14  55.077 -17.864  11.754
   83    H    ASN  15           HN       ASN  15  56.747 -21.397  12.866
   84    HA   ASN  15           HA       ASN  15  57.449 -22.905  10.677
   85    HB2  ASN  15           HB2      ASN  15  58.327 -22.824  13.205
   86    HB3  ASN  15           HB1      ASN  15  57.399 -24.320  13.293
   87   HD21  ASN  15          HD21      ASN  15  60.476 -23.537  13.002
   88   HD22  ASN  15          HD22      ASN  15  61.008 -24.646  11.832
   89    H    GLN  16           HN       GLN  16  54.531 -23.025  12.428
   90    HA   GLN  16           HA       GLN  16  53.876 -25.713  11.415
   91    HB2  GLN  16           HB2      GLN  16  52.176 -25.816  13.035
   92    HB3  GLN  16           HB1      GLN  16  53.490 -24.983  13.867
   93    HG2  GLN  16           HG2      GLN  16  52.368 -22.810  12.972
   94    HG3  GLN  16           HG1      GLN  16  50.951 -23.830  12.733
   95   HE21  GLN  16          HE21      GLN  16  51.891 -21.639  14.858
   96   HE22  GLN  16          HE22      GLN  16  51.395 -22.344  16.320
   97    H    SER  17           HN       SER  17  53.196 -22.344  10.989
   98    HA   SER  17           HA       SER  17  50.703 -22.669   9.604
   99    HB2  SER  17           HB2      SER  17  51.119 -20.545  10.622
  100    HB3  SER  17           HB1      SER  17  52.671 -20.383   9.804
  101    HG   SER  17           HG       SER  17  51.324 -19.236   8.554
  102    H    GLU  18           HN       GLU  18  54.096 -22.435   8.669
  103    HA   GLU  18           HA       GLU  18  53.902 -22.021   5.945
  104    HB2  GLU  18           HB2      GLU  18  55.999 -23.442   5.797
  105    HB3  GLU  18           HB1      GLU  18  56.069 -22.108   6.949
  106    HG2  GLU  18           HG2      GLU  18  55.589 -23.612   8.798
  107    HG3  GLU  18           HG1      GLU  18  55.347 -24.958   7.685
  108    H    CYS  19           HN       CYS  19  52.990 -24.812   7.789
  109    HA   CYS  19           HA       CYS  19  53.013 -26.726   5.683
  110    HB2  CYS  19           HB2      CYS  19  52.961 -27.440   8.006
  111    HB3  CYS  19           HB1      CYS  19  51.415 -26.627   8.251
  112    HG   CYS  19           HG       CYS  19  50.787 -29.068   7.707
  113    H    GLU  20           HN       GLU  20  50.723 -24.303   6.744
  114    HA   GLU  20           HA       GLU  20  48.565 -25.337   5.103
  115    HB2  GLU  20           HB2      GLU  20  48.726 -22.636   6.447
  116    HB3  GLU  20           HB1      GLU  20  47.278 -23.507   5.942
  117    HG2  GLU  20           HG2      GLU  20  49.221 -24.408   8.089
  118    HG3  GLU  20           HG1      GLU  20  47.623 -23.719   8.373
  119    H    TYR  21           HN       TYR  21  51.355 -23.619   4.503
  120    HA   TYR  21           HA       TYR  21  50.201 -21.985   2.357
  121    HB2  TYR  21           HB2      TYR  21  51.791 -20.614   3.207
  122    HB3  TYR  21           HB1      TYR  21  52.686 -21.947   3.938
  123    HD1  TYR  21           HD1      TYR  21  54.364 -23.196   2.666
  124    HD2  TYR  21           HD2      TYR  21  52.211 -19.925   0.902
  125    HE1  TYR  21           HE1      TYR  21  55.994 -23.130   0.798
  126    HE2  TYR  21           HE2      TYR  21  53.841 -19.859  -0.966
  127    HH   TYR  21           HH       TYR  21  56.720 -21.922  -0.964
  128    H    THR  22           HN       THR  22  52.590 -24.572   2.846
  129    HA   THR  22           HA       THR  22  53.228 -24.892   0.094
  130    HB   THR  22           HB       THR  22  54.462 -25.749   2.242
  131    HG1  THR  22           HG1      THR  22  54.820 -26.141  -0.148
  132   HG21  THR  22          HG21      THR  22  52.946 -28.259   1.567
  133   HG22  THR  22          HG22      THR  22  52.331 -27.143   2.787
  134   HG23  THR  22          HG23      THR  22  53.909 -27.900   3.000
  135    H    ASP  23           HN       ASP  23  50.591 -25.947   2.062
  136    HA   ASP  23           HA       ASP  23  49.773 -28.022   0.177
  137    HB2  ASP  23           HB2      ASP  23  48.944 -27.153   2.898
  138    HB3  ASP  23           HB1      ASP  23  47.715 -27.906   1.882
  139    H    TRP  24           HN       TRP  24  48.679 -24.854   1.337
  140    HA   TRP  24           HA       TRP  24  46.266 -24.668  -0.042
  141    HB2  TRP  24           HB2      TRP  24  46.528 -22.887   1.382
  142    HB3  TRP  24           HB1      TRP  24  48.244 -22.709   1.015
  143    HD1  TRP  24           HD1      TRP  24  44.823 -22.144  -0.693
  144    HE1  TRP  24           HE1      TRP  24  45.049 -20.144  -2.304
  145    HE3  TRP  24           HE3      TRP  24  49.804 -21.150  -0.169
  146    HZ2  TRP  24           HZ2      TRP  24  47.077 -18.358  -3.245
  147    HZ3  TRP  24           HZ3      TRP  24  50.856 -19.296  -1.432
  148    HH2  TRP  24           HH2      TRP  24  49.500 -17.900  -2.969
  149    H    LYS  25           HN       LYS  25  49.413 -23.337  -1.091
  150    HA   LYS  25           HA       LYS  25  48.696 -22.528  -3.636
  151    HB2  LYS  25           HB2      LYS  25  50.918 -22.169  -2.481
  152    HB3  LYS  25           HB1      LYS  25  51.348 -23.810  -2.966
  153    HG2  LYS  25           HG2      LYS  25  51.066 -23.246  -5.313
  154    HG3  LYS  25           HG1      LYS  25  50.469 -21.641  -4.892
  155    HD2  LYS  25           HD2      LYS  25  52.988 -22.059  -3.582
  156    HD3  LYS  25           HD1      LYS  25  53.167 -22.439  -5.296
  157    HE2  LYS  25           HE2      LYS  25  52.194 -20.270  -5.902
  158    HE3  LYS  25           HE1      LYS  25  51.947 -19.888  -4.197
  159    HZ1  LYS  25           HZ1      LYS  25  54.139 -19.239  -5.607
  160    HZ2  LYS  25           HZ2      LYS  25  54.639 -20.683  -4.864
  161    HZ3  LYS  25           HZ3      LYS  25  54.092 -19.383  -3.918
  162    H    SER  26           HN       SER  26  49.251 -25.751  -2.429
  163    HA   SER  26           HA       SER  26  49.442 -26.968  -5.044
  164    HB2  SER  26           HB2      SER  26  50.375 -28.554  -3.760
  165    HB3  SER  26           HB1      SER  26  49.780 -27.786  -2.292
  166    HG   SER  26           HG       SER  26  48.045 -29.241  -3.969
  167    H    SER  27           HN       SER  27  46.994 -26.860  -2.456
  168    HA   SER  27           HA       SER  27  45.025 -28.301  -3.936
  169    HB2  SER  27           HB2      SER  27  45.274 -27.621  -1.330
  170    HB3  SER  27           HB1      SER  27  44.125 -26.394  -1.856
  171    HG   SER  27           HG       SER  27  43.910 -29.204  -1.900
  172    H    GLY  28           HN       GLY  28  46.021 -24.978  -3.823
  173    HA2  GLY  28           HA2      GLY  28  43.643 -23.789  -4.838
  174    HA3  GLY  28           HA1      GLY  28  45.254 -23.081  -4.883
  175    H    ALA  29           HN       ALA  29  45.588 -26.037  -6.246
  176    HA   ALA  29           HA       ALA  29  45.332 -24.925  -8.964
  177    HB1  ALA  29           HB1      ALA  29  47.003 -26.462  -9.644
  178    HB2  ALA  29           HB2      ALA  29  46.807 -27.440  -8.189
  179    HB3  ALA  29           HB3      ALA  29  47.553 -25.845  -8.087
  180    H    LEU  30           HN       LEU  30  43.787 -27.009  -6.824
  181    HA   LEU  30           HA       LEU  30  42.298 -28.249  -9.049
  182    HB2  LEU  30           HB2      LEU  30  42.186 -30.361  -7.787
  183    HB3  LEU  30           HB1      LEU  30  43.853 -29.935  -8.176
  184    HG   LEU  30           HG       LEU  30  43.391 -28.666  -5.737
  185   HD11  LEU  30          HD11      LEU  30  42.329 -31.500  -5.591
  186   HD12  LEU  30          HD12      LEU  30  41.292 -30.073  -5.602
  187   HD13  LEU  30          HD13      LEU  30  42.427 -30.327  -4.278
  188   HD21  LEU  30          HD21      LEU  30  45.466 -29.775  -6.395
  189   HD22  LEU  30          HD22      LEU  30  44.667 -31.347  -6.366
  190   HD23  LEU  30          HD23      LEU  30  44.909 -30.453  -4.865
  191    H    ILE  31           HN       ILE  31  42.195 -26.276  -6.434
  192    HA   ILE  31           HA       ILE  31  39.776 -27.193  -5.191
  193    HB   ILE  31           HB       ILE  31  41.515 -24.773  -4.943
  194   HG12  ILE  31          HG12      ILE  31  41.597 -27.108  -3.692
  195   HG13  ILE  31          HG11      ILE  31  41.920 -25.611  -2.821
  196   HG21  ILE  31          HG21      ILE  31  39.431 -23.659  -4.896
  197   HG22  ILE  31          HG22      ILE  31  39.774 -23.990  -3.199
  198   HG23  ILE  31          HG23      ILE  31  38.630 -25.002  -4.081
  199   HD11  ILE  31          HD11      ILE  31  39.777 -25.587  -1.827
  200   HD12  ILE  31          HD12      ILE  31  40.249 -27.285  -1.761
  201   HD13  ILE  31          HD13      ILE  31  39.123 -26.731  -2.998
  202    HA   PRO  32           HA       PRO  32  38.041 -23.505  -7.946
  203    HB2  PRO  32           HB2      PRO  32  39.393 -24.265 -10.477
  204    HB3  PRO  32           HB1      PRO  32  39.070 -22.655  -9.809
  205    HG2  PRO  32           HG2      PRO  32  41.524 -23.703  -9.832
  206    HG3  PRO  32           HG1      PRO  32  40.957 -22.666  -8.511
  207    HD2  PRO  32           HD2      PRO  32  41.293 -25.640  -8.561
  208    HD3  PRO  32           HD1      PRO  32  41.556 -24.496  -7.228
  209    H    ALA  33           HN       ALA  33  38.841 -26.771  -8.888
  210    HA   ALA  33           HA       ALA  33  36.841 -27.295 -10.772
  211    HB1  ALA  33           HB1      ALA  33  38.100 -29.115  -8.709
  212    HB2  ALA  33           HB2      ALA  33  38.612 -28.892 -10.381
  213    HB3  ALA  33           HB3      ALA  33  37.071 -29.674 -10.028
  214    H    ILE  34           HN       ILE  34  36.729 -28.343  -7.361
  215    HA   ILE  34           HA       ILE  34  34.063 -29.009  -7.228
  216    HB   ILE  34           HB       ILE  34  36.012 -27.971  -5.204
  217   HG12  ILE  34          HG12      ILE  34  35.706 -30.410  -6.200
  218   HG13  ILE  34          HG11      ILE  34  36.057 -30.180  -4.489
  219   HG21  ILE  34          HG21      ILE  34  34.068 -26.973  -4.315
  220   HG22  ILE  34          HG22      ILE  34  34.141 -28.532  -3.499
  221   HG23  ILE  34          HG23      ILE  34  33.034 -28.297  -4.852
  222   HD11  ILE  34          HD11      ILE  34  33.817 -30.575  -3.853
  223   HD12  ILE  34          HD12      ILE  34  34.108 -31.769  -5.118
  224   HD13  ILE  34          HD13      ILE  34  33.210 -30.297  -5.485
  225    H    TYR  35           HN       TYR  35  35.526 -25.807  -6.844
  226    HA   TYR  35           HA       TYR  35  33.182 -24.426  -6.090
  227    HB2  TYR  35           HB2      TYR  35  35.893 -23.751  -6.932
  228    HB3  TYR  35           HB1      TYR  35  34.698 -22.592  -7.515
  229    HD1  TYR  35           HD1      TYR  35  35.898 -24.353  -4.453
  230    HD2  TYR  35           HD2      TYR  35  33.691 -21.030  -6.046
  231    HE1  TYR  35           HE1      TYR  35  35.741 -23.369  -2.182
  232    HE2  TYR  35           HE2      TYR  35  33.535 -20.045  -3.775
  233    HH   TYR  35           HH       TYR  35  33.644 -20.774  -1.446
  234    H    MET  36           HN       MET  36  34.783 -24.539  -9.285
  235    HA   MET  36           HA       MET  36  32.724 -23.265 -10.705
  236    HB2  MET  36           HB2      MET  36  35.065 -24.959 -11.400
  237    HB3  MET  36           HB1      MET  36  33.803 -24.803 -12.625
  238    HG2  MET  36           HG2      MET  36  35.658 -23.041 -12.697
  239    HG3  MET  36           HG1      MET  36  34.005 -22.426 -12.673
  240    HE1  MET  36           HE1      MET  36  33.024 -20.957 -11.018
  241    HE2  MET  36           HE2      MET  36  34.355 -20.136 -11.830
  242    HE3  MET  36           HE3      MET  36  34.119 -19.916 -10.098
  243    H    LEU  37           HN       LEU  37  33.454 -26.754 -10.478
  244    HA   LEU  37           HA       LEU  37  31.327 -27.757 -11.921
  245    HB2  LEU  37           HB2      LEU  37  33.236 -29.056 -10.870
  246    HB3  LEU  37           HB1      LEU  37  32.328 -29.005  -9.359
  247    HG   LEU  37           HG       LEU  37  30.407 -29.826 -11.146
  248   HD11  LEU  37          HD11      LEU  37  33.014 -31.193 -11.882
  249   HD12  LEU  37          HD12      LEU  37  32.148 -30.053 -12.910
  250   HD13  LEU  37          HD13      LEU  37  31.414 -31.603 -12.500
  251   HD21  LEU  37          HD21      LEU  37  32.313 -31.393  -9.389
  252   HD22  LEU  37          HD22      LEU  37  30.918 -32.132 -10.176
  253   HD23  LEU  37          HD23      LEU  37  30.684 -30.845  -8.994
  254    H    VAL  38           HN       VAL  38  31.353 -26.451  -8.669
  255    HA   VAL  38           HA       VAL  38  28.598 -27.282  -8.178
  256    HB   VAL  38           HB       VAL  38  30.622 -25.764  -6.525
  257   HG11  VAL  38          HG11      VAL  38  28.798 -26.153  -4.715
  258   HG12  VAL  38          HG12      VAL  38  27.692 -26.320  -6.077
  259   HG13  VAL  38          HG13      VAL  38  28.576 -24.813  -5.840
  260   HG21  VAL  38          HG21      VAL  38  29.258 -28.388  -5.913
  261   HG22  VAL  38          HG22      VAL  38  30.758 -27.748  -5.241
  262   HG23  VAL  38          HG23      VAL  38  30.715 -28.326  -6.907
  263    H    PHE  39           HN       PHE  39  30.321 -24.595  -9.432
  264    HA   PHE  39           HA       PHE  39  28.309 -22.611  -8.818
  265    HB2  PHE  39           HB2      PHE  39  30.756 -22.100  -9.144
  266    HB3  PHE  39           HB1      PHE  39  30.532 -22.440 -10.861
  267    HD1  PHE  39           HD2      PHE  39  28.841 -21.089 -12.177
  268    HD2  PHE  39           HD1      PHE  39  30.074 -20.023  -8.202
  269    HE1  PHE  39           HE2      PHE  39  27.969 -18.793 -12.522
  270    HE2  PHE  39           HE1      PHE  39  29.202 -17.728  -8.547
  271    HZ   PHE  39           HZ       PHE  39  28.149 -17.113 -10.707
  272    H    LEU  40           HN       LEU  40  29.495 -24.034 -11.876
  273    HA   LEU  40           HA       LEU  40  27.374 -23.030 -13.456
  274    HB2  LEU  40           HB2      LEU  40  28.145 -24.649 -15.146
  275    HB3  LEU  40           HB1      LEU  40  29.500 -23.777 -14.428
  276    HG   LEU  40           HG       LEU  40  29.216 -25.937 -12.732
  277   HD11  LEU  40          HD11      LEU  40  28.896 -27.908 -14.032
  278   HD12  LEU  40          HD12      LEU  40  28.976 -27.011 -15.548
  279   HD13  LEU  40          HD13      LEU  40  27.576 -26.833 -14.490
  280   HD21  LEU  40          HD21      LEU  40  30.965 -25.460 -15.155
  281   HD22  LEU  40          HD22      LEU  40  31.214 -26.831 -14.075
  282   HD23  LEU  40          HD23      LEU  40  31.362 -25.185 -13.459
  283    H    LEU  41           HN       LEU  41  27.171 -25.141 -10.977
  284    HA   LEU  41           HA       LEU  41  25.156 -26.881 -12.227
  285    HB2  LEU  41           HB2      LEU  41  27.033 -27.155 -10.029
  286    HB3  LEU  41           HB1      LEU  41  25.394 -27.575  -9.533
  287    HG   LEU  41           HG       LEU  41  26.692 -28.645 -12.051
  288   HD11  LEU  41          HD11      LEU  41  26.433 -30.730 -10.219
  289   HD12  LEU  41          HD12      LEU  41  27.061 -29.393  -9.254
  290   HD13  LEU  41          HD13      LEU  41  27.939 -29.939 -10.683
  291   HD21  LEU  41          HD21      LEU  41  24.623 -30.246 -10.792
  292   HD22  LEU  41          HD22      LEU  41  24.684 -29.604 -12.434
  293   HD23  LEU  41          HD23      LEU  41  24.032 -28.617 -11.126
  294    H    GLY  42           HN       GLY  42  25.454 -25.212  -9.083
  295    HA2  GLY  42           HA2      GLY  42  22.549 -24.864  -9.013
  296    HA3  GLY  42           HA1      GLY  42  23.667 -24.573  -7.684
  297    H    THR  43           HN       THR  43  24.774 -23.255 -10.594
  298    HA   THR  43           HA       THR  43  23.537 -20.634 -10.046
  299    HB   THR  43           HB       THR  43  26.362 -20.532 -10.868
  300    HG1  THR  43           HG1      THR  43  27.163 -21.199  -8.951
  301   HG21  THR  43          HG21      THR  43  24.984 -18.560 -10.273
  302   HG22  THR  43          HG22      THR  43  26.378 -18.729  -9.205
  303   HG23  THR  43          HG23      THR  43  24.776 -19.212  -8.648
  304    H    THR  44           HN       THR  44  22.995 -22.625 -12.089
  305    HA   THR  44           HA       THR  44  23.580 -20.964 -14.454
  306    HB   THR  44           HB       THR  44  24.020 -23.929 -14.149
  307    HG1  THR  44           HG1      THR  44  25.670 -22.378 -15.680
  308   HG21  THR  44          HG21      THR  44  23.303 -22.340 -16.597
  309   HG22  THR  44          HG22      THR  44  22.744 -23.940 -16.109
  310   HG23  THR  44          HG23      THR  44  24.381 -23.729 -16.732
  311    H    GLY  45           HN       GLY  45  21.713 -23.753 -13.249
  312    HA2  GLY  45           HA2      GLY  45  19.456 -22.911 -14.959
  313    HA3  GLY  45           HA1      GLY  45  19.689 -24.531 -14.311
  314    H    ASN  46           HN       ASN  46  20.560 -22.562 -11.866
  315    HA   ASN  46           HA       ASN  46  17.992 -22.902 -10.521
  316    HB2  ASN  46           HB2      ASN  46  20.803 -22.427  -9.690
  317    HB3  ASN  46           HB1      ASN  46  19.546 -21.766  -8.645
  318   HD21  ASN  46          HD21      ASN  46  20.788 -24.801 -10.047
  319   HD22  ASN  46          HD22      ASN  46  19.997 -25.821  -8.943
  320    H    GLY  47           HN       GLY  47  20.296 -20.267 -11.201
  321    HA2  GLY  47           HA2      GLY  47  18.625 -18.199 -10.177
  322    HA3  GLY  47           HA1      GLY  47  20.025 -17.978 -11.224
  323    H    LEU  48           HN       LEU  48  19.365 -19.253 -13.507
  324    HA   LEU  48           HA       LEU  48  17.766 -17.456 -14.891
  325    HB2  LEU  48           HB2      LEU  48  19.368 -19.086 -15.918
  326    HB3  LEU  48           HB1      LEU  48  18.197 -20.365 -15.609
  327    HG   LEU  48           HG       LEU  48  16.520 -19.123 -16.978
  328   HD11  LEU  48          HD11      LEU  48  17.812 -17.386 -18.554
  329   HD12  LEU  48          HD12      LEU  48  18.784 -17.176 -17.098
  330   HD13  LEU  48          HD13      LEU  48  17.046 -16.880 -17.049
  331   HD21  LEU  48          HD21      LEU  48  18.006 -20.892 -17.946
  332   HD22  LEU  48          HD22      LEU  48  19.130 -19.624 -18.439
  333   HD23  LEU  48          HD23      LEU  48  17.509 -19.683 -19.131
  334    H    VAL  49           HN       VAL  49  16.889 -20.663 -13.613
  335    HA   VAL  49           HA       VAL  49  14.216 -20.672 -14.478
  336    HB   VAL  49           HB       VAL  49  15.643 -22.038 -12.203
  337   HG11  VAL  49          HG11      VAL  49  13.465 -21.902 -11.317
  338   HG12  VAL  49          HG12      VAL  49  13.452 -23.443 -12.176
  339   HG13  VAL  49          HG13      VAL  49  12.712 -22.019 -12.908
  340   HG21  VAL  49          HG21      VAL  49  15.322 -24.006 -13.609
  341   HG22  VAL  49          HG22      VAL  49  16.062 -22.730 -14.576
  342   HG23  VAL  49          HG23      VAL  49  14.340 -23.077 -14.740
  343    H    LEU  50           HN       LEU  50  15.198 -20.294 -11.076
  344    HA   LEU  50           HA       LEU  50  12.903 -19.305 -10.012
  345    HB2  LEU  50           HB2      LEU  50  15.773 -18.599  -9.427
  346    HB3  LEU  50           HB1      LEU  50  14.448 -17.899  -8.497
  347    HG   LEU  50           HG       LEU  50  14.458 -20.860  -8.916
  348   HD11  LEU  50          HD11      LEU  50  16.652 -20.807  -8.164
  349   HD12  LEU  50          HD12      LEU  50  15.793 -20.810  -6.623
  350   HD13  LEU  50          HD13      LEU  50  16.422 -19.298  -7.280
  351   HD21  LEU  50          HD21      LEU  50  13.140 -20.860  -6.999
  352   HD22  LEU  50          HD22      LEU  50  12.732 -19.280  -7.669
  353   HD23  LEU  50          HD23      LEU  50  13.900 -19.406  -6.353
  354    H    TRP  51           HN       TRP  51  15.132 -17.605 -12.106
  355    HA   TRP  51           HA       TRP  51  13.978 -15.004 -11.656
  356    HB2  TRP  51           HB2      TRP  51  16.285 -15.126 -12.356
  357    HB3  TRP  51           HB1      TRP  51  15.847 -16.058 -13.788
  358    HD1  TRP  51           HD1      TRP  51  15.775 -12.538 -12.354
  359    HE1  TRP  51           HE1      TRP  51  15.188 -10.877 -14.237
  360    HE3  TRP  51           HE3      TRP  51  14.583 -15.814 -16.085
  361    HZ2  TRP  51           HZ2      TRP  51  14.328 -10.929 -16.964
  362    HZ3  TRP  51           HZ3      TRP  51  13.884 -14.982 -18.312
  363    HH2  TRP  51           HH2      TRP  51  13.755 -12.546 -18.756
  364    H    THR  52           HN       THR  52  13.886 -17.352 -14.338
  365    HA   THR  52           HA       THR  52  12.050 -15.901 -15.930
  366    HB   THR  52           HB       THR  52  12.957 -18.760 -15.832
  367    HG1  THR  52           HG1      THR  52  13.107 -17.694 -18.202
  368   HG21  THR  52          HG21      THR  52  11.530 -18.961 -17.996
  369   HG22  THR  52          HG22      THR  52  10.602 -17.620 -17.323
  370   HG23  THR  52          HG23      THR  52  10.719 -19.143 -16.441
  371    H    VAL  53           HN       VAL  53  11.602 -18.512 -13.561
  372    HA   VAL  53           HA       VAL  53   8.844 -18.869 -13.866
  373    HB   VAL  53           HB       VAL  53  10.649 -19.210 -11.468
  374   HG11  VAL  53          HG11      VAL  53   7.694 -19.515 -11.778
  375   HG12  VAL  53          HG12      VAL  53   8.633 -19.065 -10.354
  376   HG13  VAL  53          HG13      VAL  53   8.550 -20.752 -10.859
  377   HG21  VAL  53          HG21      VAL  53  10.903 -20.662 -13.549
  378   HG22  VAL  53          HG22      VAL  53   9.281 -21.270 -13.216
  379   HG23  VAL  53          HG23      VAL  53  10.578 -21.536 -12.051
  380    H    PHE  54           HN       PHE  54  10.635 -16.689 -11.704
  381    HA   PHE  54           HA       PHE  54   8.436 -15.584 -10.362
  382    HB2  PHE  54           HB2      PHE  54  11.257 -14.829 -10.825
  383    HB3  PHE  54           HB1      PHE  54  10.170 -13.502 -10.417
  384    HD1  PHE  54           HD1      PHE  54  10.122 -17.094  -9.364
  385    HD2  PHE  54           HD2      PHE  54  10.552 -12.994  -8.154
  386    HE1  PHE  54           HE1      PHE  54  10.151 -17.798  -6.986
  387    HE2  PHE  54           HE2      PHE  54  10.580 -13.698  -5.777
  388    HZ   PHE  54           HZ       PHE  54  10.380 -16.101  -5.193
  389    H    ARG  55           HN       ARG  55   9.378 -15.295 -13.616
  390    HA   ARG  55           HA       ARG  55   7.764 -12.841 -13.966
  391    HB2  ARG  55           HB2      ARG  55  10.132 -13.965 -15.390
  392    HB3  ARG  55           HB1      ARG  55   8.958 -13.048 -16.334
  393    HG2  ARG  55           HG2      ARG  55   9.395 -11.070 -15.218
  394    HG3  ARG  55           HG1      ARG  55   9.865 -11.890 -13.729
  395    HD2  ARG  55           HD2      ARG  55  11.565 -12.283 -16.159
  396    HD3  ARG  55           HD1      ARG  55  11.687 -10.756 -15.290
  397    HE   ARG  55           HE       ARG  55  12.731 -13.266 -14.429
  398   HH11  ARG  55          HH21      ARG  55  11.178 -10.369 -13.348
  399   HH12  ARG  55          HH22      ARG  55  11.839 -10.447 -11.750
  400   HH21  ARG  55          HH11      ARG  55  13.597 -13.377 -12.333
  401   HH22  ARG  55          HH12      ARG  55  13.209 -12.150 -11.174
  402    H    LYS  56           HN       LYS  56   7.226 -15.977 -13.926
  403    HA   LYS  56           HA       LYS  56   5.446 -15.914 -16.291
  404    HB2  LYS  56           HB2      LYS  56   6.079 -18.000 -16.934
  405    HB3  LYS  56           HB1      LYS  56   7.550 -17.591 -16.055
  406    HG2  LYS  56           HG2      LYS  56   6.451 -18.611 -13.984
  407    HG3  LYS  56           HG1      LYS  56   5.192 -19.223 -15.056
  408    HD2  LYS  56           HD2      LYS  56   8.009 -19.795 -15.855
  409    HD3  LYS  56           HD1      LYS  56   7.382 -20.658 -14.454
  410    HE2  LYS  56           HE2      LYS  56   6.970 -21.901 -16.557
  411    HE3  LYS  56           HE1      LYS  56   5.464 -21.444 -15.763
  412    HZ1  LYS  56           HZ1      LYS  56   6.716 -19.781 -17.868
  413    HZ2  LYS  56           HZ2      LYS  56   5.128 -19.697 -17.269
  414    HZ3  LYS  56           HZ3      LYS  56   5.607 -21.014 -18.228
  415    H    LYS  57           HN       LYS  57   5.866 -16.616 -12.914
  416    HA   LYS  57           HA       LYS  57   3.114 -17.633 -12.703
  417    HB2  LYS  57           HB2      LYS  57   5.582 -17.933 -11.136
  418    HB3  LYS  57           HB1      LYS  57   4.140 -17.657 -10.157
  419    HG2  LYS  57           HG2      LYS  57   3.001 -19.525 -11.194
  420    HG3  LYS  57           HG1      LYS  57   4.312 -19.737 -12.355
  421    HD2  LYS  57           HD2      LYS  57   5.864 -20.263 -10.505
  422    HD3  LYS  57           HD1      LYS  57   4.545 -20.071  -9.350
  423    HE2  LYS  57           HE2      LYS  57   3.773 -22.148  -9.767
  424    HE3  LYS  57           HE1      LYS  57   3.795 -21.868 -11.508
  425    HZ1  LYS  57           HZ1      LYS  57   6.323 -22.317 -10.077
  426    HZ2  LYS  57           HZ2      LYS  57   5.935 -22.631 -11.701
  427    HZ3  LYS  57           HZ3      LYS  57   5.344 -23.644 -10.471
  428    H    GLY  58           HN       GLY  58   5.211 -15.011 -11.598
  429    HA2  GLY  58           HA2      GLY  58   3.127 -13.763 -10.025
  430    HA3  GLY  58           HA1      GLY  58   4.728 -13.108 -10.351
  431    H    HIS  59           HN       HIS  59   4.421 -13.500 -13.265
  432    HA   HIS  59           HA       HIS  59   3.520 -10.963 -13.999
  433    HB2  HIS  59           HB2      HIS  59   4.544 -11.654 -15.867
  434    HB3  HIS  59           HB1      HIS  59   4.474 -13.334 -15.334
  435    HD2  HIS  59           HD2      HIS  59   2.445 -14.864 -16.532
  436    HE1  HIS  59           HE1      HIS  59   0.708 -11.737 -18.775
  437    HE2  HIS  59           HE2      HIS  59   0.696 -14.244 -18.368
  438    H    HIS  60           HN       HIS  60   1.787 -14.016 -13.742
  439    HA   HIS  60           HA       HIS  60  -0.525 -13.590 -15.122
  440    HB2  HIS  60           HB2      HIS  60   0.262 -15.415 -13.266
  441    HB3  HIS  60           HB1      HIS  60  -0.979 -14.543 -12.365
  442    HD2  HIS  60           HD2      HIS  60  -2.868 -14.023 -15.189
  443    HE1  HIS  60           HE1      HIS  60  -3.180 -18.231 -15.051
  444    HE2  HIS  60           HE2      HIS  60  -4.186 -16.116 -16.031
  445    H    HIS  61           HN       HIS  61  -0.230 -12.736 -11.665
  446    HA   HIS  61           HA       HIS  61  -1.820 -10.313 -12.189
  447    HB2  HIS  61           HB2      HIS  61  -3.392 -12.024 -11.399
  448    HB3  HIS  61           HB1      HIS  61  -2.377 -12.317  -9.987
  449    HD2  HIS  61           HD2      HIS  61  -2.603 -10.385  -7.941
  450    HE1  HIS  61           HE1      HIS  61  -5.462  -7.961  -9.885
  451    HE2  HIS  61           HE2      HIS  61  -4.237  -8.362  -7.697
  452    H    HIS  62           HN       HIS  62  -1.875  -8.937 -10.102
  453    HA   HIS  62           HA       HIS  62   0.779  -8.250  -9.429
  454    HB2  HIS  62           HB2      HIS  62  -1.851  -7.514  -8.126
  455    HB3  HIS  62           HB1      HIS  62  -0.302  -6.778  -7.714
  456    HD2  HIS  62           HD2      HIS  62  -3.069  -6.404 -10.366
  457    HE1  HIS  62           HE1      HIS  62   0.229  -4.156 -11.744
  458    HE2  HIS  62           HE2      HIS  62  -2.234  -4.653 -12.114
  459    H    HIS  63           HN       HIS  63  -1.432  -8.681  -6.765
  460    HA   HIS  63           HA       HIS  63   0.592 -10.230  -5.344
  461    HB2  HIS  63           HB2      HIS  63  -2.045  -9.032  -4.466
  462    HB3  HIS  63           HB1      HIS  63  -0.961  -9.929  -3.402
  463    HD2  HIS  63           HD2      HIS  63   1.551  -8.598  -2.878
  464    HE1  HIS  63           HE1      HIS  63   0.315  -4.880  -4.454
  465    HE2  HIS  63           HE2      HIS  63   2.114  -6.057  -3.101
  466    H    HIS  64           HN       HIS  64  -0.560 -11.614  -7.493
  467    HA   HIS  64           HA       HIS  64  -1.775 -13.504  -8.055
  468    HB2  HIS  64           HB2      HIS  64  -1.046 -14.542  -5.335
  469    HB3  HIS  64           HB1      HIS  64  -1.030 -15.377  -6.889
  470    HD2  HIS  64           HD2      HIS  64   0.839 -12.968  -8.417
  471    HE1  HIS  64           HE1      HIS  64   3.718 -14.155  -5.567
  472    HE2  HIS  64           HE2      HIS  64   3.366 -12.925  -7.760
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  56.637  -7.546  16.767
    2    H2   MET   1           HT2      MET   1  58.283  -7.219  16.504
    3    H3   MET   1           HT3      MET   1  57.262  -6.009  17.119
    4    HA   MET   1           HA       MET   1  57.936  -8.540  18.514
    5    HB2  MET   1           HB2      MET   1  58.891  -5.697  18.975
    6    HB3  MET   1           HB1      MET   1  59.266  -7.080  20.003
    7    HG2  MET   1           HG2      MET   1  60.251  -8.204  17.953
    8    HG3  MET   1           HG1      MET   1  60.084  -6.659  17.120
    9    HE1  MET   1           HE1      MET   1  61.399  -4.603  17.496
   10    HE2  MET   1           HE2      MET   1  62.300  -5.830  16.608
   11    HE3  MET   1           HE3      MET   1  63.118  -4.857  17.827
   12    H    GLU   2           HN       GLU   2  55.792  -5.976  18.005
   13    HA   GLU   2           HA       GLU   2  54.752  -6.018  20.750
   14    HB2  GLU   2           HB2      GLU   2  53.790  -4.368  18.404
   15    HB3  GLU   2           HB1      GLU   2  53.426  -4.116  20.112
   16    HG2  GLU   2           HG2      GLU   2  55.889  -3.787  20.515
   17    HG3  GLU   2           HG1      GLU   2  56.126  -3.838  18.768
   18    H    GLU   3           HN       GLU   3  53.469  -7.721  21.138
   19    HA   GLU   3           HA       GLU   3  50.952  -7.988  19.899
   20    HB2  GLU   3           HB2      GLU   3  51.381 -10.290  18.884
   21    HB3  GLU   3           HB1      GLU   3  52.012  -8.912  17.981
   22    HG2  GLU   3           HG2      GLU   3  54.147  -9.590  18.254
   23    HG3  GLU   3           HG1      GLU   3  53.910  -9.875  19.977
   24    H    GLY   4           HN       GLY   4  49.840 -10.054  20.612
   25    HA2  GLY   4           HA2      GLY   4  50.927 -11.676  22.664
   26    HA3  GLY   4           HA1      GLY   4  50.009 -10.356  23.382
   27    H    GLY   5           HN       GLY   5  47.757 -10.218  23.006
   28    HA2  GLY   5           HA2      GLY   5  46.231 -11.873  21.354
   29    HA3  GLY   5           HA1      GLY   5  46.400 -12.702  22.899
   30    H    ASP   6           HN       ASP   6  45.616  -9.461  21.622
   31    HA   ASP   6           HA       ASP   6  43.236  -9.385  23.312
   32    HB2  ASP   6           HB2      ASP   6  45.288  -7.170  23.462
   33    HB3  ASP   6           HB1      ASP   6  43.800  -7.316  24.396
   34    H    PHE   7           HN       PHE   7  43.022  -9.660  20.706
   35    HA   PHE   7           HA       PHE   7  42.287  -8.731  18.730
   36    HB2  PHE   7           HB2      PHE   7  41.217  -6.555  20.536
   37    HB3  PHE   7           HB1      PHE   7  40.576  -7.067  18.975
   38    HD1  PHE   7           HD1      PHE   7  39.770  -9.505  18.751
   39    HD2  PHE   7           HD2      PHE   7  40.485  -7.585  22.526
   40    HE1  PHE   7           HE1      PHE   7  38.368 -11.209  19.883
   41    HE2  PHE   7           HE2      PHE   7  39.082  -9.289  23.658
   42    HZ   PHE   7           HZ       PHE   7  38.025 -11.101  22.336
   43    H    ASP   8           HN       ASP   8  44.936  -8.144  19.172
   44    HA   ASP   8           HA       ASP   8  45.387  -5.298  18.856
   45    HB2  ASP   8           HB2      ASP   8  47.782  -6.147  18.410
   46    HB3  ASP   8           HB1      ASP   8  47.115  -6.380  20.025
   47    H    ASN   9           HN       ASN   9  43.708  -5.790  16.899
   48    HA   ASN   9           HA       ASN   9  44.669  -6.812  14.474
   49    HB2  ASN   9           HB2      ASN   9  42.410  -5.231  15.370
   50    HB3  ASN   9           HB1      ASN   9  42.989  -4.680  13.799
   51   HD21  ASN   9          HD21      ASN   9  41.594  -5.660  12.305
   52   HD22  ASN   9          HD22      ASN   9  41.236  -7.319  12.275
   53    H    TYR  10           HN       TYR  10  45.031  -5.407  12.484
   54    HA   TYR  10           HA       TYR  10  46.404  -3.981  11.334
   55    HB2  TYR  10           HB2      TYR  10  44.808  -2.415  12.692
   56    HB3  TYR  10           HB1      TYR  10  46.268  -2.042  13.608
   57    HD1  TYR  10           HD2      TYR  10  44.894  -2.189  10.138
   58    HD2  TYR  10           HD1      TYR  10  47.897  -0.561  12.743
   59    HE1  TYR  10           HE2      TYR  10  45.649  -0.677   8.323
   60    HE2  TYR  10           HE1      TYR  10  48.652   0.951  10.928
   61    HH   TYR  10           HH       TYR  10  47.119   1.893   8.566
   62    H    TYR  11           HN       TYR  11  48.569  -3.573  11.097
   63    HA   TYR  11           HA       TYR  11  50.798  -4.039  11.522
   64    HB2  TYR  11           HB2      TYR  11  50.236  -1.743  12.579
   65    HB3  TYR  11           HB1      TYR  11  50.340  -2.593  14.120
   66    HD1  TYR  11           HD1      TYR  11  52.223  -1.850  10.987
   67    HD2  TYR  11           HD2      TYR  11  52.439  -3.136  15.080
   68    HE1  TYR  11           HE1      TYR  11  54.696  -1.705  10.903
   69    HE2  TYR  11           HE2      TYR  11  54.913  -2.991  14.995
   70    HH   TYR  11           HH       TYR  11  56.662  -2.127  13.792
   71    H    GLY  12           HN       GLY  12  49.132  -6.174  12.292
   72    HA2  GLY  12           HA2      GLY  12  50.726  -7.903  13.619
   73    HA3  GLY  12           HA1      GLY  12  49.917  -7.063  14.938
   74    H    ALA  13           HN       ALA  13  48.389  -7.638  11.844
   75    HA   ALA  13           HA       ALA  13  46.682  -9.717  13.075
   76    HB1  ALA  13           HB1      ALA  13  44.861  -8.445  12.797
   77    HB2  ALA  13           HB2      ALA  13  45.241  -8.229  11.088
   78    HB3  ALA  13           HB3      ALA  13  45.899  -7.114  12.285
   79    H    ASP  14           HN       ASP  14  48.309  -8.461  10.256
   80    HA   ASP  14           HA       ASP  14  47.344 -10.689   8.603
   81    HB2  ASP  14           HB2      ASP  14  49.100  -8.339   7.858
   82    HB3  ASP  14           HB1      ASP  14  48.402  -9.513   6.744
   83    H    ASN  15           HN       ASN  15  50.161  -9.545  10.297
   84    HA   ASN  15           HA       ASN  15  52.234 -10.884   9.062
   85    HB2  ASN  15           HB2      ASN  15  51.736  -9.732  11.659
   86    HB3  ASN  15           HB1      ASN  15  52.664 -11.221  11.823
   87   HD21  ASN  15          HD21      ASN  15  52.657  -8.059  10.136
   88   HD22  ASN  15          HD22      ASN  15  54.335  -8.020   9.881
   89    H    GLN  16           HN       GLN  16  49.599 -12.185  10.918
   90    HA   GLN  16           HA       GLN  16  50.865 -14.834  11.031
   91    HB2  GLN  16           HB2      GLN  16  49.236 -15.426  12.625
   92    HB3  GLN  16           HB1      GLN  16  49.625 -13.750  13.014
   93    HG2  GLN  16           HG2      GLN  16  47.665 -13.219  11.333
   94    HG3  GLN  16           HG1      GLN  16  47.169 -14.870  11.706
   95   HE21  GLN  16          HE21      GLN  16  47.637 -15.163  14.385
   96   HE22  GLN  16          HE22      GLN  16  46.800 -13.993  15.285
   97    H    SER  17           HN       SER  17  48.643 -13.015   9.182
   98    HA   SER  17           HA       SER  17  47.055 -15.219   8.230
   99    HB2  SER  17           HB2      SER  17  46.086 -13.617   6.713
  100    HB3  SER  17           HB1      SER  17  46.282 -12.829   8.277
  101    HG   SER  17           HG       SER  17  48.445 -12.675   6.557
  102    H    GLU  18           HN       GLU  18  49.858 -13.400   7.055
  103    HA   GLU  18           HA       GLU  18  50.080 -14.361   4.476
  104    HB2  GLU  18           HB2      GLU  18  52.300 -13.660   4.527
  105    HB3  GLU  18           HB1      GLU  18  51.591 -12.712   5.834
  106    HG2  GLU  18           HG2      GLU  18  52.259 -14.729   7.343
  107    HG3  GLU  18           HG1      GLU  18  53.336 -15.158   6.015
  108    H    CYS  19           HN       CYS  19  50.102 -16.163   7.326
  109    HA   CYS  19           HA       CYS  19  51.891 -18.260   6.559
  110    HB2  CYS  19           HB2      CYS  19  51.123 -17.734   8.918
  111    HB3  CYS  19           HB1      CYS  19  49.580 -18.475   8.492
  112    HG   CYS  19           HG       CYS  19  50.939 -20.448   9.386
  113    H    GLU  20           HN       GLU  20  48.518 -17.555   5.991
  114    HA   GLU  20           HA       GLU  20  48.015 -20.218   4.894
  115    HB2  GLU  20           HB2      GLU  20  45.752 -19.674   4.925
  116    HB3  GLU  20           HB1      GLU  20  46.362 -18.752   6.299
  117    HG2  GLU  20           HG2      GLU  20  46.733 -16.851   4.556
  118    HG3  GLU  20           HG1      GLU  20  45.609 -17.768   3.556
  119    H    TYR  21           HN       TYR  21  48.849 -17.030   3.857
  120    HA   TYR  21           HA       TYR  21  47.852 -17.044   1.230
  121    HB2  TYR  21           HB2      TYR  21  48.721 -15.004   2.162
  122    HB3  TYR  21           HB1      TYR  21  50.307 -15.734   2.414
  123    HD1  TYR  21           HD2      TYR  21  51.811 -16.186   0.532
  124    HD2  TYR  21           HD1      TYR  21  47.970 -14.356  -0.068
  125    HE1  TYR  21           HE2      TYR  21  52.484 -15.524  -1.762
  126    HE2  TYR  21           HE1      TYR  21  48.644 -13.693  -2.361
  127    HH   TYR  21           HH       TYR  21  50.710 -14.894  -4.087
  128    H    THR  22           HN       THR  22  50.752 -18.456   2.640
  129    HA   THR  22           HA       THR  22  51.952 -19.166   0.132
  130    HB   THR  22           HB       THR  22  53.454 -20.560   1.544
  131    HG1  THR  22           HG1      THR  22  52.491 -19.591   3.890
  132   HG21  THR  22          HG21      THR  22  52.912 -17.768   2.595
  133   HG22  THR  22          HG22      THR  22  53.927 -18.168   1.208
  134   HG23  THR  22          HG23      THR  22  54.406 -18.676   2.828
  135    H    ASP  23           HN       ASP  23  49.502 -20.523   2.139
  136    HA   ASP  23           HA       ASP  23  49.752 -23.186   0.956
  137    HB2  ASP  23           HB2      ASP  23  48.936 -22.347   3.430
  138    HB3  ASP  23           HB1      ASP  23  47.394 -22.600   2.614
  139    H    TRP  24           HN       TRP  24  47.258 -20.644   1.223
  140    HA   TRP  24           HA       TRP  24  45.264 -21.653  -0.332
  141    HB2  TRP  24           HB2      TRP  24  44.682 -19.574   0.415
  142    HB3  TRP  24           HB1      TRP  24  46.294 -18.909   0.151
  143    HD1  TRP  24           HD1      TRP  24  43.085 -19.814  -1.749
  144    HE1  TRP  24           HE1      TRP  24  43.039 -18.485  -3.957
  145    HE3  TRP  24           HE3      TRP  24  47.710 -17.653  -1.577
  146    HZ2  TRP  24           HZ2      TRP  24  44.737 -16.735  -5.452
  147    HZ3  TRP  24           HZ3      TRP  24  48.468 -16.161  -3.403
  148    HH2  TRP  24           HH2      TRP  24  46.990 -15.699  -5.340
  149    H    LYS  25           HN       LYS  25  48.134 -19.918  -1.541
  150    HA   LYS  25           HA       LYS  25  47.537 -20.042  -4.271
  151    HB2  LYS  25           HB2      LYS  25  49.409 -18.741  -3.140
  152    HB3  LYS  25           HB1      LYS  25  50.321 -20.251  -3.123
  153    HG2  LYS  25           HG2      LYS  25  50.119 -20.424  -5.566
  154    HG3  LYS  25           HG1      LYS  25  49.166 -18.940  -5.602
  155    HD2  LYS  25           HD2      LYS  25  51.489 -18.306  -4.140
  156    HD3  LYS  25           HD1      LYS  25  52.043 -19.249  -5.525
  157    HE2  LYS  25           HE2      LYS  25  50.805 -17.766  -7.047
  158    HE3  LYS  25           HE1      LYS  25  50.212 -16.834  -5.672
  159    HZ1  LYS  25           HZ1      LYS  25  52.673 -16.607  -7.028
  160    HZ2  LYS  25           HZ2      LYS  25  52.967 -17.009  -5.404
  161    HZ3  LYS  25           HZ3      LYS  25  52.049 -15.631  -5.790
  162    H    SER  26           HN       SER  26  48.847 -22.451  -2.096
  163    HA   SER  26           HA       SER  26  49.619 -24.260  -4.223
  164    HB2  SER  26           HB2      SER  26  49.327 -24.857  -1.274
  165    HB3  SER  26           HB1      SER  26  50.251 -25.771  -2.463
  166    HG   SER  26           HG       SER  26  51.010 -23.221  -2.560
  167    H    SER  27           HN       SER  27  47.076 -24.158  -1.728
  168    HA   SER  27           HA       SER  27  45.735 -26.469  -2.847
  169    HB2  SER  27           HB2      SER  27  44.462 -24.638  -0.849
  170    HB3  SER  27           HB1      SER  27  44.352 -26.391  -0.987
  171    HG   SER  27           HG       SER  27  46.302 -24.788   0.187
  172    H    GLY  28           HN       GLY  28  45.968 -23.345  -3.818
  173    HA2  GLY  28           HA2      GLY  28  43.175 -22.921  -4.531
  174    HA3  GLY  28           HA1      GLY  28  44.520 -21.838  -4.874
  175    H    ALA  29           HN       ALA  29  45.378 -24.958  -5.696
  176    HA   ALA  29           HA       ALA  29  44.873 -24.400  -8.542
  177    HB1  ALA  29           HB1      ALA  29  46.985 -25.087  -8.815
  178    HB2  ALA  29           HB2      ALA  29  46.534 -26.680  -8.206
  179    HB3  ALA  29           HB3      ALA  29  47.108 -25.440  -7.091
  180    H    LEU  30           HN       LEU  30  43.533 -26.103  -6.046
  181    HA   LEU  30           HA       LEU  30  42.334 -28.063  -7.906
  182    HB2  LEU  30           HB2      LEU  30  42.319 -29.730  -6.118
  183    HB3  LEU  30           HB1      LEU  30  43.970 -29.196  -6.439
  184    HG   LEU  30           HG       LEU  30  43.103 -27.383  -4.539
  185   HD11  LEU  30          HD11      LEU  30  42.116 -28.749  -2.740
  186   HD12  LEU  30          HD12      LEU  30  42.073 -30.145  -3.818
  187   HD13  LEU  30          HD13      LEU  30  41.068 -28.736  -4.158
  188   HD21  LEU  30          HD21      LEU  30  44.582 -30.011  -4.202
  189   HD22  LEU  30          HD22      LEU  30  44.560 -28.722  -3.000
  190   HD23  LEU  30          HD23      LEU  30  45.297 -28.444  -4.577
  191    H    ILE  31           HN       ILE  31  41.860 -25.495  -5.845
  192    HA   ILE  31           HA       ILE  31  39.339 -26.314  -4.713
  193    HB   ILE  31           HB       ILE  31  40.947 -23.787  -4.709
  194   HG12  ILE  31          HG12      ILE  31  39.597 -25.313  -2.471
  195   HG13  ILE  31          HG11      ILE  31  41.209 -25.719  -3.064
  196   HG21  ILE  31          HG21      ILE  31  38.000 -24.081  -4.125
  197   HG22  ILE  31          HG22      ILE  31  38.815 -22.824  -5.060
  198   HG23  ILE  31          HG23      ILE  31  38.977 -22.864  -3.304
  199   HD11  ILE  31          HD11      ILE  31  42.072 -23.568  -2.453
  200   HD12  ILE  31          HD12      ILE  31  41.154 -24.148  -1.063
  201   HD13  ILE  31          HD13      ILE  31  40.455 -22.938  -2.139
  202    HA   PRO  32           HA       PRO  32  37.863 -23.258  -8.271
  203    HB2  PRO  32           HB2      PRO  32  39.538 -24.374 -10.452
  204    HB3  PRO  32           HB1      PRO  32  39.098 -22.690 -10.116
  205    HG2  PRO  32           HG2      PRO  32  41.559 -23.620  -9.670
  206    HG3  PRO  32           HG1      PRO  32  40.813 -22.394  -8.631
  207    HD2  PRO  32           HD2      PRO  32  41.218 -25.315  -8.110
  208    HD3  PRO  32           HD1      PRO  32  41.292 -23.945  -6.981
  209    H    ALA  33           HN       ALA  33  38.819 -26.597  -8.426
  210    HA   ALA  33           HA       ALA  33  37.116 -27.545 -10.443
  211    HB1  ALA  33           HB1      ALA  33  38.382 -29.319  -9.870
  212    HB2  ALA  33           HB2      ALA  33  37.203 -29.594  -8.587
  213    HB3  ALA  33           HB3      ALA  33  38.677 -28.686  -8.251
  214    H    ILE  34           HN       ILE  34  36.563 -27.963  -6.941
  215    HA   ILE  34           HA       ILE  34  33.883 -28.664  -7.089
  216    HB   ILE  34           HB       ILE  34  35.558 -27.368  -4.963
  217   HG12  ILE  34          HG12      ILE  34  35.129 -29.486  -3.828
  218   HG13  ILE  34          HG11      ILE  34  33.978 -29.957  -5.078
  219   HG21  ILE  34          HG21      ILE  34  32.560 -27.697  -5.005
  220   HG22  ILE  34          HG22      ILE  34  33.510 -26.313  -4.464
  221   HG23  ILE  34          HG23      ILE  34  33.455 -27.781  -3.488
  222   HD11  ILE  34          HD11      ILE  34  36.313 -30.951  -5.310
  223   HD12  ILE  34          HD12      ILE  34  36.873 -29.321  -5.682
  224   HD13  ILE  34          HD13      ILE  34  35.699 -30.111  -6.735
  225    H    TYR  35           HN       TYR  35  35.295 -25.423  -6.669
  226    HA   TYR  35           HA       TYR  35  33.034 -23.889  -6.401
  227    HB2  TYR  35           HB2      TYR  35  35.759 -23.461  -7.253
  228    HB3  TYR  35           HB1      TYR  35  34.657 -22.464  -8.203
  229    HD1  TYR  35           HD1      TYR  35  35.447 -23.458  -4.683
  230    HD2  TYR  35           HD2      TYR  35  33.743 -20.499  -7.288
  231    HE1  TYR  35           HE1      TYR  35  35.178 -21.917  -2.758
  232    HE2  TYR  35           HE2      TYR  35  33.474 -18.958  -5.364
  233    HH   TYR  35           HH       TYR  35  34.812 -18.784  -2.951
  234    H    MET  36           HN       MET  36  34.613 -24.582  -9.532
  235    HA   MET  36           HA       MET  36  32.563 -23.557 -11.146
  236    HB2  MET  36           HB2      MET  36  34.855 -25.416 -11.553
  237    HB3  MET  36           HB1      MET  36  33.602 -25.376 -12.794
  238    HG2  MET  36           HG2      MET  36  34.919 -22.876 -11.713
  239    HG3  MET  36           HG1      MET  36  35.513 -23.734 -13.135
  240    HE1  MET  36           HE1      MET  36  34.390 -20.746 -12.562
  241    HE2  MET  36           HE2      MET  36  32.959 -21.268 -11.676
  242    HE3  MET  36           HE3      MET  36  32.775 -20.402 -13.198
  243    H    LEU  37           HN       LEU  37  33.284 -26.995 -10.486
  244    HA   LEU  37           HA       LEU  37  31.073 -28.137 -11.668
  245    HB2  LEU  37           HB2      LEU  37  33.091 -29.238 -10.456
  246    HB3  LEU  37           HB1      LEU  37  32.067 -29.155  -9.022
  247    HG   LEU  37           HG       LEU  37  30.289 -30.166 -10.796
  248   HD11  LEU  37          HD11      LEU  37  31.408 -31.842 -12.185
  249   HD12  LEU  37          HD12      LEU  37  32.982 -31.323 -11.581
  250   HD13  LEU  37          HD13      LEU  37  32.020 -30.238 -12.585
  251   HD21  LEU  37          HD21      LEU  37  30.807 -31.112  -8.594
  252   HD22  LEU  37          HD22      LEU  37  32.352 -31.714  -9.194
  253   HD23  LEU  37          HD23      LEU  37  30.843 -32.387  -9.810
  254    H    VAL  38           HN       VAL  38  31.098 -25.983  -9.069
  255    HA   VAL  38           HA       VAL  38  28.379 -26.805  -8.239
  256    HB   VAL  38           HB       VAL  38  30.574 -25.397  -6.717
  257   HG11  VAL  38          HG11      VAL  38  28.752 -25.457  -4.863
  258   HG12  VAL  38          HG12      VAL  38  27.610 -25.587  -6.202
  259   HG13  VAL  38          HG13      VAL  38  28.663 -24.178  -6.074
  260   HG21  VAL  38          HG21      VAL  38  28.960 -27.912  -6.182
  261   HG22  VAL  38          HG22      VAL  38  30.254 -27.280  -5.164
  262   HG23  VAL  38          HG23      VAL  38  30.618 -27.877  -6.782
  263    H    PHE  39           HN       PHE  39  30.222 -24.446  -9.833
  264    HA   PHE  39           HA       PHE  39  28.281 -22.304  -9.332
  265    HB2  PHE  39           HB2      PHE  39  30.827 -21.954  -9.362
  266    HB3  PHE  39           HB1      PHE  39  30.705 -22.125 -11.114
  267    HD1  PHE  39           HD2      PHE  39  29.223 -20.242  -8.235
  268    HD2  PHE  39           HD1      PHE  39  30.116 -20.278 -12.437
  269    HE1  PHE  39           HE2      PHE  39  28.475 -17.884  -8.414
  270    HE2  PHE  39           HE1      PHE  39  29.367 -17.921 -12.616
  271    HZ   PHE  39           HZ       PHE  39  28.547 -16.724 -10.604
  272    H    LEU  40           HN       LEU  40  28.936 -24.775 -11.585
  273    HA   LEU  40           HA       LEU  40  27.297 -23.429 -13.646
  274    HB2  LEU  40           HB2      LEU  40  28.312 -24.989 -15.247
  275    HB3  LEU  40           HB1      LEU  40  29.549 -24.056 -14.406
  276    HG   LEU  40           HG       LEU  40  29.221 -26.236 -12.744
  277   HD11  LEU  40          HD11      LEU  40  29.321 -28.209 -14.222
  278   HD12  LEU  40          HD12      LEU  40  29.088 -27.172 -15.629
  279   HD13  LEU  40          HD13      LEU  40  27.799 -27.345 -14.439
  280   HD21  LEU  40          HD21      LEU  40  31.403 -26.955 -13.669
  281   HD22  LEU  40          HD22      LEU  40  31.353 -25.206 -13.452
  282   HD23  LEU  40          HD23      LEU  40  31.157 -25.902 -15.061
  283    H    LEU  41           HN       LEU  41  26.985 -25.505 -11.162
  284    HA   LEU  41           HA       LEU  41  25.160 -27.339 -12.573
  285    HB2  LEU  41           HB2      LEU  41  26.975 -27.626 -10.344
  286    HB3  LEU  41           HB1      LEU  41  25.341 -28.089  -9.872
  287    HG   LEU  41           HG       LEU  41  26.741 -29.100 -12.364
  288   HD11  LEU  41          HD11      LEU  41  26.584 -30.137  -9.551
  289   HD12  LEU  41          HD12      LEU  41  27.948 -30.149 -10.669
  290   HD13  LEU  41          HD13      LEU  41  26.617 -31.283 -10.892
  291   HD21  LEU  41          HD21      LEU  41  24.721 -29.944 -12.908
  292   HD22  LEU  41          HD22      LEU  41  24.021 -29.104 -11.525
  293   HD23  LEU  41          HD23      LEU  41  24.618 -30.754 -11.345
  294    H    GLY  42           HN       GLY  42  25.239 -25.724  -9.382
  295    HA2  GLY  42           HA2      GLY  42  22.307 -25.506  -9.502
  296    HA3  GLY  42           HA1      GLY  42  23.289 -25.385  -8.047
  297    H    THR  43           HN       THR  43  24.689 -23.651 -10.584
  298    HA   THR  43           HA       THR  43  23.314 -21.156  -9.794
  299    HB   THR  43           HB       THR  43  26.152 -20.803 -10.388
  300    HG1  THR  43           HG1      THR  43  25.652 -22.913  -9.038
  301   HG21  THR  43          HG21      THR  43  24.560 -20.121  -7.910
  302   HG22  THR  43          HG22      THR  43  24.495 -19.158  -9.386
  303   HG23  THR  43          HG23      THR  43  26.016 -19.325  -8.510
  304    H    THR  44           HN       THR  44  23.010 -22.878 -12.136
  305    HA   THR  44           HA       THR  44  23.614 -20.853 -14.185
  306    HB   THR  44           HB       THR  44  24.400 -23.747 -14.208
  307    HG1  THR  44           HG1      THR  44  25.692 -21.663 -15.534
  308   HG21  THR  44          HG21      THR  44  23.483 -22.088 -16.551
  309   HG22  THR  44          HG22      THR  44  23.077 -23.760 -16.158
  310   HG23  THR  44          HG23      THR  44  24.687 -23.360 -16.755
  311    H    GLY  45           HN       GLY  45  21.896 -23.886 -13.458
  312    HA2  GLY  45           HA2      GLY  45  19.732 -23.053 -15.282
  313    HA3  GLY  45           HA1      GLY  45  20.007 -24.694 -14.704
  314    H    ASN  46           HN       ASN  46  20.541 -22.798 -12.100
  315    HA   ASN  46           HA       ASN  46  17.853 -23.308 -11.045
  316    HB2  ASN  46           HB2      ASN  46  20.556 -23.137  -9.931
  317    HB3  ASN  46           HB1      ASN  46  19.352 -22.276  -8.973
  318   HD21  ASN  46          HD21      ASN  46  20.413 -25.457 -10.025
  319   HD22  ASN  46          HD22      ASN  46  19.301 -26.338  -9.095
  320    H    GLY  47           HN       GLY  47  20.230 -20.653 -11.193
  321    HA2  GLY  47           HA2      GLY  47  18.503 -18.665 -10.141
  322    HA3  GLY  47           HA1      GLY  47  19.972 -18.369 -11.067
  323    H    LEU  48           HN       LEU  48  19.349 -19.580 -13.476
  324    HA   LEU  48           HA       LEU  48  17.898 -17.589 -14.807
  325    HB2  LEU  48           HB2      LEU  48  19.544 -19.151 -15.869
  326    HB3  LEU  48           HB1      LEU  48  18.344 -20.433 -15.741
  327    HG   LEU  48           HG       LEU  48  16.766 -19.054 -17.098
  328   HD11  LEU  48          HD11      LEU  48  17.321 -16.820 -16.946
  329   HD12  LEU  48          HD12      LEU  48  18.172 -17.211 -18.441
  330   HD13  LEU  48          HD13      LEU  48  19.056 -17.140 -16.917
  331   HD21  LEU  48          HD21      LEU  48  18.782 -19.027 -19.075
  332   HD22  LEU  48          HD22      LEU  48  17.632 -20.323 -18.744
  333   HD23  LEU  48          HD23      LEU  48  19.214 -20.328 -17.965
  334    H    VAL  49           HN       VAL  49  16.913 -20.883 -13.872
  335    HA   VAL  49           HA       VAL  49  14.298 -20.778 -14.889
  336    HB   VAL  49           HB       VAL  49  15.611 -22.363 -12.697
  337   HG11  VAL  49          HG11      VAL  49  13.448 -22.255 -11.796
  338   HG12  VAL  49          HG12      VAL  49  13.356 -23.687 -12.823
  339   HG13  VAL  49          HG13      VAL  49  12.688 -22.154 -13.385
  340   HG21  VAL  49          HG21      VAL  49  15.796 -22.707 -15.302
  341   HG22  VAL  49          HG22      VAL  49  14.188 -23.409 -15.130
  342   HG23  VAL  49          HG23      VAL  49  15.551 -24.105 -14.254
  343    H    LEU  50           HN       LEU  50  15.130 -20.633 -11.423
  344    HA   LEU  50           HA       LEU  50  12.768 -19.719 -10.413
  345    HB2  LEU  50           HB2      LEU  50  15.602 -19.079  -9.611
  346    HB3  LEU  50           HB1      LEU  50  14.221 -18.472  -8.698
  347    HG   LEU  50           HG       LEU  50  14.259 -21.379  -9.380
  348   HD11  LEU  50          HD11      LEU  50  16.144 -19.992  -7.498
  349   HD12  LEU  50          HD12      LEU  50  16.442 -21.367  -8.561
  350   HD13  LEU  50          HD13      LEU  50  15.520 -21.586  -7.074
  351   HD21  LEU  50          HD21      LEU  50  13.583 -20.046  -6.759
  352   HD22  LEU  50          HD22      LEU  50  12.957 -21.557  -7.418
  353   HD23  LEU  50          HD23      LEU  50  12.445 -20.017  -8.106
  354    H    TRP  51           HN       TRP  51  15.133 -17.899 -12.236
  355    HA   TRP  51           HA       TRP  51  13.978 -15.322 -11.661
  356    HB2  TRP  51           HB2      TRP  51  16.325 -15.430 -12.225
  357    HB3  TRP  51           HB1      TRP  51  15.964 -16.234 -13.752
  358    HD1  TRP  51           HD1      TRP  51  15.690 -12.847 -12.004
  359    HE1  TRP  51           HE1      TRP  51  15.303 -11.025 -13.786
  360    HE3  TRP  51           HE3      TRP  51  15.063 -15.775 -16.140
  361    HZ2  TRP  51           HZ2      TRP  51  14.794 -10.834 -16.594
  362    HZ3  TRP  51           HZ3      TRP  51  14.628 -14.750 -18.352
  363    HH2  TRP  51           HH2      TRP  51  14.493 -12.284 -18.585
  364    H    THR  52           HN       THR  52  14.036 -17.470 -14.506
  365    HA   THR  52           HA       THR  52  12.376 -15.910 -16.151
  366    HB   THR  52           HB       THR  52  12.878 -18.889 -16.063
  367    HG1  THR  52           HG1      THR  52  14.612 -17.537 -16.658
  368   HG21  THR  52          HG21      THR  52  10.828 -18.817 -17.175
  369   HG22  THR  52          HG22      THR  52  11.966 -18.626 -18.508
  370   HG23  THR  52          HG23      THR  52  11.137 -17.217 -17.849
  371    H    VAL  53           HN       VAL  53  11.598 -18.503 -13.854
  372    HA   VAL  53           HA       VAL  53   8.820 -18.559 -14.372
  373    HB   VAL  53           HB       VAL  53  10.469 -19.403 -11.989
  374   HG11  VAL  53          HG11      VAL  53   7.489 -19.495 -12.458
  375   HG12  VAL  53          HG12      VAL  53   8.357 -18.953 -11.022
  376   HG13  VAL  53          HG13      VAL  53   8.289 -20.671 -11.415
  377   HG21  VAL  53          HG21      VAL  53  10.478 -21.482 -12.963
  378   HG22  VAL  53          HG22      VAL  53  10.276 -20.536 -14.438
  379   HG23  VAL  53          HG23      VAL  53   8.873 -21.274 -13.664
  380    H    PHE  54           HN       PHE  54  10.729 -16.922 -11.851
  381    HA   PHE  54           HA       PHE  54   8.712 -15.739 -10.391
  382    HB2  PHE  54           HB2      PHE  54  11.534 -15.061 -10.991
  383    HB3  PHE  54           HB1      PHE  54  10.535 -13.750 -10.365
  384    HD1  PHE  54           HD2      PHE  54  10.322 -17.414  -9.674
  385    HD2  PHE  54           HD1      PHE  54  11.202 -13.511  -8.113
  386    HE1  PHE  54           HE2      PHE  54  10.498 -18.367  -7.392
  387    HE2  PHE  54           HE1      PHE  54  11.378 -14.464  -5.831
  388    HZ   PHE  54           HZ       PHE  54  11.027 -16.892  -5.470
  389    H    ARG  55           HN       ARG  55   9.399 -15.279 -13.670
  390    HA   ARG  55           HA       ARG  55   8.061 -12.652 -13.732
  391    HB2  ARG  55           HB2      ARG  55   9.684 -14.115 -15.825
  392    HB3  ARG  55           HB1      ARG  55   8.869 -12.575 -16.095
  393    HG2  ARG  55           HG2      ARG  55  10.159 -11.635 -14.146
  394    HG3  ARG  55           HG1      ARG  55  11.074 -13.143 -14.095
  395    HD2  ARG  55           HD2      ARG  55  11.069 -11.006 -16.202
  396    HD3  ARG  55           HD1      ARG  55  12.437 -11.813 -15.442
  397    HE   ARG  55           HE       ARG  55  11.235 -13.838 -16.784
  398   HH11  ARG  55          HH21      ARG  55  12.178 -10.621 -17.642
  399   HH12  ARG  55          HH22      ARG  55  12.483 -11.006 -19.303
  400   HH21  ARG  55          HH11      ARG  55  11.632 -14.350 -18.961
  401   HH22  ARG  55          HH12      ARG  55  12.174 -13.117 -20.050
  402    H    LYS  56           HN       LYS  56   7.661 -15.998 -14.500
  403    HA   LYS  56           HA       LYS  56   5.361 -15.460 -16.234
  404    HB2  LYS  56           HB2      LYS  56   5.620 -17.567 -17.061
  405    HB3  LYS  56           HB1      LYS  56   7.255 -17.359 -16.438
  406    HG2  LYS  56           HG2      LYS  56   6.398 -18.378 -14.246
  407    HG3  LYS  56           HG1      LYS  56   4.945 -18.831 -15.137
  408    HD2  LYS  56           HD2      LYS  56   7.696 -19.590 -16.138
  409    HD3  LYS  56           HD1      LYS  56   6.826 -20.588 -14.977
  410    HE2  LYS  56           HE2      LYS  56   4.895 -20.681 -16.559
  411    HE3  LYS  56           HE1      LYS  56   5.859 -19.790 -17.737
  412    HZ1  LYS  56           HZ1      LYS  56   6.778 -22.323 -16.512
  413    HZ2  LYS  56           HZ2      LYS  56   7.403 -21.535 -17.882
  414    HZ3  LYS  56           HZ3      LYS  56   5.877 -22.280 -17.949
  415    H    LYS  57           HN       LYS  57   6.152 -16.529 -13.012
  416    HA   LYS  57           HA       LYS  57   3.325 -17.160 -12.473
  417    HB2  LYS  57           HB2      LYS  57   5.406 -18.638 -11.793
  418    HB3  LYS  57           HB1      LYS  57   5.488 -17.512 -10.438
  419    HG2  LYS  57           HG2      LYS  57   2.876 -17.999 -10.327
  420    HG3  LYS  57           HG1      LYS  57   3.358 -19.496 -11.127
  421    HD2  LYS  57           HD2      LYS  57   5.021 -19.900  -9.328
  422    HD3  LYS  57           HD1      LYS  57   4.473 -18.434  -8.514
  423    HE2  LYS  57           HE2      LYS  57   2.754 -19.546  -7.580
  424    HE3  LYS  57           HE1      LYS  57   2.198 -20.078  -9.166
  425    HZ1  LYS  57           HZ1      LYS  57   3.191 -21.694  -7.248
  426    HZ2  LYS  57           HZ2      LYS  57   4.552 -21.448  -8.235
  427    HZ3  LYS  57           HZ3      LYS  57   3.121 -22.077  -8.899
  428    H    GLY  58           HN       GLY  58   5.603 -14.676 -12.155
  429    HA2  GLY  58           HA2      GLY  58   4.493 -13.520  -9.730
  430    HA3  GLY  58           HA1      GLY  58   5.759 -12.826 -10.740
  431    H    HIS  59           HN       HIS  59   4.175 -13.159 -13.201
  432    HA   HIS  59           HA       HIS  59   2.969 -10.635 -13.336
  433    HB2  HIS  59           HB2      HIS  59   3.123 -13.025 -15.054
  434    HB3  HIS  59           HB1      HIS  59   1.706 -12.012 -15.326
  435    HD2  HIS  59           HD2      HIS  59   4.932 -12.154 -16.960
  436    HE1  HIS  59           HE1      HIS  59   4.442  -8.000 -16.384
  437    HE2  HIS  59           HE2      HIS  59   5.759  -9.772 -17.639
  438    H    HIS  60           HN       HIS  60   1.832 -13.516 -11.929
  439    HA   HIS  60           HA       HIS  60  -0.990 -12.782 -12.179
  440    HB2  HIS  60           HB2      HIS  60   0.362 -15.219 -11.948
  441    HB3  HIS  60           HB1      HIS  60  -0.439 -14.999 -10.392
  442    HD2  HIS  60           HD2      HIS  60  -1.356 -16.386 -13.754
  443    HE1  HIS  60           HE1      HIS  60  -4.992 -14.922 -12.188
  444    HE2  HIS  60           HE2      HIS  60  -3.956 -16.368 -13.999
  445    H    HIS  61           HN       HIS  61   1.221 -11.376 -10.523
  446    HA   HIS  61           HA       HIS  61   0.061 -11.596  -7.840
  447    HB2  HIS  61           HB2      HIS  61   2.607 -11.458  -8.420
  448    HB3  HIS  61           HB1      HIS  61   2.294  -9.729  -8.569
  449    HD2  HIS  61           HD2      HIS  61   1.998 -12.517  -5.755
  450    HE1  HIS  61           HE1      HIS  61   2.072  -8.716  -3.920
  451    HE2  HIS  61           HE2      HIS  61   2.061 -11.218  -3.491
  452    H    HIS  62           HN       HIS  62  -1.575 -10.486  -9.909
  453    HA   HIS  62           HA       HIS  62  -3.115  -8.769 -10.031
  454    HB2  HIS  62           HB2      HIS  62  -2.415  -8.605  -7.461
  455    HB3  HIS  62           HB1      HIS  62  -1.688  -7.099  -8.018
  456    HD2  HIS  62           HD2      HIS  62  -4.102  -6.289 -10.196
  457    HE1  HIS  62           HE1      HIS  62  -6.597  -6.407  -6.793
  458    HE2  HIS  62           HE2      HIS  62  -6.403  -5.579  -9.185
  459    H    HIS  63           HN       HIS  63  -0.003  -7.228  -9.184
  460    HA   HIS  63           HA       HIS  63  -0.300  -5.213 -11.201
  461    HB2  HIS  63           HB2      HIS  63   2.081  -6.035  -9.521
  462    HB3  HIS  63           HB1      HIS  63   2.039  -4.617 -10.569
  463    HD2  HIS  63           HD2      HIS  63   1.762  -2.566  -8.710
  464    HE1  HIS  63           HE1      HIS  63  -1.499  -4.184  -6.571
  465    HE2  HIS  63           HE2      HIS  63   0.005  -2.154  -6.823
  466    H    HIS  64           HN       HIS  64  -0.670  -7.443 -12.606
  467    HA   HIS  64           HA       HIS  64   1.335  -8.941 -13.664
  468    HB2  HIS  64           HB2      HIS  64   0.076  -8.647 -15.910
  469    HB3  HIS  64           HB1      HIS  64  -0.803  -9.340 -14.547
  470    HD2  HIS  64           HD2      HIS  64  -3.200  -8.157 -15.747
  471    HE1  HIS  64           HE1      HIS  64  -2.164  -4.222 -14.623
  472    HE2  HIS  64           HE2      HIS  64  -4.037  -5.696 -15.499
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  43.545  -5.177   6.947
    2    H2   MET   1           HT2      MET   1  42.357  -6.325   7.346
    3    H3   MET   1           HT3      MET   1  43.502  -5.846   8.505
    4    HA   MET   1           HA       MET   1  41.744  -4.591   9.181
    5    HB2  MET   1           HB2      MET   1  43.685  -3.136   8.511
    6    HB3  MET   1           HB1      MET   1  42.888  -2.872   6.961
    7    HG2  MET   1           HG2      MET   1  40.922  -2.396   8.931
    8    HG3  MET   1           HG1      MET   1  42.382  -1.583   9.495
    9    HE1  MET   1           HE1      MET   1  42.577   1.022   8.816
   10    HE2  MET   1           HE2      MET   1  41.077   0.399   9.497
   11    HE3  MET   1           HE3      MET   1  41.020   1.535   8.152
   12    H    GLU   2           HN       GLU   2  40.011  -5.979   8.336
   13    HA   GLU   2           HA       GLU   2  38.399  -4.522   6.359
   14    HB2  GLU   2           HB2      GLU   2  39.461  -7.279   6.082
   15    HB3  GLU   2           HB1      GLU   2  37.769  -7.042   5.641
   16    HG2  GLU   2           HG2      GLU   2  39.890  -5.151   4.642
   17    HG3  GLU   2           HG1      GLU   2  39.585  -6.677   3.811
   18    H    GLU   3           HN       GLU   3  36.762  -3.919   7.662
   19    HA   GLU   3           HA       GLU   3  35.812  -5.233   9.926
   20    HB2  GLU   3           HB2      GLU   3  34.259  -3.482   8.004
   21    HB3  GLU   3           HB1      GLU   3  33.777  -3.877   9.654
   22    HG2  GLU   3           HG2      GLU   3  36.020  -2.904  10.395
   23    HG3  GLU   3           HG1      GLU   3  36.175  -2.268   8.758
   24    H    GLY   4           HN       GLY   4  34.885  -7.156  10.145
   25    HA2  GLY   4           HA2      GLY   4  32.752  -8.010   8.391
   26    HA3  GLY   4           HA1      GLY   4  34.217  -8.977   8.243
   27    H    GLY   5           HN       GLY   5  31.398  -8.375  10.080
   28    HA2  GLY   5           HA2      GLY   5  30.482 -10.003  11.560
   29    HA3  GLY   5           HA1      GLY   5  32.113 -10.568  11.905
   30    H    ASP   6           HN       ASP   6  31.678 -10.411  14.163
   31    HA   ASP   6           HA       ASP   6  32.478  -7.942  15.326
   32    HB2  ASP   6           HB2      ASP   6  30.129  -7.354  14.798
   33    HB3  ASP   6           HB1      ASP   6  29.587  -8.724  15.767
   34    H    PHE   7           HN       PHE   7  33.632 -10.317  15.616
   35    HA   PHE   7           HA       PHE   7  33.189 -10.912  18.437
   36    HB2  PHE   7           HB2      PHE   7  33.529 -13.453  17.297
   37    HB3  PHE   7           HB1      PHE   7  32.070 -12.818  18.057
   38    HD1  PHE   7           HD1      PHE   7  30.303 -11.737  16.689
   39    HD2  PHE   7           HD2      PHE   7  33.736 -13.596  14.897
   40    HE1  PHE   7           HE1      PHE   7  29.153 -11.744  14.491
   41    HE2  PHE   7           HE2      PHE   7  32.586 -13.604  12.700
   42    HZ   PHE   7           HZ       PHE   7  30.294 -12.678  12.497
   43    H    ASP   8           HN       ASP   8  35.199 -10.285  19.045
   44    HA   ASP   8           HA       ASP   8  37.511 -10.135  19.080
   45    HB2  ASP   8           HB2      ASP   8  38.521 -12.192  19.587
   46    HB3  ASP   8           HB1      ASP   8  36.834 -12.434  20.040
   47    H    ASN   9           HN       ASN   9  36.152 -10.027  16.362
   48    HA   ASN   9           HA       ASN   9  37.555 -11.293  14.356
   49    HB2  ASN   9           HB2      ASN   9  35.678  -9.917  13.793
   50    HB3  ASN   9           HB1      ASN   9  36.451  -8.483  14.463
   51   HD21  ASN   9          HD21      ASN   9  37.810  -7.281  13.078
   52   HD22  ASN   9          HD22      ASN   9  38.231  -7.774  11.509
   53    H    TYR  10           HN       TYR  10  38.255  -7.910  14.336
   54    HA   TYR  10           HA       TYR  10  40.844  -8.013  13.521
   55    HB2  TYR  10           HB2      TYR  10  40.171  -5.836  13.579
   56    HB3  TYR  10           HB1      TYR  10  39.269  -6.045  15.080
   57    HD1  TYR  10           HD1      TYR  10  42.706  -5.727  13.675
   58    HD2  TYR  10           HD2      TYR  10  40.237  -5.512  17.183
   59    HE1  TYR  10           HE1      TYR  10  44.603  -4.767  14.952
   60    HE2  TYR  10           HE2      TYR  10  42.134  -4.553  18.460
   61    HH   TYR  10           HH       TYR  10  44.944  -3.372  16.965
   62    H    TYR  11           HN       TYR  11  42.705  -8.751  14.308
   63    HA   TYR  11           HA       TYR  11  44.371  -9.269  15.829
   64    HB2  TYR  11           HB2      TYR  11  43.110  -7.326  17.174
   65    HB3  TYR  11           HB1      TYR  11  42.677  -8.691  18.205
   66    HD1  TYR  11           HD1      TYR  11  45.596  -7.031  16.561
   67    HD2  TYR  11           HD2      TYR  11  44.230  -9.578  19.739
   68    HE1  TYR  11           HE1      TYR  11  47.864  -6.997  17.562
   69    HE2  TYR  11           HE2      TYR  11  46.499  -9.544  20.740
   70    HH   TYR  11           HH       TYR  11  49.066  -7.502  19.404
   71    H    GLY  12           HN       GLY  12  42.541 -11.136  14.791
   72    HA2  GLY  12           HA2      GLY  12  43.067 -13.468  16.019
   73    HA3  GLY  12           HA1      GLY  12  41.692 -12.883  16.952
   74    H    ALA  13           HN       ALA  13  42.035 -12.127  13.575
   75    HA   ALA  13           HA       ALA  13  39.931 -14.094  12.899
   76    HB1  ALA  13           HB1      ALA  13  39.840 -11.198  12.751
   77    HB2  ALA  13           HB2      ALA  13  38.544 -12.371  12.520
   78    HB3  ALA  13           HB3      ALA  13  39.586 -11.931  11.168
   79    H    ASP  14           HN       ASP  14  42.808 -12.354  11.981
   80    HA   ASP  14           HA       ASP  14  42.851 -13.635   9.340
   81    HB2  ASP  14           HB2      ASP  14  44.883 -11.717  10.486
   82    HB3  ASP  14           HB1      ASP  14  44.623 -12.134   8.793
   83    H    ASN  15           HN       ASN  15  44.399 -13.730  12.472
   84    HA   ASN  15           HA       ASN  15  46.772 -15.031  11.976
   85    HB2  ASN  15           HB2      ASN  15  46.270 -14.428  14.219
   86    HB3  ASN  15           HB1      ASN  15  44.785 -15.379  14.220
   87   HD21  ASN  15          HD21      ASN  15  44.956 -17.665  14.599
   88   HD22  ASN  15          HD22      ASN  15  46.422 -18.413  15.014
   89    H    GLN  16           HN       GLN  16  43.523 -16.281  11.730
   90    HA   GLN  16           HA       GLN  16  44.340 -19.049  11.566
   91    HB2  GLN  16           HB2      GLN  16  41.977 -19.464  11.004
   92    HB3  GLN  16           HB1      GLN  16  42.126 -18.456  12.443
   93    HG2  GLN  16           HG2      GLN  16  40.732 -17.015  11.400
   94    HG3  GLN  16           HG1      GLN  16  42.111 -16.604  10.382
   95   HE21  GLN  16          HE21      GLN  16  39.089 -16.897   9.775
   96   HE22  GLN  16          HE22      GLN  16  39.053 -17.927   8.428
   97    H    SER  17           HN       SER  17  43.715 -16.410   9.359
   98    HA   SER  17           HA       SER  17  43.517 -17.987   6.986
   99    HB2  SER  17           HB2      SER  17  42.648 -15.687   7.110
  100    HB3  SER  17           HB1      SER  17  44.286 -15.078   7.324
  101    HG   SER  17           HG       SER  17  43.406 -16.632   5.114
  102    H    GLU  18           HN       GLU  18  46.155 -15.996   8.335
  103    HA   GLU  18           HA       GLU  18  48.123 -16.458   6.473
  104    HB2  GLU  18           HB2      GLU  18  48.611 -16.471   9.456
  105    HB3  GLU  18           HB1      GLU  18  49.727 -15.966   8.187
  106    HG2  GLU  18           HG2      GLU  18  48.029 -14.194   7.548
  107    HG3  GLU  18           HG1      GLU  18  47.153 -14.609   9.019
  108    H    CYS  19           HN       CYS  19  46.585 -18.758   8.450
  109    HA   CYS  19           HA       CYS  19  48.785 -20.672   8.387
  110    HB2  CYS  19           HB2      CYS  19  46.777 -20.285  10.173
  111    HB3  CYS  19           HB1      CYS  19  46.089 -21.578   9.189
  112    HG   CYS  19           HG       CYS  19  48.986 -22.020  10.191
  113    H    GLU  20           HN       GLU  20  45.750 -20.025   6.749
  114    HA   GLU  20           HA       GLU  20  45.927 -22.517   5.226
  115    HB2  GLU  20           HB2      GLU  20  43.881 -20.287   5.132
  116    HB3  GLU  20           HB1      GLU  20  43.766 -21.825   4.276
  117    HG2  GLU  20           HG2      GLU  20  44.332 -22.231   7.098
  118    HG3  GLU  20           HG1      GLU  20  42.856 -21.295   6.871
  119    H    TYR  21           HN       TYR  21  46.400 -19.064   4.853
  120    HA   TYR  21           HA       TYR  21  46.427 -18.800   2.089
  121    HB2  TYR  21           HB2      TYR  21  46.625 -16.851   3.485
  122    HB3  TYR  21           HB1      TYR  21  48.133 -17.444   4.185
  123    HD1  TYR  21           HD1      TYR  21  50.176 -17.667   2.734
  124    HD2  TYR  21           HD2      TYR  21  46.595 -15.716   1.383
  125    HE1  TYR  21           HE1      TYR  21  51.455 -16.590   0.901
  126    HE2  TYR  21           HE2      TYR  21  47.873 -14.639  -0.449
  127    HH   TYR  21           HH       TYR  21  50.418 -15.521  -1.679
  128    H    THR  22           HN       THR  22  48.834 -20.180   4.237
  129    HA   THR  22           HA       THR  22  50.878 -20.361   2.205
  130    HB   THR  22           HB       THR  22  51.729 -22.076   4.097
  131    HG1  THR  22           HG1      THR  22  49.835 -21.908   5.308
  132   HG21  THR  22          HG21      THR  22  51.748 -19.059   4.045
  133   HG22  THR  22          HG22      THR  22  53.021 -20.170   3.539
  134   HG23  THR  22          HG23      THR  22  52.654 -19.970   5.253
  135    H    ASP  23           HN       ASP  23  48.142 -22.204   3.136
  136    HA   ASP  23           HA       ASP  23  49.161 -24.655   1.887
  137    HB2  ASP  23           HB2      ASP  23  46.707 -24.000   3.507
  138    HB3  ASP  23           HB1      ASP  23  46.848 -25.513   2.613
  139    H    TRP  24           HN       TRP  24  46.241 -22.606   1.662
  140    HA   TRP  24           HA       TRP  24  45.021 -23.622  -0.543
  141    HB2  TRP  24           HB2      TRP  24  43.825 -21.823   0.160
  142    HB3  TRP  24           HB1      TRP  24  45.267 -20.907   0.599
  143    HD1  TRP  24           HD1      TRP  24  43.135 -21.843  -2.454
  144    HE1  TRP  24           HE1      TRP  24  43.559 -20.106  -4.312
  145    HE3  TRP  24           HE3      TRP  24  46.884 -19.133  -0.289
  146    HZ2  TRP  24           HZ2      TRP  24  45.263 -17.865  -4.812
  147    HZ3  TRP  24           HZ3      TRP  24  47.888 -17.205  -1.478
  148    HH2  TRP  24           HH2      TRP  24  47.083 -16.567  -3.734
  149    H    LYS  25           HN       LYS  25  47.836 -21.465  -0.533
  150    HA   LYS  25           HA       LYS  25  48.098 -20.946  -3.236
  151    HB2  LYS  25           HB2      LYS  25  49.551 -20.149  -1.255
  152    HB3  LYS  25           HB1      LYS  25  50.484 -21.621  -1.528
  153    HG2  LYS  25           HG2      LYS  25  50.866 -20.962  -3.868
  154    HG3  LYS  25           HG1      LYS  25  49.910 -19.501  -3.620
  155    HD2  LYS  25           HD2      LYS  25  51.515 -18.819  -1.820
  156    HD3  LYS  25           HD1      LYS  25  52.510 -20.217  -2.235
  157    HE2  LYS  25           HE2      LYS  25  52.754 -19.370  -4.537
  158    HE3  LYS  25           HE1      LYS  25  51.754 -17.976  -4.133
  159    HZ1  LYS  25           HZ1      LYS  25  53.478 -16.963  -3.205
  160    HZ2  LYS  25           HZ2      LYS  25  54.474 -18.182  -3.843
  161    HZ3  LYS  25           HZ3      LYS  25  53.868 -18.317  -2.262
  162    H    SER  26           HN       SER  26  48.971 -23.857  -1.444
  163    HA   SER  26           HA       SER  26  49.999 -25.110  -3.890
  164    HB2  SER  26           HB2      SER  26  51.086 -25.257  -1.519
  165    HB3  SER  26           HB1      SER  26  49.846 -26.472  -1.220
  166    HG   SER  26           HG       SER  26  51.703 -27.441  -2.066
  167    H    SER  27           HN       SER  27  47.349 -25.316  -1.587
  168    HA   SER  27           HA       SER  27  46.245 -27.688  -2.873
  169    HB2  SER  27           HB2      SER  27  45.171 -25.964  -0.628
  170    HB3  SER  27           HB1      SER  27  44.463 -27.479  -1.179
  171    HG   SER  27           HG       SER  27  46.717 -28.306  -0.772
  172    H    GLY  28           HN       GLY  28  46.478 -24.778  -4.014
  173    HA2  GLY  28           HA2      GLY  28  43.689 -24.168  -4.584
  174    HA3  GLY  28           HA1      GLY  28  45.094 -23.258  -5.134
  175    H    ALA  29           HN       ALA  29  46.077 -26.185  -5.856
  176    HA   ALA  29           HA       ALA  29  45.104 -26.027  -8.612
  177    HB1  ALA  29           HB1      ALA  29  47.086 -28.070  -7.692
  178    HB2  ALA  29           HB2      ALA  29  47.590 -26.383  -7.782
  179    HB3  ALA  29           HB3      ALA  29  46.998 -27.204  -9.226
  180    H    LEU  30           HN       LEU  30  43.146 -26.814  -6.813
  181    HA   LEU  30           HA       LEU  30  42.267 -29.259  -7.960
  182    HB2  LEU  30           HB2      LEU  30  42.303 -30.684  -5.978
  183    HB3  LEU  30           HB1      LEU  30  43.944 -30.193  -6.399
  184    HG   LEU  30           HG       LEU  30  43.105 -28.156  -4.724
  185   HD11  LEU  30          HD11      LEU  30  42.112 -30.811  -3.642
  186   HD12  LEU  30          HD12      LEU  30  41.090 -29.459  -4.128
  187   HD13  LEU  30          HD13      LEU  30  42.171 -29.294  -2.745
  188   HD21  LEU  30          HD21      LEU  30  45.307 -29.151  -4.640
  189   HD22  LEU  30          HD22      LEU  30  44.638 -30.708  -4.153
  190   HD23  LEU  30          HD23      LEU  30  44.581 -29.339  -3.043
  191    H    ILE  31           HN       ILE  31  41.977 -26.771  -5.513
  192    HA   ILE  31           HA       ILE  31  39.334 -27.439  -4.689
  193    HB   ILE  31           HB       ILE  31  41.115 -25.057  -4.333
  194   HG12  ILE  31          HG12      ILE  31  39.555 -26.717  -2.342
  195   HG13  ILE  31          HG11      ILE  31  41.164 -27.169  -2.908
  196   HG21  ILE  31          HG21      ILE  31  39.148 -24.148  -2.917
  197   HG22  ILE  31          HG22      ILE  31  38.130 -25.192  -3.908
  198   HG23  ILE  31          HG23      ILE  31  39.075 -23.907  -4.662
  199   HD11  ILE  31          HD11      ILE  31  40.622 -25.479  -0.774
  200   HD12  ILE  31          HD12      ILE  31  41.012 -24.366  -2.085
  201   HD13  ILE  31          HD13      ILE  31  42.167 -25.611  -1.612
  202    HA   PRO  32           HA       PRO  32  38.205 -23.933  -7.916
  203    HB2  PRO  32           HB2      PRO  32  39.958 -24.787 -10.145
  204    HB3  PRO  32           HB1      PRO  32  39.578 -23.154  -9.573
  205    HG2  PRO  32           HG2      PRO  32  41.967 -24.281  -9.166
  206    HG3  PRO  32           HG1      PRO  32  41.229 -23.176  -7.993
  207    HD2  PRO  32           HD2      PRO  32  41.451 -26.160  -7.892
  208    HD3  PRO  32           HD1      PRO  32  41.549 -24.977  -6.573
  209    H    ALA  33           HN       ALA  33  39.156 -27.230  -8.605
  210    HA   ALA  33           HA       ALA  33  37.536 -27.838 -10.783
  211    HB1  ALA  33           HB1      ALA  33  38.484 -29.834 -10.423
  212    HB2  ALA  33           HB2      ALA  33  37.476 -30.053  -8.993
  213    HB3  ALA  33           HB3      ALA  33  39.056 -29.283  -8.848
  214    H    ILE  34           HN       ILE  34  36.709 -28.736  -7.428
  215    HA   ILE  34           HA       ILE  34  33.990 -29.190  -7.937
  216    HB   ILE  34           HB       ILE  34  35.584 -28.620  -5.461
  217   HG12  ILE  34          HG12      ILE  34  33.752 -30.918  -6.201
  218   HG13  ILE  34          HG11      ILE  34  35.464 -30.879  -6.625
  219   HG21  ILE  34          HG21      ILE  34  33.603 -27.490  -4.848
  220   HG22  ILE  34          HG22      ILE  34  33.336 -29.128  -4.255
  221   HG23  ILE  34          HG23      ILE  34  32.581 -28.603  -5.759
  222   HD11  ILE  34          HD11      ILE  34  34.889 -32.094  -4.455
  223   HD12  ILE  34          HD12      ILE  34  34.484 -30.511  -3.789
  224   HD13  ILE  34          HD13      ILE  34  36.129 -30.847  -4.331
  225    H    TYR  35           HN       TYR  35  35.658 -26.292  -6.734
  226    HA   TYR  35           HA       TYR  35  33.599 -24.610  -6.146
  227    HB2  TYR  35           HB2      TYR  35  36.291 -24.288  -6.609
  228    HB3  TYR  35           HB1      TYR  35  35.571 -23.327  -7.900
  229    HD1  TYR  35           HD1      TYR  35  35.915 -23.729  -4.257
  230    HD2  TYR  35           HD2      TYR  35  34.161 -21.390  -7.404
  231    HE1  TYR  35           HE1      TYR  35  35.374 -21.940  -2.626
  232    HE2  TYR  35           HE2      TYR  35  33.620 -19.602  -5.774
  233    HH   TYR  35           HH       TYR  35  33.565 -20.029  -2.530
  234    H    MET  36           HN       MET  36  34.943 -25.109  -9.412
  235    HA   MET  36           HA       MET  36  32.994 -23.530 -10.732
  236    HB2  MET  36           HB2      MET  36  35.097 -25.472 -11.549
  237    HB3  MET  36           HB1      MET  36  33.817 -25.119 -12.712
  238    HG2  MET  36           HG2      MET  36  35.318 -22.927 -11.276
  239    HG3  MET  36           HG1      MET  36  35.890 -23.607 -12.799
  240    HE1  MET  36           HE1      MET  36  34.885 -20.523 -11.969
  241    HE2  MET  36           HE2      MET  36  33.662 -21.291 -10.962
  242    HE3  MET  36           HE3      MET  36  33.168 -20.227 -12.277
  243    H    LEU  37           HN       LEU  37  33.403 -27.076 -10.628
  244    HA   LEU  37           HA       LEU  37  31.144 -27.878 -11.949
  245    HB2  LEU  37           HB2      LEU  37  32.898 -29.384 -10.986
  246    HB3  LEU  37           HB1      LEU  37  32.157 -29.157  -9.401
  247    HG   LEU  37           HG       LEU  37  30.053 -29.805 -11.182
  248   HD11  LEU  37          HD11      LEU  37  32.433 -31.672 -11.432
  249   HD12  LEU  37          HD12      LEU  37  31.762 -30.682 -12.727
  250   HD13  LEU  37          HD13      LEU  37  30.810 -31.999 -12.040
  251   HD21  LEU  37          HD21      LEU  37  29.867 -31.785  -9.730
  252   HD22  LEU  37          HD22      LEU  37  30.223 -30.351  -8.767
  253   HD23  LEU  37          HD23      LEU  37  31.501 -31.509  -9.129
  254    H    VAL  38           HN       VAL  38  31.398 -26.728  -8.626
  255    HA   VAL  38           HA       VAL  38  28.598 -27.224  -8.067
  256    HB   VAL  38           HB       VAL  38  30.885 -26.001  -6.551
  257   HG11  VAL  38          HG11      VAL  38  29.187 -24.515  -5.889
  258   HG12  VAL  38          HG12      VAL  38  29.075 -25.798  -4.683
  259   HG13  VAL  38          HG13      VAL  38  27.929 -25.745  -6.023
  260   HG21  VAL  38          HG21      VAL  38  28.922 -28.186  -5.805
  261   HG22  VAL  38          HG22      VAL  38  30.475 -27.830  -5.049
  262   HG23  VAL  38          HG23      VAL  38  30.422 -28.505  -6.678
  263    H    PHE  39           HN       PHE  39  30.591 -24.545  -9.120
  264    HA   PHE  39           HA       PHE  39  28.675 -22.491  -8.580
  265    HB2  PHE  39           HB2      PHE  39  31.131 -22.099  -8.893
  266    HB3  PHE  39           HB1      PHE  39  30.917 -22.448 -10.610
  267    HD1  PHE  39           HD2      PHE  39  29.339 -21.017 -11.975
  268    HD2  PHE  39           HD1      PHE  39  30.531 -19.985  -7.979
  269    HE1  PHE  39           HE2      PHE  39  28.597 -18.682 -12.355
  270    HE2  PHE  39           HE1      PHE  39  29.790 -17.650  -8.360
  271    HZ   PHE  39           HZ       PHE  39  28.822 -16.998 -10.549
  272    H    LEU  40           HN       LEU  40  29.757 -23.919 -11.677
  273    HA   LEU  40           HA       LEU  40  27.703 -22.741 -13.219
  274    HB2  LEU  40           HB2      LEU  40  28.329 -24.400 -14.944
  275    HB3  LEU  40           HB1      LEU  40  29.741 -23.605 -14.248
  276    HG   LEU  40           HG       LEU  40  29.402 -25.760 -12.564
  277   HD11  LEU  40          HD11      LEU  40  29.011 -26.816 -15.368
  278   HD12  LEU  40          HD12      LEU  40  27.650 -26.547 -14.278
  279   HD13  LEU  40          HD13      LEU  40  28.912 -27.701 -13.846
  280   HD21  LEU  40          HD21      LEU  40  31.082 -25.353 -15.046
  281   HD22  LEU  40          HD22      LEU  40  31.291 -26.757 -14.001
  282   HD23  LEU  40          HD23      LEU  40  31.559 -25.135 -13.362
  283    H    LEU  41           HN       LEU  41  27.364 -24.895 -10.788
  284    HA   LEU  41           HA       LEU  41  25.232 -26.469 -12.049
  285    HB2  LEU  41           HB2      LEU  41  27.014 -26.820  -9.765
  286    HB3  LEU  41           HB1      LEU  41  25.335 -27.182  -9.370
  287    HG   LEU  41           HG       LEU  41  26.741 -28.288 -11.815
  288   HD11  LEU  41          HD11      LEU  41  27.836 -29.674 -10.415
  289   HD12  LEU  41          HD12      LEU  41  26.269 -30.354  -9.976
  290   HD13  LEU  41          HD13      LEU  41  26.962 -29.045  -9.019
  291   HD21  LEU  41          HD21      LEU  41  24.559 -29.842 -10.722
  292   HD22  LEU  41          HD22      LEU  41  24.716 -29.139 -12.331
  293   HD23  LEU  41          HD23      LEU  41  24.027 -28.188 -11.018
  294    H    GLY  42           HN       GLY  42  25.565 -24.847  -8.887
  295    HA2  GLY  42           HA2      GLY  42  22.707 -24.341  -8.801
  296    HA3  GLY  42           HA1      GLY  42  23.878 -23.963  -7.541
  297    H    THR  43           HN       THR  43  25.115 -22.857 -10.408
  298    HA   THR  43           HA       THR  43  23.824 -20.210 -10.162
  299    HB   THR  43           HB       THR  43  26.722 -20.293 -10.817
  300    HG1  THR  43           HG1      THR  43  25.819 -21.539  -8.709
  301   HG21  THR  43          HG21      THR  43  25.395 -18.199 -10.751
  302   HG22  THR  43          HG22      THR  43  26.678 -18.200  -9.542
  303   HG23  THR  43          HG23      THR  43  25.012 -18.512  -9.058
  304    H    THR  44           HN       THR  44  23.126 -22.142 -12.050
  305    HA   THR  44           HA       THR  44  23.978 -20.786 -14.517
  306    HB   THR  44           HB       THR  44  24.022 -23.771 -14.040
  307    HG1  THR  44           HG1      THR  44  25.879 -21.751 -14.606
  308   HG21  THR  44          HG21      THR  44  23.679 -22.168 -16.521
  309   HG22  THR  44          HG22      THR  44  23.133 -23.804 -16.154
  310   HG23  THR  44          HG23      THR  44  24.815 -23.515 -16.596
  311    H    GLY  45           HN       GLY  45  21.864 -23.389 -13.291
  312    HA2  GLY  45           HA2      GLY  45  19.725 -22.413 -15.073
  313    HA3  GLY  45           HA1      GLY  45  19.806 -24.023 -14.363
  314    H    ASN  46           HN       ASN  46  20.759 -22.254 -11.883
  315    HA   ASN  46           HA       ASN  46  18.231 -22.377 -10.540
  316    HB2  ASN  46           HB2      ASN  46  21.017 -21.877  -9.841
  317    HB3  ASN  46           HB1      ASN  46  19.904 -20.834  -8.957
  318   HD21  ASN  46          HD21      ASN  46  20.701 -24.249  -9.611
  319   HD22  ASN  46          HD22      ASN  46  19.866 -24.868  -8.269
  320    H    GLY  47           HN       GLY  47  20.344 -19.708 -11.590
  321    HA2  GLY  47           HA2      GLY  47  18.596 -17.630 -10.739
  322    HA3  GLY  47           HA1      GLY  47  19.930 -17.458 -11.876
  323    H    LEU  48           HN       LEU  48  19.178 -19.150 -13.908
  324    HA   LEU  48           HA       LEU  48  17.429 -17.586 -15.428
  325    HB2  LEU  48           HB2      LEU  48  19.075 -19.233 -16.345
  326    HB3  LEU  48           HB1      LEU  48  18.017 -20.534 -15.803
  327    HG   LEU  48           HG       LEU  48  16.185 -19.594 -17.212
  328   HD11  LEU  48          HD11      LEU  48  16.540 -17.345 -17.585
  329   HD12  LEU  48          HD12      LEU  48  17.250 -17.987 -19.065
  330   HD13  LEU  48          HD13      LEU  48  18.289 -17.531 -17.716
  331   HD21  LEU  48          HD21      LEU  48  17.362 -21.358 -18.245
  332   HD22  LEU  48          HD22      LEU  48  18.821 -20.386 -18.443
  333   HD23  LEU  48          HD23      LEU  48  17.408 -20.072 -19.452
  334    H    VAL  49           HN       VAL  49  16.821 -20.663 -13.737
  335    HA   VAL  49           HA       VAL  49  14.110 -20.916 -14.431
  336    HB   VAL  49           HB       VAL  49  15.773 -21.951 -12.150
  337   HG11  VAL  49          HG11      VAL  49  13.718 -21.805 -11.035
  338   HG12  VAL  49          HG12      VAL  49  13.630 -23.408 -11.762
  339   HG13  VAL  49          HG13      VAL  49  12.789 -22.052 -12.512
  340   HG21  VAL  49          HG21      VAL  49  14.272 -23.288 -14.425
  341   HG22  VAL  49          HG22      VAL  49  15.339 -24.092 -13.273
  342   HG23  VAL  49          HG23      VAL  49  16.000 -22.931 -14.426
  343    H    LEU  50           HN       LEU  50  15.287 -20.054 -11.177
  344    HA   LEU  50           HA       LEU  50  12.997 -19.092 -10.072
  345    HB2  LEU  50           HB2      LEU  50  15.841 -18.138  -9.789
  346    HB3  LEU  50           HB1      LEU  50  14.532 -17.413  -8.854
  347    HG   LEU  50           HG       LEU  50  14.730 -20.396  -8.915
  348   HD11  LEU  50          HD11      LEU  50  16.204 -19.977  -6.751
  349   HD12  LEU  50          HD12      LEU  50  16.677 -18.520  -7.625
  350   HD13  LEU  50          HD13      LEU  50  16.959 -20.107  -8.340
  351   HD21  LEU  50          HD21      LEU  50  12.978 -18.787  -7.743
  352   HD22  LEU  50          HD22      LEU  50  14.236 -18.669  -6.512
  353   HD23  LEU  50          HD23      LEU  50  13.545 -20.239  -6.918
  354    H    TRP  51           HN       TRP  51  14.969 -17.528 -12.504
  355    HA   TRP  51           HA       TRP  51  13.650 -14.973 -12.301
  356    HB2  TRP  51           HB2      TRP  51  15.913 -15.008 -13.123
  357    HB3  TRP  51           HB1      TRP  51  15.490 -16.164 -14.384
  358    HD1  TRP  51           HD1      TRP  51  15.080 -12.498 -13.409
  359    HE1  TRP  51           HE1      TRP  51  14.317 -11.168 -15.482
  360    HE3  TRP  51           HE3      TRP  51  14.257 -16.340 -16.671
  361    HZ2  TRP  51           HZ2      TRP  51  13.468 -11.667 -18.167
  362    HZ3  TRP  51           HZ3      TRP  51  13.473 -15.885 -18.978
  363    HH2  TRP  51           HH2      TRP  51  13.078 -13.556 -19.728
  364    H    THR  52           HN       THR  52  13.593 -17.650 -14.657
  365    HA   THR  52           HA       THR  52  11.645 -16.583 -16.368
  366    HB   THR  52           HB       THR  52  12.399 -19.434 -15.713
  367    HG1  THR  52           HG1      THR  52  13.105 -19.077 -18.023
  368   HG21  THR  52          HG21      THR  52  10.224 -19.734 -16.512
  369   HG22  THR  52          HG22      THR  52  11.170 -19.794 -18.000
  370   HG23  THR  52          HG23      THR  52  10.309 -18.319 -17.561
  371    H    VAL  53           HN       VAL  53  11.320 -18.617 -13.480
  372    HA   VAL  53           HA       VAL  53   8.530 -18.987 -13.623
  373    HB   VAL  53           HB       VAL  53  10.495 -19.054 -11.337
  374   HG11  VAL  53          HG11      VAL  53   7.494 -19.362 -11.331
  375   HG12  VAL  53          HG12      VAL  53   8.508 -18.440 -10.220
  376   HG13  VAL  53          HG13      VAL  53   8.496 -20.201 -10.146
  377   HG21  VAL  53          HG21      VAL  53  10.441 -21.359 -11.629
  378   HG22  VAL  53          HG22      VAL  53  10.192 -20.828 -13.293
  379   HG23  VAL  53          HG23      VAL  53   8.817 -21.337 -12.314
  380    H    PHE  54           HN       PHE  54  10.487 -16.574 -11.889
  381    HA   PHE  54           HA       PHE  54   8.459 -15.196 -10.587
  382    HB2  PHE  54           HB2      PHE  54  11.215 -14.753 -11.220
  383    HB3  PHE  54           HB1      PHE  54  10.315 -13.270 -11.539
  384    HD1  PHE  54           HD2      PHE  54   9.024 -12.164  -9.748
  385    HD2  PHE  54           HD1      PHE  54  11.407 -15.653  -8.978
  386    HE1  PHE  54           HE2      PHE  54   8.886 -11.720  -7.313
  387    HE2  PHE  54           HE1      PHE  54  11.269 -15.210  -6.542
  388    HZ   PHE  54           HZ       PHE  54  10.010 -13.243  -5.709
  389    H    ARG  55           HN       ARG  55   8.951 -15.552 -13.920
  390    HA   ARG  55           HA       ARG  55   7.404 -13.123 -14.554
  391    HB2  ARG  55           HB2      ARG  55   9.307 -14.845 -16.089
  392    HB3  ARG  55           HB1      ARG  55   8.056 -13.966 -16.971
  393    HG2  ARG  55           HG2      ARG  55   8.921 -11.893 -16.407
  394    HG3  ARG  55           HG1      ARG  55   9.636 -12.483 -14.907
  395    HD2  ARG  55           HD2      ARG  55  11.162 -11.935 -17.004
  396    HD3  ARG  55           HD1      ARG  55  11.519 -13.312 -15.966
  397    HE   ARG  55           HE       ARG  55  10.902 -14.731 -17.710
  398   HH11  ARG  55          HH21      ARG  55   9.939 -11.464 -18.323
  399   HH12  ARG  55          HH22      ARG  55   9.486 -11.760 -19.968
  400   HH21  ARG  55          HH11      ARG  55  10.309 -15.126 -19.868
  401   HH22  ARG  55          HH12      ARG  55   9.695 -13.833 -20.843
  402    H    LYS  56           HN       LYS  56   7.110 -16.496 -14.203
  403    HA   LYS  56           HA       LYS  56   4.719 -16.590 -15.922
  404    HB2  LYS  56           HB2      LYS  56   5.128 -18.798 -16.262
  405    HB3  LYS  56           HB1      LYS  56   6.764 -18.359 -15.780
  406    HG2  LYS  56           HG2      LYS  56   6.066 -18.895 -13.380
  407    HG3  LYS  56           HG1      LYS  56   4.599 -19.603 -14.058
  408    HD2  LYS  56           HD2      LYS  56   7.344 -20.447 -15.009
  409    HD3  LYS  56           HD1      LYS  56   6.571 -21.199 -13.616
  410    HE2  LYS  56           HE2      LYS  56   4.581 -21.703 -15.063
  411    HE3  LYS  56           HE1      LYS  56   5.490 -21.093 -16.446
  412    HZ1  LYS  56           HZ1      LYS  56   7.265 -22.746 -15.711
  413    HZ2  LYS  56           HZ2      LYS  56   5.877 -23.366 -16.470
  414    HZ3  LYS  56           HZ3      LYS  56   6.042 -23.467 -14.784
  415    H    LYS  57           HN       LYS  57   5.811 -16.754 -12.621
  416    HA   LYS  57           HA       LYS  57   3.110 -17.448 -11.687
  417    HB2  LYS  57           HB2      LYS  57   5.373 -18.491 -10.827
  418    HB3  LYS  57           HB1      LYS  57   5.434 -17.024  -9.848
  419    HG2  LYS  57           HG2      LYS  57   2.994 -17.591  -9.201
  420    HG3  LYS  57           HG1      LYS  57   3.344 -19.198  -9.837
  421    HD2  LYS  57           HD2      LYS  57   4.106 -19.621  -7.736
  422    HD3  LYS  57           HD1      LYS  57   5.546 -18.754  -8.274
  423    HE2  LYS  57           HE2      LYS  57   4.780 -17.811  -6.155
  424    HE3  LYS  57           HE1      LYS  57   4.540 -16.631  -7.443
  425    HZ1  LYS  57           HZ1      LYS  57   2.434 -18.495  -6.499
  426    HZ2  LYS  57           HZ2      LYS  57   2.247 -17.185  -7.566
  427    HZ3  LYS  57           HZ3      LYS  57   2.609 -16.906  -5.930
  428    H    GLY  58           HN       GLY  58   5.456 -14.861 -11.773
  429    HA2  GLY  58           HA2      GLY  58   4.085 -13.186  -9.867
  430    HA3  GLY  58           HA1      GLY  58   5.427 -12.713 -10.905
  431    H    HIS  59           HN       HIS  59   4.022 -13.699 -13.321
  432    HA   HIS  59           HA       HIS  59   2.836 -11.303 -14.164
  433    HB2  HIS  59           HB2      HIS  59   3.075 -12.356 -16.125
  434    HB3  HIS  59           HB1      HIS  59   3.409 -13.871 -15.287
  435    HD2  HIS  59           HD2      HIS  59   1.189 -15.631 -15.076
  436    HE1  HIS  59           HE1      HIS  59  -1.475 -13.262 -17.337
  437    HE2  HIS  59           HE2      HIS  59  -1.141 -15.532 -16.249
  438    H    HIS  60           HN       HIS  60   1.601 -13.782 -12.189
  439    HA   HIS  60           HA       HIS  60  -1.086 -12.583 -12.352
  440    HB2  HIS  60           HB2      HIS  60  -1.292 -14.592 -13.657
  441    HB3  HIS  60           HB1      HIS  60  -0.437 -15.536 -12.437
  442    HD2  HIS  60           HD2      HIS  60  -3.250 -13.059 -11.269
  443    HE1  HIS  60           HE1      HIS  60  -4.691 -16.997 -10.783
  444    HE2  HIS  60           HE2      HIS  60  -5.172 -14.547 -10.316
  445    H    HIS  61           HN       HIS  61  -0.824 -11.523 -10.402
  446    HA   HIS  61           HA       HIS  61   0.250 -12.718  -8.059
  447    HB2  HIS  61           HB2      HIS  61  -0.124 -10.207  -8.629
  448    HB3  HIS  61           HB1      HIS  61  -1.747 -10.474  -7.993
  449    HD2  HIS  61           HD2      HIS  61   1.780 -11.640  -6.516
  450    HE1  HIS  61           HE1      HIS  61  -0.477  -9.782  -3.471
  451    HE2  HIS  61           HE2      HIS  61   1.709 -10.960  -3.996
  452    H    HIS  62           HN       HIS  62  -1.959 -11.780  -6.304
  453    HA   HIS  62           HA       HIS  62  -3.488 -14.272  -6.331
  454    HB2  HIS  62           HB2      HIS  62  -2.390 -12.760  -4.295
  455    HB3  HIS  62           HB1      HIS  62  -4.104 -12.354  -4.211
  456    HD2  HIS  62           HD2      HIS  62  -5.344 -15.333  -4.963
  457    HE1  HIS  62           HE1      HIS  62  -3.059 -16.689  -1.682
  458    HE2  HIS  62           HE2      HIS  62  -4.983 -17.260  -3.238
  459    H    HIS  63           HN       HIS  63  -4.144 -10.772  -6.101
  460    HA   HIS  63           HA       HIS  63  -6.676 -11.228  -7.534
  461    HB2  HIS  63           HB2      HIS  63  -6.472  -9.424  -5.119
  462    HB3  HIS  63           HB1      HIS  63  -7.928  -9.886  -6.000
  463    HD2  HIS  63           HD2      HIS  63  -6.527 -10.857  -2.763
  464    HE1  HIS  63           HE1      HIS  63  -7.881 -14.539  -4.321
  465    HE2  HIS  63           HE2      HIS  63  -7.108 -13.343  -2.218
  466    H    HIS  64           HN       HIS  64  -4.309 -10.288  -8.659
  467    HA   HIS  64           HA       HIS  64  -3.384  -8.520  -9.814
  468    HB2  HIS  64           HB2      HIS  64  -6.345  -7.950  -9.957
  469    HB3  HIS  64           HB1      HIS  64  -5.152  -6.989 -10.832
  470    HD2  HIS  64           HD2      HIS  64  -4.385  -8.113 -13.246
  471    HE1  HIS  64           HE1      HIS  64  -5.876 -12.006 -12.575
  472    HE2  HIS  64           HE2      HIS  64  -4.773 -10.480 -14.279
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  33.960   8.578  -4.259
    2    H2   MET   1           HT2      MET   1  34.185   6.994  -3.688
    3    H3   MET   1           HT3      MET   1  35.528   7.983  -4.011
    4    HA   MET   1           HA       MET   1  35.018   9.426  -2.205
    5    HB2  MET   1           HB2      MET   1  33.023   8.675  -0.729
    6    HB3  MET   1           HB1      MET   1  32.659   9.542  -2.222
    7    HG2  MET   1           HG2      MET   1  32.021   7.564  -3.351
    8    HG3  MET   1           HG1      MET   1  32.806   6.529  -2.160
    9    HE1  MET   1           HE1      MET   1  29.982   5.057  -1.428
   10    HE2  MET   1           HE2      MET   1  30.700   5.551  -2.958
   11    HE3  MET   1           HE3      MET   1  29.062   6.057  -2.559
   12    H    GLU   2           HN       GLU   2  36.200   6.688  -2.915
   13    HA   GLU   2           HA       GLU   2  36.253   5.386  -0.296
   14    HB2  GLU   2           HB2      GLU   2  37.938   3.892  -1.715
   15    HB3  GLU   2           HB1      GLU   2  36.191   3.712  -1.872
   16    HG2  GLU   2           HG2      GLU   2  37.617   5.716  -3.591
   17    HG3  GLU   2           HG1      GLU   2  37.677   4.009  -4.028
   18    H    GLU   3           HN       GLU   3  37.317   7.261   0.712
   19    HA   GLU   3           HA       GLU   3  39.827   8.256   0.004
   20    HB2  GLU   3           HB2      GLU   3  39.931   9.182   2.166
   21    HB3  GLU   3           HB1      GLU   3  38.203   9.062   1.837
   22    HG2  GLU   3           HG2      GLU   3  39.903   7.300   3.596
   23    HG3  GLU   3           HG1      GLU   3  38.423   8.162   4.008
   24    H    GLY   4           HN       GLY   4  41.766   7.931   1.649
   25    HA2  GLY   4           HA2      GLY   4  43.114   6.372   2.869
   26    HA3  GLY   4           HA1      GLY   4  42.188   5.058   2.150
   27    H    GLY   5           HN       GLY   5  45.159   6.040   2.199
   28    HA2  GLY   5           HA2      GLY   5  46.146   6.744  -0.243
   29    HA3  GLY   5           HA1      GLY   5  46.951   5.581   0.805
   30    H    ASP   6           HN       ASP   6  46.558   3.335   0.499
   31    HA   ASP   6           HA       ASP   6  44.863   2.308  -1.538
   32    HB2  ASP   6           HB2      ASP   6  46.886   1.498  -2.964
   33    HB3  ASP   6           HB1      ASP   6  46.269   3.132  -3.206
   34    H    PHE   7           HN       PHE   7  44.695   1.257   0.706
   35    HA   PHE   7           HA       PHE   7  44.889  -0.667   1.947
   36    HB2  PHE   7           HB2      PHE   7  46.692  -1.937  -0.060
   37    HB3  PHE   7           HB1      PHE   7  45.313  -2.617   0.807
   38    HD1  PHE   7           HD2      PHE   7  43.184  -0.675   0.292
   39    HD2  PHE   7           HD1      PHE   7  46.217  -2.184  -2.350
   40    HE1  PHE   7           HE2      PHE   7  41.724  -0.202  -1.654
   41    HE2  PHE   7           HE1      PHE   7  44.756  -1.711  -4.296
   42    HZ   PHE   7           HZ       PHE   7  42.509  -0.719  -3.949
   43    H    ASP   8           HN       ASP   8  46.388  -1.828   3.298
   44    HA   ASP   8           HA       ASP   8  48.869  -0.323   3.703
   45    HB2  ASP   8           HB2      ASP   8  48.028  -2.533   5.520
   46    HB3  ASP   8           HB1      ASP   8  48.788  -0.990   5.904
   47    H    ASN   9           HN       ASN   9  48.509  -2.297   1.503
   48    HA   ASN   9           HA       ASN   9  49.657  -4.755   1.874
   49    HB2  ASN   9           HB2      ASN   9  50.515  -4.574  -0.431
   50    HB3  ASN   9           HB1      ASN   9  48.861  -3.976  -0.306
   51   HD21  ASN   9          HD21      ASN   9  48.910  -2.376  -1.957
   52   HD22  ASN   9          HD22      ASN   9  49.961  -1.042  -1.929
   53    H    TYR  10           HN       TYR  10  51.953  -5.365   1.090
   54    HA   TYR  10           HA       TYR  10  54.172  -5.467   1.655
   55    HB2  TYR  10           HB2      TYR  10  54.910  -3.876   0.243
   56    HB3  TYR  10           HB1      TYR  10  53.617  -2.761   0.686
   57    HD1  TYR  10           HD1      TYR  10  56.873  -4.161   1.861
   58    HD2  TYR  10           HD2      TYR  10  54.015  -0.971   2.184
   59    HE1  TYR  10           HE1      TYR  10  58.456  -2.885   3.281
   60    HE2  TYR  10           HE2      TYR  10  55.599   0.304   3.603
   61    HH   TYR  10           HH       TYR  10  58.001  -0.886   5.202
   62    H    TYR  11           HN       TYR  11  54.604  -6.101   3.670
   63    HA   TYR  11           HA       TYR  11  55.326  -5.877   5.860
   64    HB2  TYR  11           HB2      TYR  11  55.825  -3.404   4.965
   65    HB3  TYR  11           HB1      TYR  11  54.497  -3.026   6.064
   66    HD1  TYR  11           HD2      TYR  11  57.757  -4.851   5.883
   67    HD2  TYR  11           HD1      TYR  11  54.866  -2.892   8.385
   68    HE1  TYR  11           HE2      TYR  11  59.298  -5.045   7.817
   69    HE2  TYR  11           HE1      TYR  11  56.407  -3.087  10.318
   70    HH   TYR  11           HH       TYR  11  58.590  -4.993  10.743
   71    H    GLY  12           HN       GLY  12  52.759  -6.745   5.129
   72    HA2  GLY  12           HA2      GLY  12  51.370  -7.120   7.367
   73    HA3  GLY  12           HA1      GLY  12  50.861  -5.485   6.954
   74    H    ALA  13           HN       ALA  13  51.670  -7.770   4.470
   75    HA   ALA  13           HA       ALA  13  48.802  -8.176   3.868
   76    HB1  ALA  13           HB1      ALA  13  49.057  -7.023   1.965
   77    HB2  ALA  13           HB2      ALA  13  50.241  -8.219   1.436
   78    HB3  ALA  13           HB3      ALA  13  50.769  -6.778   2.305
   79    H    ASP  14           HN       ASP  14  52.060  -9.415   3.906
   80    HA   ASP  14           HA       ASP  14  51.245 -11.952   2.696
   81    HB2  ASP  14           HB2      ASP  14  53.937 -11.057   3.755
   82    HB3  ASP  14           HB1      ASP  14  53.619 -12.539   2.855
   83    H    ASN  15           HN       ASN  15  51.988 -10.551   5.808
   84    HA   ASN  15           HA       ASN  15  52.528 -12.801   7.342
   85    HB2  ASN  15           HB2      ASN  15  52.734 -10.915   8.618
   86    HB3  ASN  15           HB1      ASN  15  51.346 -10.127   7.871
   87   HD21  ASN  15          HD21      ASN  15  49.786  -9.802   9.460
   88   HD22  ASN  15          HD22      ASN  15  49.350 -10.941  10.641
   89    H    GLN  16           HN       GLN  16  49.517 -11.721   5.953
   90    HA   GLN  16           HA       GLN  16  48.018 -13.767   7.445
   91    HB2  GLN  16           HB2      GLN  16  46.021 -12.661   6.640
   92    HB3  GLN  16           HB1      GLN  16  47.107 -11.443   7.309
   93    HG2  GLN  16           HG2      GLN  16  47.992 -11.149   4.917
   94    HG3  GLN  16           HG1      GLN  16  46.581 -12.072   4.402
   95   HE21  GLN  16          HE21      GLN  16  44.406 -11.161   5.348
   96   HE22  GLN  16          HE22      GLN  16  44.265  -9.470   5.396
   97    H    SER  17           HN       SER  17  49.739 -13.489   4.627
   98    HA   SER  17           HA       SER  17  47.950 -15.192   3.041
   99    HB2  SER  17           HB2      SER  17  49.252 -14.629   1.176
  100    HB3  SER  17           HB1      SER  17  49.263 -13.148   2.129
  101    HG   SER  17           HG       SER  17  51.232 -14.589   3.045
  102    H    GLU  18           HN       GLU  18  51.082 -15.224   4.659
  103    HA   GLU  18           HA       GLU  18  52.128 -17.616   3.693
  104    HB2  GLU  18           HB2      GLU  18  52.339 -16.358   6.435
  105    HB3  GLU  18           HB1      GLU  18  53.299 -17.746   5.918
  106    HG2  GLU  18           HG2      GLU  18  54.240 -16.444   4.072
  107    HG3  GLU  18           HG1      GLU  18  53.233 -15.064   4.505
  108    H    CYS  19           HN       CYS  19  50.428 -17.254   6.815
  109    HA   CYS  19           HA       CYS  19  50.096 -19.867   7.506
  110    HB2  CYS  19           HB2      CYS  19  48.026 -17.673   7.756
  111    HB3  CYS  19           HB1      CYS  19  48.009 -19.191   8.653
  112    HG   CYS  19           HG       CYS  19  50.485 -18.361   9.542
  113    H    GLU  20           HN       GLU  20  48.443 -18.138   4.956
  114    HA   GLU  20           HA       GLU  20  46.603 -20.363   4.481
  115    HB2  GLU  20           HB2      GLU  20  46.916 -17.686   3.103
  116    HB3  GLU  20           HB1      GLU  20  45.682 -18.884   2.711
  117    HG2  GLU  20           HG2      GLU  20  45.996 -17.950   5.549
  118    HG3  GLU  20           HG1      GLU  20  45.113 -16.952   4.395
  119    H    TYR  21           HN       TYR  21  49.544 -18.978   3.232
  120    HA   TYR  21           HA       TYR  21  49.616 -19.956   0.640
  121    HB2  TYR  21           HB2      TYR  21  51.350 -18.491   1.600
  122    HB3  TYR  21           HB1      TYR  21  51.914 -19.825   2.607
  123    HD1  TYR  21           HD1      TYR  21  52.803 -21.919   1.506
  124    HD2  TYR  21           HD2      TYR  21  51.986 -18.317  -0.689
  125    HE1  TYR  21           HE1      TYR  21  54.207 -22.741  -0.366
  126    HE2  TYR  21           HE2      TYR  21  53.391 -19.140  -2.560
  127    HH   TYR  21           HH       TYR  21  55.511 -21.741  -2.260
  128    H    THR  22           HN       THR  22  50.021 -21.652   3.675
  129    HA   THR  22           HA       THR  22  51.061 -24.065   2.501
  130    HB   THR  22           HB       THR  22  50.611 -25.034   4.751
  131    HG1  THR  22           HG1      THR  22  49.116 -22.740   4.887
  132   HG21  THR  22          HG21      THR  22  51.869 -22.692   5.749
  133   HG22  THR  22          HG22      THR  22  52.358 -22.862   4.062
  134   HG23  THR  22          HG23      THR  22  52.639 -24.181   5.200
  135    H    ASP  23           HN       ASP  23  47.940 -22.680   2.927
  136    HA   ASP  23           HA       ASP  23  46.601 -25.266   2.524
  137    HB2  ASP  23           HB2      ASP  23  45.925 -22.848   3.901
  138    HB3  ASP  23           HB1      ASP  23  44.728 -23.138   2.641
  139    H    TRP  24           HN       TRP  24  46.331 -21.950   1.217
  140    HA   TRP  24           HA       TRP  24  44.801 -22.359  -0.987
  141    HB2  TRP  24           HB2      TRP  24  45.401 -20.167  -0.937
  142    HB3  TRP  24           HB1      TRP  24  47.026 -20.519  -0.349
  143    HD1  TRP  24           HD1      TRP  24  45.005 -20.104  -3.533
  144    HE1  TRP  24           HE1      TRP  24  46.610 -20.040  -5.549
  145    HE3  TRP  24           HE3      TRP  24  49.378 -21.372  -1.220
  146    HZ2  TRP  24           HZ2      TRP  24  49.383 -20.468  -6.107
  147    HZ3  TRP  24           HZ3      TRP  24  51.484 -21.536  -2.516
  148    HH2  TRP  24           HH2      TRP  24  51.492 -21.086  -4.955
  149    H    LYS  25           HN       LYS  25  48.130 -23.364  -0.541
  150    HA   LYS  25           HA       LYS  25  48.552 -24.097  -3.286
  151    HB2  LYS  25           HB2      LYS  25  50.337 -23.489  -1.541
  152    HB3  LYS  25           HB1      LYS  25  50.125 -25.133  -0.936
  153    HG2  LYS  25           HG2      LYS  25  50.617 -26.019  -3.196
  154    HG3  LYS  25           HG1      LYS  25  50.870 -24.372  -3.776
  155    HD2  LYS  25           HD2      LYS  25  52.713 -24.072  -2.179
  156    HD3  LYS  25           HD1      LYS  25  52.450 -25.700  -1.554
  157    HE2  LYS  25           HE2      LYS  25  52.969 -26.649  -3.761
  158    HE3  LYS  25           HE1      LYS  25  53.196 -25.027  -4.415
  159    HZ1  LYS  25           HZ1      LYS  25  55.176 -26.497  -3.431
  160    HZ2  LYS  25           HZ2      LYS  25  54.718 -25.661  -2.025
  161    HZ3  LYS  25           HZ3      LYS  25  55.182 -24.801  -3.415
  162    H    SER  26           HN       SER  26  47.585 -25.758  -0.327
  163    HA   SER  26           HA       SER  26  47.429 -28.315  -1.758
  164    HB2  SER  26           HB2      SER  26  47.125 -27.578   1.156
  165    HB3  SER  26           HB1      SER  26  46.834 -29.200   0.532
  166    HG   SER  26           HG       SER  26  49.163 -27.964   1.090
  167    H    SER  27           HN       SER  27  45.502 -25.675  -1.310
  168    HA   SER  27           HA       SER  27  43.065 -27.288  -1.695
  169    HB2  SER  27           HB2      SER  27  43.629 -25.811   0.631
  170    HB3  SER  27           HB1      SER  27  42.473 -24.843  -0.279
  171    HG   SER  27           HG       SER  27  42.049 -27.061   1.130
  172    H    GLY  28           HN       GLY  28  44.330 -23.949  -1.719
  173    HA2  GLY  28           HA2      GLY  28  42.448 -22.889  -3.516
  174    HA3  GLY  28           HA1      GLY  28  44.052 -22.228  -3.220
  175    H    ALA  29           HN       ALA  29  44.573 -25.336  -4.095
  176    HA   ALA  29           HA       ALA  29  45.075 -24.571  -6.897
  177    HB1  ALA  29           HB1      ALA  29  47.109 -25.314  -6.115
  178    HB2  ALA  29           HB2      ALA  29  46.440 -26.840  -6.692
  179    HB3  ALA  29           HB3      ALA  29  46.379 -26.444  -4.975
  180    H    LEU  30           HN       LEU  30  42.925 -26.328  -5.010
  181    HA   LEU  30           HA       LEU  30  41.934 -27.737  -7.390
  182    HB2  LEU  30           HB2      LEU  30  41.558 -29.792  -6.079
  183    HB3  LEU  30           HB1      LEU  30  43.273 -29.390  -6.168
  184    HG   LEU  30           HG       LEU  30  42.411 -28.009  -3.918
  185   HD11  LEU  30          HD11      LEU  30  40.265 -29.233  -3.996
  186   HD12  LEU  30          HD12      LEU  30  41.207 -29.695  -2.579
  187   HD13  LEU  30          HD13      LEU  30  41.139 -30.764  -3.978
  188   HD21  LEU  30          HD21      LEU  30  44.517 -29.150  -4.004
  189   HD22  LEU  30          HD22      LEU  30  43.738 -30.708  -4.280
  190   HD23  LEU  30          HD23      LEU  30  43.600 -29.918  -2.708
  191    H    ILE  31           HN       ILE  31  41.314 -25.536  -5.145
  192    HA   ILE  31           HA       ILE  31  38.760 -26.396  -4.158
  193    HB   ILE  31           HB       ILE  31  40.350 -23.867  -4.030
  194   HG12  ILE  31          HG12      ILE  31  40.320 -25.982  -2.433
  195   HG13  ILE  31          HG11      ILE  31  40.446 -24.356  -1.767
  196   HG21  ILE  31          HG21      ILE  31  37.376 -24.141  -3.587
  197   HG22  ILE  31          HG22      ILE  31  38.245 -22.887  -4.470
  198   HG23  ILE  31          HG23      ILE  31  38.328 -22.942  -2.711
  199   HD11  ILE  31          HD11      ILE  31  38.694 -25.952  -0.724
  200   HD12  ILE  31          HD12      ILE  31  37.756 -25.658  -2.186
  201   HD13  ILE  31          HD13      ILE  31  38.174 -24.315  -1.123
  202    HA   PRO  32           HA       PRO  32  37.359 -23.269  -7.687
  203    HB2  PRO  32           HB2      PRO  32  39.122 -24.316  -9.833
  204    HB3  PRO  32           HB1      PRO  32  38.642 -22.646  -9.482
  205    HG2  PRO  32           HG2      PRO  32  41.102 -23.542  -8.968
  206    HG3  PRO  32           HG1      PRO  32  40.298 -22.353  -7.928
  207    HD2  PRO  32           HD2      PRO  32  40.739 -25.277  -7.459
  208    HD3  PRO  32           HD1      PRO  32  40.748 -23.933  -6.298
  209    H    ALA  33           HN       ALA  33  38.299 -26.592  -7.786
  210    HA   ALA  33           HA       ALA  33  36.695 -27.523  -9.909
  211    HB1  ALA  33           HB1      ALA  33  37.917 -29.320  -9.341
  212    HB2  ALA  33           HB2      ALA  33  36.761 -29.581  -8.034
  213    HB3  ALA  33           HB3      ALA  33  38.243 -28.673  -7.732
  214    H    ILE  34           HN       ILE  34  36.055 -27.886  -6.413
  215    HA   ILE  34           HA       ILE  34  33.398 -28.680  -6.624
  216    HB   ILE  34           HB       ILE  34  34.968 -27.290  -4.475
  217   HG12  ILE  34          HG12      ILE  34  34.550 -29.416  -3.310
  218   HG13  ILE  34          HG11      ILE  34  33.531 -29.959  -4.643
  219   HG21  ILE  34          HG21      ILE  34  32.839 -27.783  -3.058
  220   HG22  ILE  34          HG22      ILE  34  31.991 -27.747  -4.604
  221   HG23  ILE  34          HG23      ILE  34  32.867 -26.322  -4.044
  222   HD11  ILE  34          HD11      ILE  34  35.950 -30.799  -4.661
  223   HD12  ILE  34          HD12      ILE  34  36.413 -29.142  -5.051
  224   HD13  ILE  34          HD13      ILE  34  35.375 -30.051  -6.151
  225    H    TYR  35           HN       TYR  35  34.795 -25.443  -6.611
  226    HA   TYR  35           HA       TYR  35  32.370 -24.001  -6.360
  227    HB2  TYR  35           HB2      TYR  35  35.161 -23.416  -6.877
  228    HB3  TYR  35           HB1      TYR  35  34.107 -22.427  -7.887
  229    HD1  TYR  35           HD1      TYR  35  34.926 -23.374  -4.399
  230    HD2  TYR  35           HD2      TYR  35  32.665 -20.748  -6.937
  231    HE1  TYR  35           HE1      TYR  35  34.380 -21.954  -2.441
  232    HE2  TYR  35           HE2      TYR  35  32.119 -19.327  -4.980
  233    HH   TYR  35           HH       TYR  35  32.627 -20.333  -1.781
  234    H    MET  36           HN       MET  36  34.359 -24.645  -9.259
  235    HA   MET  36           HA       MET  36  32.568 -23.614 -11.141
  236    HB2  MET  36           HB2      MET  36  34.867 -25.490 -11.197
  237    HB3  MET  36           HB1      MET  36  33.768 -25.553 -12.576
  238    HG2  MET  36           HG2      MET  36  35.704 -23.900 -12.777
  239    HG3  MET  36           HG1      MET  36  34.095 -23.236 -13.063
  240    HE1  MET  36           HE1      MET  36  33.018 -21.396 -11.771
  241    HE2  MET  36           HE2      MET  36  34.435 -20.896 -12.689
  242    HE3  MET  36           HE3      MET  36  34.160 -20.236 -11.078
  243    H    LEU  37           HN       LEU  37  33.054 -27.043 -10.259
  244    HA   LEU  37           HA       LEU  37  31.055 -28.207 -11.733
  245    HB2  LEU  37           HB2      LEU  37  32.715 -29.347 -10.180
  246    HB3  LEU  37           HB1      LEU  37  31.604 -28.970  -8.862
  247    HG   LEU  37           HG       LEU  37  29.904 -30.045 -10.731
  248   HD11  LEU  37          HD11      LEU  37  30.918 -31.977 -11.713
  249   HD12  LEU  37          HD12      LEU  37  32.397 -31.759 -10.777
  250   HD13  LEU  37          HD13      LEU  37  31.998 -30.629 -12.071
  251   HD21  LEU  37          HD21      LEU  37  31.439 -31.285  -8.439
  252   HD22  LEU  37          HD22      LEU  37  30.176 -32.164  -9.300
  253   HD23  LEU  37          HD23      LEU  37  29.784 -30.677  -8.438
  254    H    VAL  38           HN       VAL  38  30.749 -26.211  -8.888
  255    HA   VAL  38           HA       VAL  38  27.872 -26.778  -8.705
  256    HB   VAL  38           HB       VAL  38  29.804 -25.310  -6.907
  257   HG11  VAL  38          HG11      VAL  38  26.791 -25.367  -6.939
  258   HG12  VAL  38          HG12      VAL  38  27.868 -23.993  -6.690
  259   HG13  VAL  38          HG13      VAL  38  27.667 -25.197  -5.417
  260   HG21  VAL  38          HG21      VAL  38  29.516 -27.897  -6.981
  261   HG22  VAL  38          HG22      VAL  38  27.954 -27.592  -6.221
  262   HG23  VAL  38          HG23      VAL  38  29.439 -27.098  -5.411
  263    H    PHE  39           HN       PHE  39  30.028 -24.571 -10.099
  264    HA   PHE  39           HA       PHE  39  28.298 -22.255  -9.978
  265    HB2  PHE  39           HB2      PHE  39  30.882 -22.295 -10.176
  266    HB3  PHE  39           HB1      PHE  39  30.593 -22.589 -11.892
  267    HD1  PHE  39           HD2      PHE  39  29.470 -20.911 -13.293
  268    HD2  PHE  39           HD1      PHE  39  30.296 -20.170  -9.143
  269    HE1  PHE  39           HE2      PHE  39  29.031 -18.494 -13.637
  270    HE2  PHE  39           HE1      PHE  39  29.856 -17.754  -9.487
  271    HZ   PHE  39           HZ       PHE  39  29.223 -16.916 -11.734
  272    H    LEU  40           HN       LEU  40  29.328 -24.558 -12.496
  273    HA   LEU  40           HA       LEU  40  27.489 -23.445 -14.430
  274    HB2  LEU  40           HB2      LEU  40  28.221 -25.490 -15.774
  275    HB3  LEU  40           HB1      LEU  40  29.483 -24.332 -15.355
  276    HG   LEU  40           HG       LEU  40  29.139 -26.316 -13.256
  277   HD11  LEU  40          HD11      LEU  40  29.908 -27.312 -16.016
  278   HD12  LEU  40          HD12      LEU  40  28.433 -27.744 -15.150
  279   HD13  LEU  40          HD13      LEU  40  30.004 -28.243 -14.521
  280   HD21  LEU  40          HD21      LEU  40  31.539 -26.439 -13.448
  281   HD22  LEU  40          HD22      LEU  40  31.088 -24.752 -13.696
  282   HD23  LEU  40          HD23      LEU  40  31.497 -25.768 -15.078
  283    H    LEU  41           HN       LEU  41  27.049 -25.336 -11.773
  284    HA   LEU  41           HA       LEU  41  24.667 -26.643 -12.952
  285    HB2  LEU  41           HB2      LEU  41  26.452 -27.719 -10.755
  286    HB3  LEU  41           HB1      LEU  41  24.976 -28.483 -11.341
  287    HG   LEU  41           HG       LEU  41  27.426 -27.897 -13.035
  288   HD11  LEU  41          HD11      LEU  41  26.970 -29.966 -11.168
  289   HD12  LEU  41          HD12      LEU  41  28.245 -29.888 -12.383
  290   HD13  LEU  41          HD13      LEU  41  26.717 -30.684 -12.759
  291   HD21  LEU  41          HD21      LEU  41  24.692 -28.989 -13.594
  292   HD22  LEU  41          HD22      LEU  41  26.057 -29.678 -14.470
  293   HD23  LEU  41          HD23      LEU  41  25.711 -27.954 -14.595
  294    H    GLY  42           HN       GLY  42  25.717 -24.268 -10.955
  295    HA2  GLY  42           HA2      GLY  42  23.223 -24.357  -9.383
  296    HA3  GLY  42           HA1      GLY  42  24.757 -24.060  -8.569
  297    H    THR  43           HN       THR  43  24.982 -22.757 -11.602
  298    HA   THR  43           HA       THR  43  23.733 -20.194 -10.913
  299    HB   THR  43           HB       THR  43  26.552 -20.117 -11.903
  300    HG1  THR  43           HG1      THR  43  26.253 -19.947  -9.186
  301   HG21  THR  43          HG21      THR  43  24.944 -18.370 -10.019
  302   HG22  THR  43          HG22      THR  43  25.139 -18.079 -11.747
  303   HG23  THR  43          HG23      THR  43  26.539 -18.000 -10.677
  304    H    THR  44           HN       THR  44  23.460 -22.421 -12.939
  305    HA   THR  44           HA       THR  44  23.526 -20.693 -15.333
  306    HB   THR  44           HB       THR  44  24.501 -23.528 -15.048
  307    HG1  THR  44           HG1      THR  44  25.910 -21.664 -14.940
  308   HG21  THR  44          HG21      THR  44  23.284 -22.161 -17.425
  309   HG22  THR  44          HG22      THR  44  23.126 -23.837 -16.901
  310   HG23  THR  44          HG23      THR  44  24.619 -23.289 -17.666
  311    H    GLY  45           HN       GLY  45  22.231 -23.688 -13.910
  312    HA2  GLY  45           HA2      GLY  45  19.782 -23.347 -15.521
  313    HA3  GLY  45           HA1      GLY  45  20.301 -24.847 -14.761
  314    H    ASN  46           HN       ASN  46  20.982 -22.625 -12.510
  315    HA   ASN  46           HA       ASN  46  18.502 -23.154 -11.051
  316    HB2  ASN  46           HB2      ASN  46  19.892 -23.330  -9.309
  317    HB3  ASN  46           HB1      ASN  46  21.252 -22.892 -10.341
  318   HD21  ASN  46          HD21      ASN  46  21.840 -20.578 -10.459
  319   HD22  ASN  46          HD22      ASN  46  21.334 -19.503  -9.248
  320    H    GLY  47           HN       GLY  47  20.605 -20.360 -11.767
  321    HA2  GLY  47           HA2      GLY  47  18.840 -18.388 -10.789
  322    HA3  GLY  47           HA1      GLY  47  20.143 -18.112 -11.941
  323    H    LEU  48           HN       LEU  48  19.480 -19.409 -14.155
  324    HA   LEU  48           HA       LEU  48  17.665 -17.831 -15.484
  325    HB2  LEU  48           HB2      LEU  48  19.270 -19.434 -16.547
  326    HB3  LEU  48           HB1      LEU  48  18.192 -20.751 -16.092
  327    HG   LEU  48           HG       LEU  48  16.360 -19.664 -17.393
  328   HD11  LEU  48          HD11      LEU  48  18.502 -17.615 -17.769
  329   HD12  LEU  48          HD12      LEU  48  16.760 -17.403 -17.606
  330   HD13  LEU  48          HD13      LEU  48  17.442 -17.946 -19.138
  331   HD21  LEU  48          HD21      LEU  48  17.744 -21.409 -18.430
  332   HD22  LEU  48          HD22      LEU  48  18.924 -20.196 -18.926
  333   HD23  LEU  48          HD23      LEU  48  17.304 -20.189 -19.626
  334    H    VAL  49           HN       VAL  49  17.030 -21.051 -14.084
  335    HA   VAL  49           HA       VAL  49  14.291 -21.150 -14.714
  336    HB   VAL  49           HB       VAL  49  15.984 -22.488 -12.617
  337   HG11  VAL  49          HG11      VAL  49  13.965 -22.442 -11.440
  338   HG12  VAL  49          HG12      VAL  49  13.803 -23.932 -12.369
  339   HG13  VAL  49          HG13      VAL  49  12.992 -22.463 -12.912
  340   HG21  VAL  49          HG21      VAL  49  15.725 -24.398 -13.997
  341   HG22  VAL  49          HG22      VAL  49  15.954 -23.073 -15.139
  342   HG23  VAL  49          HG23      VAL  49  14.336 -23.707 -14.836
  343    H    LEU  50           HN       LEU  50  15.571 -20.745 -11.414
  344    HA   LEU  50           HA       LEU  50  13.304 -19.786 -10.200
  345    HB2  LEU  50           HB2      LEU  50  16.146 -18.884  -9.670
  346    HB3  LEU  50           HB1      LEU  50  14.790 -18.704  -8.557
  347    HG   LEU  50           HG       LEU  50  15.821 -21.352  -9.627
  348   HD11  LEU  50          HD11      LEU  50  17.331 -21.316  -7.961
  349   HD12  LEU  50          HD12      LEU  50  16.047 -21.046  -6.783
  350   HD13  LEU  50          HD13      LEU  50  16.830 -19.672  -7.563
  351   HD21  LEU  50          HD21      LEU  50  13.529 -20.532  -7.878
  352   HD22  LEU  50          HD22      LEU  50  14.370 -22.033  -7.497
  353   HD23  LEU  50          HD23      LEU  50  13.618 -21.822  -9.077
  354    H    TRP  51           HN       TRP  51  15.287 -18.190 -12.522
  355    HA   TRP  51           HA       TRP  51  14.310 -15.526 -11.874
  356    HB2  TRP  51           HB2      TRP  51  16.575 -15.693 -12.698
  357    HB3  TRP  51           HB1      TRP  51  16.035 -16.573 -14.129
  358    HD1  TRP  51           HD1      TRP  51  16.194 -13.098 -12.620
  359    HE1  TRP  51           HE1      TRP  51  15.531 -11.369 -14.413
  360    HE3  TRP  51           HE3      TRP  51  14.575 -16.230 -16.313
  361    HZ2  TRP  51           HZ2      TRP  51  14.456 -11.319 -17.063
  362    HZ3  TRP  51           HZ3      TRP  51  13.737 -15.317 -18.460
  363    HH2  TRP  51           HH2      TRP  51  13.676 -12.867 -18.838
  364    H    THR  52           HN       THR  52  13.902 -17.940 -14.447
  365    HA   THR  52           HA       THR  52  12.109 -16.399 -16.020
  366    HB   THR  52           HB       THR  52  12.714 -19.346 -15.845
  367    HG1  THR  52           HG1      THR  52  13.022 -18.258 -18.229
  368   HG21  THR  52          HG21      THR  52  10.547 -17.918 -17.357
  369   HG22  THR  52          HG22      THR  52  10.478 -19.465 -16.513
  370   HG23  THR  52          HG23      THR  52  11.318 -19.341 -18.059
  371    H    VAL  53           HN       VAL  53  11.634 -18.800 -13.459
  372    HA   VAL  53           HA       VAL  53   8.826 -18.967 -13.630
  373    HB   VAL  53           HB       VAL  53  10.775 -19.456 -11.381
  374   HG11  VAL  53          HG11      VAL  53   8.818 -18.880 -10.192
  375   HG12  VAL  53          HG12      VAL  53   8.708 -20.634 -10.349
  376   HG13  VAL  53          HG13      VAL  53   7.761 -19.591 -11.412
  377   HG21  VAL  53          HG21      VAL  53  10.545 -21.711 -11.952
  378   HG22  VAL  53          HG22      VAL  53  10.434 -20.938 -13.533
  379   HG23  VAL  53          HG23      VAL  53   8.970 -21.462 -12.704
  380    H    PHE  54           HN       PHE  54  10.891 -17.027 -11.461
  381    HA   PHE  54           HA       PHE  54   8.950 -15.681 -10.039
  382    HB2  PHE  54           HB2      PHE  54  11.749 -15.340 -10.586
  383    HB3  PHE  54           HB1      PHE  54  10.947 -13.769 -10.646
  384    HD1  PHE  54           HD1      PHE  54   9.561 -12.999  -8.700
  385    HD2  PHE  54           HD2      PHE  54  12.005 -16.527  -8.523
  386    HE1  PHE  54           HE1      PHE  54   9.423 -12.971  -6.224
  387    HE2  PHE  54           HE2      PHE  54  11.867 -16.499  -6.047
  388    HZ   PHE  54           HZ       PHE  54  10.575 -14.721  -4.898
  389    H    ARG  55           HN       ARG  55   9.542 -15.545 -13.384
  390    HA   ARG  55           HA       ARG  55   8.181 -12.949 -13.665
  391    HB2  ARG  55           HB2      ARG  55   9.990 -14.569 -15.402
  392    HB3  ARG  55           HB1      ARG  55   8.805 -13.522 -16.183
  393    HG2  ARG  55           HG2      ARG  55   9.749 -11.580 -15.327
  394    HG3  ARG  55           HG1      ARG  55  10.452 -12.411 -13.938
  395    HD2  ARG  55           HD2      ARG  55  11.987 -11.643 -15.949
  396    HD3  ARG  55           HD1      ARG  55  12.274 -13.183 -15.146
  397    HE   ARG  55           HE       ARG  55  11.534 -14.280 -17.071
  398   HH11  ARG  55          HH21      ARG  55  10.857 -10.889 -17.177
  399   HH12  ARG  55          HH22      ARG  55  10.397 -10.892 -18.847
  400   HH21  ARG  55          HH11      ARG  55  10.932 -14.293 -19.261
  401   HH22  ARG  55          HH12      ARG  55  10.440 -12.819 -20.027
  402    H    LYS  56           HN       LYS  56   7.706 -16.344 -13.988
  403    HA   LYS  56           HA       LYS  56   5.339 -15.996 -15.681
  404    HB2  LYS  56           HB2      LYS  56   5.539 -18.198 -16.240
  405    HB3  LYS  56           HB1      LYS  56   7.204 -17.925 -15.731
  406    HG2  LYS  56           HG2      LYS  56   6.456 -18.644 -13.385
  407    HG3  LYS  56           HG1      LYS  56   4.958 -19.194 -14.134
  408    HD2  LYS  56           HD2      LYS  56   7.597 -20.114 -15.259
  409    HD3  LYS  56           HD1      LYS  56   6.931 -20.889 -13.825
  410    HE2  LYS  56           HE2      LYS  56   5.186 -21.832 -14.971
  411    HE3  LYS  56           HE1      LYS  56   5.051 -20.477 -16.092
  412    HZ1  LYS  56           HZ1      LYS  56   6.679 -22.871 -16.265
  413    HZ2  LYS  56           HZ2      LYS  56   7.448 -21.432 -16.742
  414    HZ3  LYS  56           HZ3      LYS  56   6.008 -21.920 -17.500
  415    H    LYS  57           HN       LYS  57   6.268 -16.673 -12.388
  416    HA   LYS  57           HA       LYS  57   3.461 -17.175 -11.650
  417    HB2  LYS  57           HB2      LYS  57   5.550 -18.607 -10.894
  418    HB3  LYS  57           HB1      LYS  57   5.706 -17.334  -9.683
  419    HG2  LYS  57           HG2      LYS  57   3.098 -17.754  -9.402
  420    HG3  LYS  57           HG1      LYS  57   3.515 -19.338 -10.057
  421    HD2  LYS  57           HD2      LYS  57   5.407 -19.345  -8.287
  422    HD3  LYS  57           HD1      LYS  57   4.504 -18.036  -7.523
  423    HE2  LYS  57           HE2      LYS  57   3.706 -20.031  -6.491
  424    HE3  LYS  57           HE1      LYS  57   2.458 -19.577  -7.652
  425    HZ1  LYS  57           HZ1      LYS  57   3.825 -21.973  -7.519
  426    HZ2  LYS  57           HZ2      LYS  57   4.429 -21.181  -8.895
  427    HZ3  LYS  57           HZ3      LYS  57   2.762 -21.465  -8.739
  428    H    GLY  58           HN       GLY  58   5.817 -14.735 -11.705
  429    HA2  GLY  58           HA2      GLY  58   4.804 -13.272  -9.404
  430    HA3  GLY  58           HA1      GLY  58   6.072 -12.744 -10.506
  431    H    HIS  59           HN       HIS  59   4.466 -13.264 -12.899
  432    HA   HIS  59           HA       HIS  59   3.322 -10.740 -13.282
  433    HB2  HIS  59           HB2      HIS  59   3.302 -11.481 -15.394
  434    HB3  HIS  59           HB1      HIS  59   3.728 -13.094 -14.821
  435    HD2  HIS  59           HD2      HIS  59   1.545 -14.905 -14.619
  436    HE1  HIS  59           HE1      HIS  59  -1.342 -12.298 -16.262
  437    HE2  HIS  59           HE2      HIS  59  -0.893 -14.689 -15.530
  438    H    HIS  60           HN       HIS  60   2.137 -13.401 -11.549
  439    HA   HIS  60           HA       HIS  60  -0.501 -12.108 -11.342
  440    HB2  HIS  60           HB2      HIS  60  -0.869 -13.930 -12.882
  441    HB3  HIS  60           HB1      HIS  60  -0.004 -15.052 -11.831
  442    HD2  HIS  60           HD2      HIS  60  -1.513 -16.056  -9.673
  443    HE1  HIS  60           HE1      HIS  60  -5.056 -13.921 -10.518
  444    HE2  HIS  60           HE2      HIS  60  -4.035 -15.743  -9.073
  445    H    HIS  61           HN       HIS  61   0.033 -11.311  -9.307
  446    HA   HIS  61           HA       HIS  61   1.123 -12.967  -7.237
  447    HB2  HIS  61           HB2      HIS  61   0.586 -10.204  -7.617
  448    HB3  HIS  61           HB1      HIS  61  -0.272 -10.711  -6.163
  449    HD2  HIS  61           HD2      HIS  61   3.459 -11.137  -7.524
  450    HE1  HIS  61           HE1      HIS  61   3.520 -10.900  -3.309
  451    HE2  HIS  61           HE2      HIS  61   4.964 -11.091  -5.389
  452    H    HIS  62           HN       HIS  62  -0.245 -12.739  -5.018
  453    HA   HIS  62           HA       HIS  62  -2.466 -14.518  -5.371
  454    HB2  HIS  62           HB2      HIS  62  -0.900 -13.438  -3.143
  455    HB3  HIS  62           HB1      HIS  62  -2.612 -13.637  -2.764
  456    HD2  HIS  62           HD2      HIS  62  -3.432 -16.428  -3.959
  457    HE1  HIS  62           HE1      HIS  62   0.195 -18.010  -2.488
  458    HE2  HIS  62           HE2      HIS  62  -2.113 -18.602  -3.367
  459    H    HIS  63           HN       HIS  63  -2.559 -11.621  -3.340
  460    HA   HIS  63           HA       HIS  63  -5.251 -11.055  -4.380
  461    HB2  HIS  63           HB2      HIS  63  -3.933  -9.746  -2.004
  462    HB3  HIS  63           HB1      HIS  63  -5.654  -9.864  -2.372
  463    HD2  HIS  63           HD2      HIS  63  -5.808 -13.131  -2.909
  464    HE1  HIS  63           HE1      HIS  63  -4.183 -13.457   0.974
  465    HE2  HIS  63           HE2      HIS  63  -5.408 -14.707  -0.865
  466    H    HIS  64           HN       HIS  64  -3.146 -10.417  -6.102
  467    HA   HIS  64           HA       HIS  64  -2.108  -8.672  -7.215
  468    HB2  HIS  64           HB2      HIS  64  -4.511  -6.994  -6.656
  469    HB3  HIS  64           HB1      HIS  64  -3.670  -7.282  -8.178
  470    HD2  HIS  64           HD2      HIS  64  -4.626  -9.476  -9.658
  471    HE1  HIS  64           HE1      HIS  64  -7.538 -10.728  -6.870
  472    HE2  HIS  64           HE2      HIS  64  -6.636 -11.083  -9.217
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  27.424  12.842  -9.993
    2    H2   MET   1           HT2      MET   1  29.089  12.558  -9.812
    3    H3   MET   1           HT3      MET   1  28.520  14.131 -10.107
    4    HA   MET   1           HA       MET   1  29.039  14.048  -7.821
    5    HB2  MET   1           HB2      MET   1  26.893  15.145  -8.429
    6    HB3  MET   1           HB1      MET   1  26.056  13.615  -8.166
    7    HG2  MET   1           HG2      MET   1  27.711  14.188  -5.885
    8    HG3  MET   1           HG1      MET   1  26.694  15.587  -6.230
    9    HE1  MET   1           HE1      MET   1  24.433  15.113  -7.322
   10    HE2  MET   1           HE2      MET   1  23.922  15.560  -5.697
   11    HE3  MET   1           HE3      MET   1  23.189  14.168  -6.490
   12    H    GLU   2           HN       GLU   2  29.688  11.454  -8.585
   13    HA   GLU   2           HA       GLU   2  28.895   9.988  -6.192
   14    HB2  GLU   2           HB2      GLU   2  28.658   7.971  -8.014
   15    HB3  GLU   2           HB1      GLU   2  27.295   8.858  -7.331
   16    HG2  GLU   2           HG2      GLU   2  27.203  10.342  -9.210
   17    HG3  GLU   2           HG1      GLU   2  28.749   9.759  -9.826
   18    H    GLU   3           HN       GLU   3  30.643   9.048  -5.359
   19    HA   GLU   3           HA       GLU   3  32.802   8.288  -5.141
   20    HB2  GLU   3           HB2      GLU   3  32.570   7.239  -7.954
   21    HB3  GLU   3           HB1      GLU   3  33.419   6.533  -6.578
   22    HG2  GLU   3           HG2      GLU   3  31.209   6.203  -5.448
   23    HG3  GLU   3           HG1      GLU   3  30.417   6.772  -6.918
   24    H    GLY   4           HN       GLY   4  35.037   8.337  -6.163
   25    HA2  GLY   4           HA2      GLY   4  35.385  10.457  -8.158
   26    HA3  GLY   4           HA1      GLY   4  36.093  10.721  -6.567
   27    H    GLY   5           HN       GLY   5  38.238  10.517  -6.887
   28    HA2  GLY   5           HA2      GLY   5  39.260   7.899  -7.670
   29    HA3  GLY   5           HA1      GLY   5  39.746   9.251  -8.688
   30    H    ASP   6           HN       ASP   6  39.900   7.909  -5.436
   31    HA   ASP   6           HA       ASP   6  42.476   9.227  -5.039
   32    HB2  ASP   6           HB2      ASP   6  40.096   9.625  -3.220
   33    HB3  ASP   6           HB1      ASP   6  41.756   9.960  -2.730
   34    H    PHE   7           HN       PHE   7  42.322   6.636  -5.541
   35    HA   PHE   7           HA       PHE   7  42.213   5.207  -2.972
   36    HB2  PHE   7           HB2      PHE   7  42.558   4.041  -5.741
   37    HB3  PHE   7           HB1      PHE   7  42.139   3.180  -4.259
   38    HD1  PHE   7           HD1      PHE   7  39.967   3.902  -3.042
   39    HD2  PHE   7           HD2      PHE   7  40.866   4.917  -7.118
   40    HE1  PHE   7           HE1      PHE   7  37.564   4.347  -3.462
   41    HE2  PHE   7           HE2      PHE   7  38.463   5.362  -7.537
   42    HZ   PHE   7           HZ       PHE   7  36.811   5.078  -5.709
   43    H    ASP   8           HN       ASP   8  43.952   3.810  -2.353
   44    HA   ASP   8           HA       ASP   8  46.566   4.864  -3.181
   45    HB2  ASP   8           HB2      ASP   8  45.487   4.213  -0.692
   46    HB3  ASP   8           HB1      ASP   8  46.616   2.904  -1.038
   47    H    ASN   9           HN       ASN   9  44.905   2.906  -4.745
   48    HA   ASN   9           HA       ASN   9  45.673   0.299  -4.687
   49    HB2  ASN   9           HB2      ASN   9  45.076   2.200  -6.888
   50    HB3  ASN   9           HB1      ASN   9  45.857   0.687  -7.340
   51   HD21  ASN   9          HD21      ASN   9  43.527   1.191  -4.660
   52   HD22  ASN   9          HD22      ASN   9  42.349   0.141  -5.286
   53    H    TYR  10           HN       TYR  10  47.323   2.098  -7.202
   54    HA   TYR  10           HA       TYR  10  49.606   0.631  -7.357
   55    HB2  TYR  10           HB2      TYR  10  50.711   2.976  -7.904
   56    HB3  TYR  10           HB1      TYR  10  49.515   2.264  -8.985
   57    HD1  TYR  10           HD2      TYR  10  47.216   3.107  -9.065
   58    HD2  TYR  10           HD1      TYR  10  50.149   4.869  -6.467
   59    HE1  TYR  10           HE2      TYR  10  45.734   5.066  -8.721
   60    HE2  TYR  10           HE1      TYR  10  48.667   6.828  -6.123
   61    HH   TYR  10           HH       TYR  10  45.726   6.985  -6.445
   62    H    TYR  11           HN       TYR  11  51.332   0.224  -6.123
   63    HA   TYR  11           HA       TYR  11  52.941   0.448  -4.485
   64    HB2  TYR  11           HB2      TYR  11  52.589   3.001  -5.173
   65    HB3  TYR  11           HB1      TYR  11  51.887   3.077  -3.556
   66    HD1  TYR  11           HD2      TYR  11  54.915   1.887  -5.406
   67    HD2  TYR  11           HD1      TYR  11  53.276   3.212  -1.663
   68    HE1  TYR  11           HE2      TYR  11  57.189   1.908  -4.418
   69    HE2  TYR  11           HE1      TYR  11  55.551   3.234  -0.675
   70    HH   TYR  11           HH       TYR  11  58.130   1.691  -1.969
   71    H    GLY  12           HN       GLY  12  50.497  -0.862  -4.032
   72    HA2  GLY  12           HA2      GLY  12  50.478  -1.540  -1.430
   73    HA3  GLY  12           HA1      GLY  12  49.501  -0.076  -1.419
   74    H    ALA  13           HN       ALA  13  49.541  -2.198  -4.176
   75    HA   ALA  13           HA       ALA  13  46.864  -3.224  -3.447
   76    HB1  ALA  13           HB1      ALA  13  46.049  -1.975  -5.131
   77    HB2  ALA  13           HB2      ALA  13  46.876  -3.094  -6.215
   78    HB3  ALA  13           HB3      ALA  13  47.663  -1.592  -5.730
   79    H    ASP  14           HN       ASP  14  49.959  -3.746  -4.961
   80    HA   ASP  14           HA       ASP  14  49.213  -6.462  -5.780
   81    HB2  ASP  14           HB2      ASP  14  51.674  -4.771  -6.238
   82    HB3  ASP  14           HB1      ASP  14  51.582  -6.471  -6.696
   83    H    ASN  15           HN       ASN  15  50.967  -4.744  -3.325
   84    HA   ASN  15           HA       ASN  15  52.721  -6.697  -2.392
   85    HB2  ASN  15           HB2      ASN  15  51.652  -4.210  -1.446
   86    HB3  ASN  15           HB1      ASN  15  51.632  -5.382  -0.130
   87   HD21  ASN  15          HD21      ASN  15  53.593  -5.668   0.950
   88   HD22  ASN  15          HD22      ASN  15  55.107  -5.205   0.341
   89    H    GLN  16           HN       GLN  16  49.261  -6.481  -2.140
   90    HA   GLN  16           HA       GLN  16  49.137  -8.598  -0.123
   91    HB2  GLN  16           HB2      GLN  16  46.703  -8.216  -0.208
   92    HB3  GLN  16           HB1      GLN  16  47.578  -6.712   0.078
   93    HG2  GLN  16           HG2      GLN  16  46.557  -5.834  -1.722
   94    HG3  GLN  16           HG1      GLN  16  47.425  -6.993  -2.726
   95   HE21  GLN  16          HE21      GLN  16  46.267  -8.876  -3.477
   96   HE22  GLN  16          HE22      GLN  16  44.592  -9.048  -3.264
   97    H    SER  17           HN       SER  17  49.512  -8.420  -3.404
   98    HA   SER  17           HA       SER  17  47.849 -10.761  -4.008
   99    HB2  SER  17           HB2      SER  17  48.120  -8.628  -5.505
  100    HB3  SER  17           HB1      SER  17  49.624  -9.395  -6.004
  101    HG   SER  17           HG       SER  17  48.524 -10.958  -6.955
  102    H    GLU  18           HN       GLU  18  51.243  -9.705  -4.252
  103    HA   GLU  18           HA       GLU  18  52.348 -12.096  -5.170
  104    HB2  GLU  18           HB2      GLU  18  54.436 -11.219  -4.563
  105    HB3  GLU  18           HB1      GLU  18  53.451  -9.777  -4.814
  106    HG2  GLU  18           HG2      GLU  18  52.904 -10.017  -2.268
  107    HG3  GLU  18           HG1      GLU  18  54.357 -11.015  -2.229
  108    H    CYS  19           HN       CYS  19  51.181 -11.216  -2.017
  109    HA   CYS  19           HA       CYS  19  52.523 -13.352  -0.615
  110    HB2  CYS  19           HB2      CYS  19  50.168 -11.645   0.227
  111    HB3  CYS  19           HB1      CYS  19  51.130 -12.679   1.284
  112    HG   CYS  19           HG       CYS  19  52.059  -9.978   0.087
  113    H    GLU  20           HN       GLU  20  49.470 -12.895  -2.252
  114    HA   GLU  20           HA       GLU  20  48.389 -15.406  -1.222
  115    HB2  GLU  20           HB2      GLU  20  47.238 -13.448  -3.226
  116    HB3  GLU  20           HB1      GLU  20  46.387 -14.816  -2.507
  117    HG2  GLU  20           HG2      GLU  20  47.634 -12.615  -0.848
  118    HG3  GLU  20           HG1      GLU  20  45.962 -12.557  -1.405
  119    H    TYR  21           HN       TYR  21  49.888 -14.099  -4.096
  120    HA   TYR  21           HA       TYR  21  49.172 -15.942  -6.033
  121    HB2  TYR  21           HB2      TYR  21  50.498 -14.110  -6.725
  122    HB3  TYR  21           HB1      TYR  21  51.752 -14.463  -5.537
  123    HD1  TYR  21           HD1      TYR  21  50.247 -15.498  -8.747
  124    HD2  TYR  21           HD2      TYR  21  53.392 -16.212  -5.909
  125    HE1  TYR  21           HE1      TYR  21  51.421 -16.920 -10.405
  126    HE2  TYR  21           HE2      TYR  21  54.566 -17.634  -7.568
  127    HH   TYR  21           HH       TYR  21  53.263 -18.078 -10.856
  128    H    THR  22           HN       THR  22  51.582 -16.238  -3.464
  129    HA   THR  22           HA       THR  22  52.666 -18.721  -4.343
  130    HB   THR  22           HB       THR  22  53.577 -16.986  -2.600
  131    HG1  THR  22           HG1      THR  22  54.956 -18.552  -2.698
  132   HG21  THR  22          HG21      THR  22  51.440 -17.438  -1.185
  133   HG22  THR  22          HG22      THR  22  52.992 -17.330  -0.353
  134   HG23  THR  22          HG23      THR  22  52.277 -18.908  -0.684
  135    H    ASP  23           HN       ASP  23  49.695 -17.884  -2.935
  136    HA   ASP  23           HA       ASP  23  49.274 -20.597  -1.864
  137    HB2  ASP  23           HB2      ASP  23  48.634 -18.170  -0.781
  138    HB3  ASP  23           HB1      ASP  23  47.119 -18.614  -1.568
  139    H    TRP  24           HN       TRP  24  47.784 -18.183  -4.012
  140    HA   TRP  24           HA       TRP  24  45.562 -19.466  -4.915
  141    HB2  TRP  24           HB2      TRP  24  45.980 -17.351  -5.852
  142    HB3  TRP  24           HB1      TRP  24  47.594 -17.811  -6.396
  143    HD1  TRP  24           HD1      TRP  24  43.927 -18.856  -7.073
  144    HE1  TRP  24           HE1      TRP  24  43.723 -19.482  -9.565
  145    HE3  TRP  24           HE3      TRP  24  48.784 -18.261  -8.534
  146    HZ2  TRP  24           HZ2      TRP  24  45.398 -19.703 -11.873
  147    HZ3  TRP  24           HZ3      TRP  24  49.451 -18.685 -10.883
  148    HH2  TRP  24           HH2      TRP  24  47.766 -19.405 -12.553
  149    H    LYS  25           HN       LYS  25  48.844 -19.943  -6.235
  150    HA   LYS  25           HA       LYS  25  48.305 -21.853  -8.152
  151    HB2  LYS  25           HB2      LYS  25  50.690 -21.741  -6.292
  152    HB3  LYS  25           HB1      LYS  25  50.614 -22.648  -7.803
  153    HG2  LYS  25           HG2      LYS  25  50.123 -20.507  -9.004
  154    HG3  LYS  25           HG1      LYS  25  50.374 -19.644  -7.485
  155    HD2  LYS  25           HD2      LYS  25  52.587 -19.627  -7.874
  156    HD3  LYS  25           HD1      LYS  25  52.593 -21.391  -7.841
  157    HE2  LYS  25           HE2      LYS  25  51.950 -19.702 -10.276
  158    HE3  LYS  25           HE1      LYS  25  53.492 -20.507  -9.980
  159    HZ1  LYS  25           HZ1      LYS  25  51.075 -21.586 -11.005
  160    HZ2  LYS  25           HZ2      LYS  25  51.563 -22.435  -9.616
  161    HZ3  LYS  25           HZ3      LYS  25  52.619 -22.286 -10.939
  162    H    SER  26           HN       SER  26  48.444 -22.211  -4.669
  163    HA   SER  26           HA       SER  26  48.238 -25.116  -4.819
  164    HB2  SER  26           HB2      SER  26  49.608 -24.042  -3.054
  165    HB3  SER  26           HB1      SER  26  48.155 -23.281  -2.413
  166    HG   SER  26           HG       SER  26  48.259 -26.064  -2.831
  167    H    SER  27           HN       SER  27  46.279 -22.396  -3.603
  168    HA   SER  27           HA       SER  27  43.985 -24.130  -3.193
  169    HB2  SER  27           HB2      SER  27  44.538 -21.210  -2.750
  170    HB3  SER  27           HB1      SER  27  42.891 -21.831  -2.691
  171    HG   SER  27           HG       SER  27  44.217 -23.520  -1.289
  172    H    GLY  28           HN       GLY  28  45.265 -23.339  -5.919
  173    HA2  GLY  28           HA2      GLY  28  42.701 -22.666  -7.240
  174    HA3  GLY  28           HA1      GLY  28  44.234 -21.984  -7.776
  175    H    ALA  29           HN       ALA  29  43.702 -25.295  -6.679
  176    HA   ALA  29           HA       ALA  29  43.865 -26.296  -9.427
  177    HB1  ALA  29           HB1      ALA  29  45.872 -27.364  -9.229
  178    HB2  ALA  29           HB2      ALA  29  45.679 -27.634  -7.497
  179    HB3  ALA  29           HB3      ALA  29  46.190 -26.054  -8.093
  180    H    LEU  30           HN       LEU  30  42.568 -26.405  -6.371
  181    HA   LEU  30           HA       LEU  30  41.402 -29.057  -6.900
  182    HB2  LEU  30           HB2      LEU  30  41.522 -29.507  -4.417
  183    HB3  LEU  30           HB1      LEU  30  43.074 -29.532  -5.254
  184    HG   LEU  30           HG       LEU  30  42.473 -26.840  -4.400
  185   HD11  LEU  30          HD11      LEU  30  42.516 -27.189  -1.976
  186   HD12  LEU  30          HD12      LEU  30  42.541 -28.937  -2.208
  187   HD13  LEU  30          HD13      LEU  30  41.114 -28.008  -2.667
  188   HD21  LEU  30          HD21      LEU  30  44.712 -27.707  -4.932
  189   HD22  LEU  30          HD22      LEU  30  44.597 -28.857  -3.601
  190   HD23  LEU  30          HD23      LEU  30  44.666 -27.127  -3.268
  191    H    ILE  31           HN       ILE  31  41.189 -25.917  -5.333
  192    HA   ILE  31           HA       ILE  31  38.522 -26.306  -4.351
  193    HB   ILE  31           HB       ILE  31  39.681 -23.589  -4.833
  194   HG12  ILE  31          HG12      ILE  31  40.705 -25.723  -2.973
  195   HG13  ILE  31          HG11      ILE  31  41.618 -24.564  -3.939
  196   HG21  ILE  31          HG21      ILE  31  38.361 -24.679  -2.356
  197   HG22  ILE  31          HG22      ILE  31  37.393 -24.198  -3.749
  198   HG23  ILE  31          HG23      ILE  31  38.417 -23.014  -2.936
  199   HD11  ILE  31          HD11      ILE  31  41.806 -23.692  -1.765
  200   HD12  ILE  31          HD12      ILE  31  40.142 -24.111  -1.354
  201   HD13  ILE  31          HD13      ILE  31  40.469 -22.766  -2.446
  202    HA   PRO  32           HA       PRO  32  37.586 -23.608  -8.332
  203    HB2  PRO  32           HB2      PRO  32  39.372 -24.962 -10.259
  204    HB3  PRO  32           HB1      PRO  32  39.046 -23.234 -10.050
  205    HG2  PRO  32           HG2      PRO  32  41.374 -24.360  -9.333
  206    HG3  PRO  32           HG1      PRO  32  40.671 -22.980  -8.470
  207    HD2  PRO  32           HD2      PRO  32  40.751 -25.862  -7.675
  208    HD3  PRO  32           HD1      PRO  32  40.850 -24.408  -6.659
  209    H    ALA  33           HN       ALA  33  38.530 -26.994  -8.361
  210    HA   ALA  33           HA       ALA  33  36.916 -28.003 -10.379
  211    HB1  ALA  33           HB1      ALA  33  36.878 -30.115  -8.969
  212    HB2  ALA  33           HB2      ALA  33  37.754 -29.204  -7.738
  213    HB3  ALA  33           HB3      ALA  33  38.479 -29.465  -9.324
  214    H    ILE  34           HN       ILE  34  36.033 -28.414  -6.954
  215    HA   ILE  34           HA       ILE  34  33.343 -28.928  -7.369
  216    HB   ILE  34           HB       ILE  34  34.882 -27.813  -5.051
  217   HG12  ILE  34          HG12      ILE  34  33.105 -30.254  -5.317
  218   HG13  ILE  34          HG11      ILE  34  34.826 -30.268  -5.706
  219   HG21  ILE  34          HG21      ILE  34  32.870 -26.620  -4.720
  220   HG22  ILE  34          HG22      ILE  34  32.622 -28.099  -3.795
  221   HG23  ILE  34          HG23      ILE  34  31.884 -27.922  -5.385
  222   HD11  ILE  34          HD11      ILE  34  35.430 -29.712  -3.454
  223   HD12  ILE  34          HD12      ILE  34  34.245 -31.015  -3.347
  224   HD13  ILE  34          HD13      ILE  34  33.757 -29.349  -3.031
  225    H    TYR  35           HN       TYR  35  34.860 -25.792  -6.611
  226    HA   TYR  35           HA       TYR  35  32.725 -24.115  -6.516
  227    HB2  TYR  35           HB2      TYR  35  35.517 -23.866  -7.266
  228    HB3  TYR  35           HB1      TYR  35  34.505 -22.751  -8.185
  229    HD1  TYR  35           HD1      TYR  35  35.275 -23.916  -4.725
  230    HD2  TYR  35           HD2      TYR  35  33.582 -20.819  -7.173
  231    HE1  TYR  35           HE1      TYR  35  35.066 -22.455  -2.732
  232    HE2  TYR  35           HE2      TYR  35  33.373 -19.357  -5.180
  233    HH   TYR  35           HH       TYR  35  34.504 -20.448  -1.977
  234    H    MET  36           HN       MET  36  34.395 -25.019  -9.538
  235    HA   MET  36           HA       MET  36  32.578 -23.804 -11.297
  236    HB2  MET  36           HB2      MET  36  34.716 -25.838 -11.491
  237    HB3  MET  36           HB1      MET  36  33.501 -25.887 -12.768
  238    HG2  MET  36           HG2      MET  36  35.499 -24.374 -13.219
  239    HG3  MET  36           HG1      MET  36  33.918 -23.609 -13.378
  240    HE1  MET  36           HE1      MET  36  34.212 -20.605 -11.426
  241    HE2  MET  36           HE2      MET  36  33.115 -21.724 -12.231
  242    HE3  MET  36           HE3      MET  36  34.564 -21.169 -13.065
  243    H    LEU  37           HN       LEU  37  32.785 -27.207 -10.252
  244    HA   LEU  37           HA       LEU  37  30.617 -28.243 -11.609
  245    HB2  LEU  37           HB2      LEU  37  32.330 -29.329  -9.913
  246    HB3  LEU  37           HB1      LEU  37  31.026 -29.049  -8.759
  247    HG   LEU  37           HG       LEU  37  29.550 -30.123 -10.691
  248   HD11  LEU  37          HD11      LEU  37  30.672 -31.651 -12.083
  249   HD12  LEU  37          HD12      LEU  37  32.122 -31.642 -11.079
  250   HD13  LEU  37          HD13      LEU  37  31.743 -30.250 -12.093
  251   HD21  LEU  37          HD21      LEU  37  30.058 -32.388  -9.625
  252   HD22  LEU  37          HD22      LEU  37  29.634 -31.096  -8.502
  253   HD23  LEU  37          HD23      LEU  37  31.321 -31.569  -8.705
  254    H    VAL  38           HN       VAL  38  30.652 -26.557  -8.485
  255    HA   VAL  38           HA       VAL  38  27.786 -26.735  -8.178
  256    HB   VAL  38           HB       VAL  38  29.898 -25.169  -6.681
  257   HG11  VAL  38          HG11      VAL  38  27.854 -25.192  -4.979
  258   HG12  VAL  38          HG12      VAL  38  26.914 -25.270  -6.470
  259   HG13  VAL  38          HG13      VAL  38  28.012 -23.918  -6.189
  260   HG21  VAL  38          HG21      VAL  38  28.256 -27.533  -5.754
  261   HG22  VAL  38          HG22      VAL  38  29.733 -26.885  -5.040
  262   HG23  VAL  38          HG23      VAL  38  29.799 -27.742  -6.581
  263    H    PHE  39           HN       PHE  39  29.909 -24.698  -9.894
  264    HA   PHE  39           HA       PHE  39  28.265 -22.320  -9.764
  265    HB2  PHE  39           HB2      PHE  39  30.768 -22.313 -10.134
  266    HB3  PHE  39           HB1      PHE  39  30.453 -22.932 -11.754
  267    HD1  PHE  39           HD1      PHE  39  29.201 -21.575 -13.403
  268    HD2  PHE  39           HD2      PHE  39  30.247 -20.031  -9.534
  269    HE1  PHE  39           HE1      PHE  39  28.715 -19.274 -14.190
  270    HE2  PHE  39           HE2      PHE  39  29.761 -17.730 -10.321
  271    HZ   PHE  39           HZ       PHE  39  28.995 -17.351 -12.649
  272    H    LEU  40           HN       LEU  40  29.191 -24.499 -12.445
  273    HA   LEU  40           HA       LEU  40  27.175 -23.509 -14.191
  274    HB2  LEU  40           HB2      LEU  40  27.707 -25.632 -15.503
  275    HB3  LEU  40           HB1      LEU  40  29.046 -24.521 -15.232
  276    HG   LEU  40           HG       LEU  40  28.860 -26.364 -13.016
  277   HD11  LEU  40          HD11      LEU  40  27.764 -27.846 -14.667
  278   HD12  LEU  40          HD12      LEU  40  29.364 -28.444 -14.226
  279   HD13  LEU  40          HD13      LEU  40  29.125 -27.616 -15.765
  280   HD21  LEU  40          HD21      LEU  40  30.947 -26.133 -15.205
  281   HD22  LEU  40          HD22      LEU  40  31.188 -26.739 -13.567
  282   HD23  LEU  40          HD23      LEU  40  30.847 -25.030 -13.832
  283    H    LEU  41           HN       LEU  41  26.836 -25.253 -11.429
  284    HA   LEU  41           HA       LEU  41  24.350 -26.544 -12.394
  285    HB2  LEU  41           HB2      LEU  41  26.147 -27.490 -10.149
  286    HB3  LEU  41           HB1      LEU  41  24.665 -28.273 -10.696
  287    HG   LEU  41           HG       LEU  41  27.134 -27.828 -12.405
  288   HD11  LEU  41          HD11      LEU  41  27.237 -29.545 -10.481
  289   HD12  LEU  41          HD12      LEU  41  27.642 -30.122 -12.099
  290   HD13  LEU  41          HD13      LEU  41  26.055 -30.467 -11.410
  291   HD21  LEU  41          HD21      LEU  41  25.405 -27.945 -13.955
  292   HD22  LEU  41          HD22      LEU  41  24.391 -28.939 -12.909
  293   HD23  LEU  41          HD23      LEU  41  25.763 -29.659 -13.752
  294    H    GLY  42           HN       GLY  42  25.706 -24.180 -10.447
  295    HA2  GLY  42           HA2      GLY  42  23.193 -23.936  -8.913
  296    HA3  GLY  42           HA1      GLY  42  24.747 -23.783  -8.098
  297    H    THR  43           HN       THR  43  24.997 -22.607 -11.217
  298    HA   THR  43           HA       THR  43  24.068 -19.907 -10.590
  299    HB   THR  43           HB       THR  43  26.874 -20.103 -11.579
  300    HG1  THR  43           HG1      THR  43  25.968 -20.691  -8.982
  301   HG21  THR  43          HG21      THR  43  27.055 -17.961 -10.635
  302   HG22  THR  43          HG22      THR  43  25.727 -18.244  -9.509
  303   HG23  THR  43          HG23      THR  43  25.392 -17.993 -11.222
  304    H    THR  44           HN       THR  44  23.652 -22.193 -12.566
  305    HA   THR  44           HA       THR  44  23.843 -20.528 -14.998
  306    HB   THR  44           HB       THR  44  24.632 -23.413 -14.643
  307    HG1  THR  44           HG1      THR  44  26.365 -22.534 -16.003
  308   HG21  THR  44          HG21      THR  44  24.795 -23.235 -17.263
  309   HG22  THR  44          HG22      THR  44  23.538 -22.015 -17.061
  310   HG23  THR  44          HG23      THR  44  23.261 -23.668 -16.508
  311    H    GLY  45           HN       GLY  45  22.350 -23.396 -13.512
  312    HA2  GLY  45           HA2      GLY  45  19.941 -22.945 -15.155
  313    HA3  GLY  45           HA1      GLY  45  20.357 -24.455 -14.348
  314    H    ASN  46           HN       ASN  46  21.155 -22.165 -12.181
  315    HA   ASN  46           HA       ASN  46  18.658 -22.528 -10.699
  316    HB2  ASN  46           HB2      ASN  46  20.009 -22.607  -8.917
  317    HB3  ASN  46           HB1      ASN  46  21.392 -22.408  -9.990
  318   HD21  ASN  46          HD21      ASN  46  22.121 -20.139 -10.412
  319   HD22  ASN  46          HD22      ASN  46  21.771 -18.927  -9.276
  320    H    GLY  47           HN       GLY  47  20.841 -19.868 -11.637
  321    HA2  GLY  47           HA2      GLY  47  19.165 -17.776 -10.725
  322    HA3  GLY  47           HA1      GLY  47  20.469 -17.611 -11.897
  323    H    LEU  48           HN       LEU  48  19.625 -19.207 -13.955
  324    HA   LEU  48           HA       LEU  48  17.878 -17.568 -15.384
  325    HB2  LEU  48           HB2      LEU  48  19.441 -19.252 -16.380
  326    HB3  LEU  48           HB1      LEU  48  18.350 -20.524 -15.839
  327    HG   LEU  48           HG       LEU  48  16.517 -19.484 -17.175
  328   HD11  LEU  48          HD11      LEU  48  16.950 -17.243 -17.513
  329   HD12  LEU  48          HD12      LEU  48  17.597 -17.881 -19.024
  330   HD13  LEU  48          HD13      LEU  48  18.686 -17.494 -17.694
  331   HD21  LEU  48          HD21      LEU  48  19.014 -20.622 -18.275
  332   HD22  LEU  48          HD22      LEU  48  17.981 -19.816 -19.456
  333   HD23  LEU  48          HD23      LEU  48  17.344 -21.149 -18.492
  334    H    VAL  49           HN       VAL  49  17.220 -20.632 -13.696
  335    HA   VAL  49           HA       VAL  49  14.484 -20.798 -14.328
  336    HB   VAL  49           HB       VAL  49  16.170 -21.912 -12.099
  337   HG11  VAL  49          HG11      VAL  49  13.178 -21.940 -12.415
  338   HG12  VAL  49          HG12      VAL  49  14.135 -21.726 -10.950
  339   HG13  VAL  49          HG13      VAL  49  14.001 -23.321 -11.691
  340   HG21  VAL  49          HG21      VAL  49  14.602 -23.168 -14.376
  341   HG22  VAL  49          HG22      VAL  49  15.653 -24.025 -13.247
  342   HG23  VAL  49          HG23      VAL  49  16.341 -22.867 -14.387
  343    H    LEU  50           HN       LEU  50  15.768 -20.032 -11.092
  344    HA   LEU  50           HA       LEU  50  13.545 -19.013  -9.911
  345    HB2  LEU  50           HB2      LEU  50  16.416 -18.119  -9.697
  346    HB3  LEU  50           HB1      LEU  50  15.146 -17.422  -8.691
  347    HG   LEU  50           HG       LEU  50  15.319 -20.402  -8.871
  348   HD11  LEU  50          HD11      LEU  50  17.614 -19.979  -8.442
  349   HD12  LEU  50          HD12      LEU  50  16.908 -20.235  -6.846
  350   HD13  LEU  50          HD13      LEU  50  17.251 -18.599  -7.407
  351   HD21  LEU  50          HD21      LEU  50  14.203 -20.315  -6.833
  352   HD22  LEU  50          HD22      LEU  50  13.628 -18.821  -7.573
  353   HD23  LEU  50          HD23      LEU  50  14.930 -18.772  -6.384
  354    H    TRP  51           HN       TRP  51  15.496 -17.470 -12.374
  355    HA   TRP  51           HA       TRP  51  14.285 -14.875 -12.091
  356    HB2  TRP  51           HB2      TRP  51  16.511 -15.011 -13.015
  357    HB3  TRP  51           HB1      TRP  51  15.966 -16.107 -14.284
  358    HD1  TRP  51           HD1      TRP  51  15.901 -12.453 -13.234
  359    HE1  TRP  51           HE1      TRP  51  15.067 -11.026 -15.213
  360    HE3  TRP  51           HE3      TRP  51  14.475 -16.153 -16.451
  361    HZ2  TRP  51           HZ2      TRP  51  13.944 -11.404 -17.816
  362    HZ3  TRP  51           HZ3      TRP  51  13.528 -15.592 -18.671
  363    HH2  TRP  51           HH2      TRP  51  13.261 -13.223 -19.356
  364    H    THR  52           HN       THR  52  14.019 -17.499 -14.494
  365    HA   THR  52           HA       THR  52  11.975 -16.288 -16.026
  366    HB   THR  52           HB       THR  52  12.986 -19.097 -15.711
  367    HG1  THR  52           HG1      THR  52  13.985 -18.552 -17.465
  368   HG21  THR  52          HG21      THR  52  10.458 -18.182 -17.066
  369   HG22  THR  52          HG22      THR  52  10.714 -19.596 -16.043
  370   HG23  THR  52          HG23      THR  52  11.358 -19.567 -17.684
  371    H    VAL  53           HN       VAL  53  11.872 -18.602 -13.334
  372    HA   VAL  53           HA       VAL  53   9.112 -19.074 -13.311
  373    HB   VAL  53           HB       VAL  53  11.199 -19.114 -11.137
  374   HG11  VAL  53          HG11      VAL  53   9.317 -20.426  -9.904
  375   HG12  VAL  53          HG12      VAL  53   8.223 -19.561 -10.983
  376   HG13  VAL  53          HG13      VAL  53   9.263 -18.663  -9.877
  377   HG21  VAL  53          HG21      VAL  53  11.090 -21.473 -11.412
  378   HG22  VAL  53          HG22      VAL  53  11.070 -20.832 -13.055
  379   HG23  VAL  53          HG23      VAL  53   9.570 -21.378 -12.303
  380    H    PHE  54           HN       PHE  54  11.023 -16.610 -11.602
  381    HA   PHE  54           HA       PHE  54   8.926 -15.411 -10.182
  382    HB2  PHE  54           HB2      PHE  54  11.666 -14.676 -10.984
  383    HB3  PHE  54           HB1      PHE  54  10.588 -13.309 -10.699
  384    HD1  PHE  54           HD1      PHE  54  10.698 -16.695  -9.107
  385    HD2  PHE  54           HD2      PHE  54  11.124 -12.454  -8.579
  386    HE1  PHE  54           HE1      PHE  54  10.922 -17.023  -6.659
  387    HE2  PHE  54           HE2      PHE  54  11.350 -12.782  -6.131
  388    HZ   PHE  54           HZ       PHE  54  11.248 -15.066  -5.171
  389    H    ARG  55           HN       ARG  55   9.524 -15.490 -13.526
  390    HA   ARG  55           HA       ARG  55   7.789 -13.139 -13.988
  391    HB2  ARG  55           HB2      ARG  55  10.050 -14.352 -15.512
  392    HB3  ARG  55           HB1      ARG  55   8.754 -13.580 -16.425
  393    HG2  ARG  55           HG2      ARG  55   9.226 -11.477 -15.586
  394    HG3  ARG  55           HG1      ARG  55   9.865 -12.109 -14.068
  395    HD2  ARG  55           HD2      ARG  55  11.337 -12.729 -16.598
  396    HD3  ARG  55           HD1      ARG  55  11.489 -11.114 -15.912
  397    HE   ARG  55           HE       ARG  55  12.698 -13.489 -14.897
  398   HH11  ARG  55          HH21      ARG  55  11.155 -10.530 -13.982
  399   HH12  ARG  55          HH22      ARG  55  11.971 -10.415 -12.458
  400   HH21  ARG  55          HH11      ARG  55  13.768 -13.347 -12.898
  401   HH22  ARG  55          HH12      ARG  55  13.450 -12.010 -11.845
  402    H    LYS  56           HN       LYS  56   7.481 -16.329 -13.623
  403    HA   LYS  56           HA       LYS  56   5.435 -16.560 -15.749
  404    HB2  LYS  56           HB2      LYS  56   6.125 -18.655 -16.275
  405    HB3  LYS  56           HB1      LYS  56   7.644 -18.124 -15.559
  406    HG2  LYS  56           HG2      LYS  56   6.770 -19.008 -13.330
  407    HG3  LYS  56           HG1      LYS  56   5.442 -19.741 -14.232
  408    HD2  LYS  56           HD2      LYS  56   8.258 -20.272 -15.131
  409    HD3  LYS  56           HD1      LYS  56   7.623 -21.134 -13.732
  410    HE2  LYS  56           HE2      LYS  56   6.160 -20.995 -16.378
  411    HE3  LYS  56           HE1      LYS  56   7.274 -22.297 -15.962
  412    HZ1  LYS  56           HZ1      LYS  56   5.219 -21.634 -14.005
  413    HZ2  LYS  56           HZ2      LYS  56   5.868 -23.145 -14.431
  414    HZ3  LYS  56           HZ3      LYS  56   4.701 -22.408 -15.422
  415    H    LYS  57           HN       LYS  57   6.239 -16.900 -12.388
  416    HA   LYS  57           HA       LYS  57   3.556 -17.961 -11.793
  417    HB2  LYS  57           HB2      LYS  57   5.700 -18.993 -10.819
  418    HB3  LYS  57           HB1      LYS  57   5.780 -17.554  -9.801
  419    HG2  LYS  57           HG2      LYS  57   3.180 -18.231  -9.446
  420    HG3  LYS  57           HG1      LYS  57   3.876 -19.829  -9.714
  421    HD2  LYS  57           HD2      LYS  57   5.577 -19.355  -7.962
  422    HD3  LYS  57           HD1      LYS  57   4.803 -17.799  -7.660
  423    HE2  LYS  57           HE2      LYS  57   3.873 -19.242  -6.026
  424    HE3  LYS  57           HE1      LYS  57   2.640 -19.154  -7.284
  425    HZ1  LYS  57           HZ1      LYS  57   2.753 -21.363  -7.294
  426    HZ2  LYS  57           HZ2      LYS  57   4.204 -21.393  -6.410
  427    HZ3  LYS  57           HZ3      LYS  57   4.236 -21.190  -8.097
  428    H    GLY  58           HN       GLY  58   5.644 -15.185 -11.347
  429    HA2  GLY  58           HA2      GLY  58   3.848 -13.863  -9.495
  430    HA3  GLY  58           HA1      GLY  58   5.312 -13.186 -10.198
  431    H    HIS  59           HN       HIS  59   4.499 -13.866 -12.940
  432    HA   HIS  59           HA       HIS  59   3.239 -11.464 -13.662
  433    HB2  HIS  59           HB2      HIS  59   3.935 -12.142 -15.679
  434    HB3  HIS  59           HB1      HIS  59   4.358 -13.711 -14.995
  435    HD2  HIS  59           HD2      HIS  59   2.448 -15.766 -15.447
  436    HE1  HIS  59           HE1      HIS  59  -0.122 -13.456 -17.872
  437    HE2  HIS  59           HE2      HIS  59   0.376 -15.802 -17.036
  438    H    HIS  60           HN       HIS  60   1.935 -14.352 -12.406
  439    HA   HIS  60           HA       HIS  60  -0.649 -14.252 -13.616
  440    HB2  HIS  60           HB2      HIS  60  -1.248 -15.964 -12.114
  441    HB3  HIS  60           HB1      HIS  60   0.473 -16.226 -12.394
  442    HD2  HIS  60           HD2      HIS  60  -1.180 -16.884  -9.430
  443    HE1  HIS  60           HE1      HIS  60   1.482 -13.933  -8.004
  444    HE2  HIS  60           HE2      HIS  60  -0.077 -15.817  -7.317
  445    H    HIS  61           HN       HIS  61   0.878 -12.461 -11.119
  446    HA   HIS  61           HA       HIS  61  -1.688 -11.557 -10.008
  447    HB2  HIS  61           HB2      HIS  61   1.068 -11.727  -9.031
  448    HB3  HIS  61           HB1      HIS  61   0.297 -10.182  -8.674
  449    HD2  HIS  61           HD2      HIS  61  -1.609 -13.663  -8.627
  450    HE1  HIS  61           HE1      HIS  61  -1.743 -11.978  -4.759
  451    HE2  HIS  61           HE2      HIS  61  -2.556 -13.900  -6.205
  452    H    HIS  62           HN       HIS  62  -0.010 -10.825 -12.635
  453    HA   HIS  62           HA       HIS  62   0.033  -8.993 -14.024
  454    HB2  HIS  62           HB2      HIS  62  -2.259  -8.648 -12.505
  455    HB3  HIS  62           HB1      HIS  62  -1.397  -7.124 -12.295
  456    HD2  HIS  62           HD2      HIS  62  -1.843  -5.393 -14.393
  457    HE1  HIS  62           HE1      HIS  62  -2.893  -8.245 -17.325
  458    HE2  HIS  62           HE2      HIS  62  -2.630  -5.763 -16.856
  459    H    HIS  63           HN       HIS  63  -0.043  -7.550 -10.757
  460    HA   HIS  63           HA       HIS  63   2.379  -6.030 -11.438
  461    HB2  HIS  63           HB2      HIS  63   0.312  -5.743  -9.255
  462    HB3  HIS  63           HB1      HIS  63   1.812  -4.815  -9.277
  463    HD2  HIS  63           HD2      HIS  63   2.086  -3.250 -11.818
  464    HE1  HIS  63           HE1      HIS  63  -2.100  -3.025 -12.319
  465    HE2  HIS  63           HE2      HIS  63   0.127  -2.073 -13.081
  466    H    HIS  64           HN       HIS  64   2.786  -8.758 -11.017
  467    HA   HIS  64           HA       HIS  64   3.920 -10.288  -9.711
  468    HB2  HIS  64           HB2      HIS  64   5.465  -8.026 -10.145
  469    HB3  HIS  64           HB1      HIS  64   5.615  -8.302  -8.409
  470    HD2  HIS  64           HD2      HIS  64   7.318  -9.528 -11.520
  471    HE1  HIS  64           HE1      HIS  64   7.673 -12.727  -8.788
  472    HE2  HIS  64           HE2      HIS  64   8.503 -11.796 -10.999
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  25.629 -25.603 -21.538
    2    H2   MET   1           HT2      MET   1  26.927 -24.511 -21.622
    3    H3   MET   1           HT3      MET   1  25.370 -23.957 -21.224
    4    HA   MET   1           HA       MET   1  25.610 -25.671 -19.279
    5    HB2  MET   1           HB2      MET   1  28.442 -24.934 -20.067
    6    HB3  MET   1           HB1      MET   1  28.006 -25.582 -18.485
    7    HG2  MET   1           HG2      MET   1  27.342 -26.972 -21.092
    8    HG3  MET   1           HG1      MET   1  28.791 -27.319 -20.149
    9    HE1  MET   1           HE1      MET   1  25.264 -29.673 -19.924
   10    HE2  MET   1           HE2      MET   1  26.426 -29.147 -21.139
   11    HE3  MET   1           HE3      MET   1  25.086 -28.091 -20.696
   12    H    GLU   2           HN       GLU   2  26.738 -22.635 -20.575
   13    HA   GLU   2           HA       GLU   2  26.471 -21.342 -17.944
   14    HB2  GLU   2           HB2      GLU   2  28.504 -21.007 -19.521
   15    HB3  GLU   2           HB1      GLU   2  27.416 -19.973 -20.447
   16    HG2  GLU   2           HG2      GLU   2  28.279 -18.402 -18.992
   17    HG3  GLU   2           HG1      GLU   2  26.905 -18.961 -18.038
   18    H    GLU   3           HN       GLU   3  24.797 -20.047 -17.480
   19    HA   GLU   3           HA       GLU   3  23.369 -18.463 -19.312
   20    HB2  GLU   3           HB2      GLU   3  22.610 -21.220 -19.350
   21    HB3  GLU   3           HB1      GLU   3  21.293 -20.285 -18.642
   22    HG2  GLU   3           HG2      GLU   3  21.282 -18.773 -20.555
   23    HG3  GLU   3           HG1      GLU   3  22.679 -19.596 -21.249
   24    H    GLY   4           HN       GLY   4  21.591 -17.338 -18.324
   25    HA2  GLY   4           HA2      GLY   4  20.299 -16.565 -16.545
   26    HA3  GLY   4           HA1      GLY   4  20.960 -17.850 -15.540
   27    H    GLY   5           HN       GLY   5  20.959 -14.561 -16.087
   28    HA2  GLY   5           HA2      GLY   5  23.347 -14.221 -14.392
   29    HA3  GLY   5           HA1      GLY   5  23.180 -13.263 -15.860
   30    H    ASP   6           HN       ASP   6  22.092 -13.728 -12.597
   31    HA   ASP   6           HA       ASP   6  21.075 -11.029 -12.490
   32    HB2  ASP   6           HB2      ASP   6  18.817 -11.733 -11.663
   33    HB3  ASP   6           HB1      ASP   6  19.088 -12.073 -13.371
   34    H    PHE   7           HN       PHE   7  23.159 -11.777 -11.124
   35    HA   PHE   7           HA       PHE   7  22.264 -12.642  -8.450
   36    HB2  PHE   7           HB2      PHE   7  25.011 -12.462  -8.347
   37    HB3  PHE   7           HB1      PHE   7  24.097 -13.937  -8.658
   38    HD1  PHE   7           HD2      PHE   7  25.128 -10.871 -10.572
   39    HD2  PHE   7           HD1      PHE   7  24.771 -15.153 -10.530
   40    HE1  PHE   7           HE2      PHE   7  26.086 -10.974 -12.857
   41    HE2  PHE   7           HE1      PHE   7  25.728 -15.255 -12.814
   42    HZ   PHE   7           HZ       PHE   7  26.385 -13.166 -13.978
   43    H    ASP   8           HN       ASP   8  22.972 -11.475  -6.588
   44    HA   ASP   8           HA       ASP   8  23.072  -8.596  -7.054
   45    HB2  ASP   8           HB2      ASP   8  23.044 -10.007  -4.386
   46    HB3  ASP   8           HB1      ASP   8  22.540  -8.357  -4.750
   47    H    ASN   9           HN       ASN   9  25.151 -11.202  -6.081
   48    HA   ASN   9           HA       ASN   9  27.320 -11.245  -5.268
   49    HB2  ASN   9           HB2      ASN   9  27.690 -10.797  -7.623
   50    HB3  ASN   9           HB1      ASN   9  27.447  -9.070  -7.366
   51   HD21  ASN   9          HD21      ASN   9  29.418  -7.994  -7.340
   52   HD22  ASN   9          HD22      ASN   9  30.855  -8.607  -6.677
   53    H    TYR  10           HN       TYR  10  27.916  -7.942  -6.019
   54    HA   TYR  10           HA       TYR  10  29.030  -7.166  -3.666
   55    HB2  TYR  10           HB2      TYR  10  29.084  -5.672  -5.537
   56    HB3  TYR  10           HB1      TYR  10  27.326  -5.532  -5.553
   57    HD1  TYR  10           HD1      TYR  10  30.273  -4.981  -3.303
   58    HD2  TYR  10           HD2      TYR  10  26.299  -3.771  -4.398
   59    HE1  TYR  10           HE1      TYR  10  30.410  -3.087  -1.708
   60    HE2  TYR  10           HE2      TYR  10  26.436  -1.877  -2.803
   61    HH   TYR  10           HH       TYR  10  29.262  -1.458  -0.689
   62    H    TYR  11           HN       TYR  11  28.396  -6.722  -1.642
   63    HA   TYR  11           HA       TYR  11  27.044  -6.308   0.172
   64    HB2  TYR  11           HB2      TYR  11  25.849  -4.860  -1.813
   65    HB3  TYR  11           HB1      TYR  11  24.542  -5.948  -1.346
   66    HD1  TYR  11           HD1      TYR  11  23.850  -6.079   1.084
   67    HD2  TYR  11           HD2      TYR  11  26.542  -3.077  -0.396
   68    HE1  TYR  11           HE1      TYR  11  23.448  -4.717   3.116
   69    HE2  TYR  11           HE2      TYR  11  26.137  -1.714   1.636
   70    HH   TYR  11           HH       TYR  11  24.597  -1.443   3.391
   71    H    GLY  12           HN       GLY  12  27.474  -8.916  -0.836
   72    HA2  GLY  12           HA2      GLY  12  25.929 -10.524   0.700
   73    HA3  GLY  12           HA1      GLY  12  24.971 -10.370  -0.769
   74    H    ALA  13           HN       ALA  13  28.455 -10.265  -0.836
   75    HA   ALA  13           HA       ALA  13  28.530 -13.006  -1.946
   76    HB1  ALA  13           HB1      ALA  13  29.051 -12.107  -3.936
   77    HB2  ALA  13           HB2      ALA  13  30.575 -11.593  -3.212
   78    HB3  ALA  13           HB3      ALA  13  29.197 -10.493  -3.242
   79    H    ASP  14           HN       ASP  14  30.047 -10.494  -0.069
   80    HA   ASP  14           HA       ASP  14  32.418 -12.150   0.422
   81    HB2  ASP  14           HB2      ASP  14  31.694  -9.288   0.888
   82    HB3  ASP  14           HB1      ASP  14  32.918 -10.025   1.919
   83    H    ASN  15           HN       ASN  15  29.479 -11.044   1.943
   84    HA   ASN  15           HA       ASN  15  30.021 -11.451   4.633
   85    HB2  ASN  15           HB2      ASN  15  27.537 -11.765   2.974
   86    HB3  ASN  15           HB1      ASN  15  27.520 -12.181   4.687
   87   HD21  ASN  15          HD21      ASN  15  26.015 -10.296   4.978
   88   HD22  ASN  15          HD22      ASN  15  26.659  -8.727   5.048
   89    H    GLN  16           HN       GLN  16  29.328 -13.795   2.103
   90    HA   GLN  16           HA       GLN  16  29.395 -15.998   4.040
   91    HB2  GLN  16           HB2      GLN  16  28.752 -17.405   2.120
   92    HB3  GLN  16           HB1      GLN  16  27.640 -16.051   2.326
   93    HG2  GLN  16           HG2      GLN  16  28.997 -14.784   0.619
   94    HG3  GLN  16           HG1      GLN  16  29.901 -16.267   0.322
   95   HE21  GLN  16          HE21      GLN  16  27.005 -14.556  -0.465
   96   HE22  GLN  16          HE22      GLN  16  26.262 -15.795  -1.357
   97    H    SER  17           HN       SER  17  31.674 -14.204   2.753
   98    HA   SER  17           HA       SER  17  33.420 -16.421   1.897
   99    HB2  SER  17           HB2      SER  17  33.150 -14.401   0.407
  100    HB3  SER  17           HB1      SER  17  33.945 -13.453   1.661
  101    HG   SER  17           HG       SER  17  34.981 -15.246  -0.138
  102    H    GLU  18           HN       GLU  18  33.386 -13.543   3.999
  103    HA   GLU  18           HA       GLU  18  35.809 -13.657   5.222
  104    HB2  GLU  18           HB2      GLU  18  33.171 -13.276   6.659
  105    HB3  GLU  18           HB1      GLU  18  34.752 -12.746   7.234
  106    HG2  GLU  18           HG2      GLU  18  34.986 -11.321   5.217
  107    HG3  GLU  18           HG1      GLU  18  33.375 -11.814   4.700
  108    H    CYS  19           HN       CYS  19  33.246 -15.984   5.483
  109    HA   CYS  19           HA       CYS  19  34.248 -17.294   7.839
  110    HB2  CYS  19           HB2      CYS  19  31.849 -17.355   6.946
  111    HB3  CYS  19           HB1      CYS  19  32.437 -18.523   5.764
  112    HG   CYS  19           HG       CYS  19  32.806 -20.231   7.589
  113    H    GLU  20           HN       GLU  20  34.531 -17.784   4.348
  114    HA   GLU  20           HA       GLU  20  36.397 -20.018   4.828
  115    HB2  GLU  20           HB2      GLU  20  35.397 -19.255   2.109
  116    HB3  GLU  20           HB1      GLU  20  35.860 -20.841   2.726
  117    HG2  GLU  20           HG2      GLU  20  33.367 -19.275   3.444
  118    HG3  GLU  20           HG1      GLU  20  33.443 -20.773   2.516
  119    H    TYR  21           HN       TYR  21  36.495 -16.771   4.458
  120    HA   TYR  21           HA       TYR  21  38.447 -16.343   2.463
  121    HB2  TYR  21           HB2      TYR  21  37.130 -14.509   3.395
  122    HB3  TYR  21           HB1      TYR  21  37.864 -14.763   4.978
  123    HD1  TYR  21           HD1      TYR  21  40.343 -14.412   5.270
  124    HD2  TYR  21           HD2      TYR  21  38.260 -13.283   1.687
  125    HE1  TYR  21           HE1      TYR  21  42.242 -12.953   4.626
  126    HE2  TYR  21           HE2      TYR  21  40.160 -11.824   1.043
  127    HH   TYR  21           HH       TYR  21  42.136 -11.013   1.634
  128    H    THR  22           HN       THR  22  38.654 -17.395   5.787
  129    HA   THR  22           HA       THR  22  41.509 -16.993   5.988
  130    HB   THR  22           HB       THR  22  41.163 -18.418   8.100
  131    HG1  THR  22           HG1      THR  22  38.471 -17.782   7.858
  132   HG21  THR  22          HG21      THR  22  40.157 -16.522   9.291
  133   HG22  THR  22          HG22      THR  22  39.572 -15.859   7.765
  134   HG23  THR  22          HG23      THR  22  41.305 -15.946   8.083
  135    H    ASP  23           HN       ASP  23  39.499 -19.320   4.575
  136    HA   ASP  23           HA       ASP  23  41.586 -21.404   4.741
  137    HB2  ASP  23           HB2      ASP  23  38.640 -21.449   4.570
  138    HB3  ASP  23           HB1      ASP  23  39.469 -22.637   3.565
  139    H    TRP  24           HN       TRP  24  39.221 -20.111   2.395
  140    HA   TRP  24           HA       TRP  24  40.080 -21.176   0.060
  141    HB2  TRP  24           HB2      TRP  24  38.408 -19.744  -0.463
  142    HB3  TRP  24           HB1      TRP  24  38.856 -18.609   0.811
  143    HD1  TRP  24           HD1      TRP  24  39.569 -19.479  -2.828
  144    HE1  TRP  24           HE1      TRP  24  40.849 -17.525  -3.920
  145    HE3  TRP  24           HE3      TRP  24  40.466 -16.600   1.294
  146    HZ2  TRP  24           HZ2      TRP  24  42.088 -15.065  -3.146
  147    HZ3  TRP  24           HZ3      TRP  24  41.696 -14.460   1.088
  148    HH2  TRP  24           HH2      TRP  24  42.508 -13.688  -1.124
  149    H    LYS  25           HN       LYS  25  41.688 -18.623   1.880
  150    HA   LYS  25           HA       LYS  25  43.537 -17.717   0.030
  151    HB2  LYS  25           HB2      LYS  25  43.136 -17.017   2.503
  152    HB3  LYS  25           HB1      LYS  25  44.346 -18.245   2.875
  153    HG2  LYS  25           HG2      LYS  25  45.869 -17.134   1.198
  154    HG3  LYS  25           HG1      LYS  25  44.687 -15.831   1.076
  155    HD2  LYS  25           HD2      LYS  25  44.869 -15.665   3.641
  156    HD3  LYS  25           HD1      LYS  25  46.322 -16.653   3.478
  157    HE2  LYS  25           HE2      LYS  25  46.772 -14.780   1.552
  158    HE3  LYS  25           HE1      LYS  25  45.868 -13.826   2.728
  159    HZ1  LYS  25           HZ1      LYS  25  47.942 -13.613   3.584
  160    HZ2  LYS  25           HZ2      LYS  25  48.482 -15.106   2.981
  161    HZ3  LYS  25           HZ3      LYS  25  47.501 -15.052   4.367
  162    H    SER  26           HN       SER  26  43.645 -20.625   2.043
  163    HA   SER  26           HA       SER  26  46.108 -21.468   0.647
  164    HB2  SER  26           HB2      SER  26  45.028 -21.913   3.372
  165    HB3  SER  26           HB1      SER  26  45.856 -23.277   2.627
  166    HG   SER  26           HG       SER  26  47.134 -21.616   3.849
  167    H    SER  27           HN       SER  27  42.752 -22.078   0.968
  168    HA   SER  27           HA       SER  27  43.018 -24.759  -0.230
  169    HB2  SER  27           HB2      SER  27  40.463 -23.519   0.775
  170    HB3  SER  27           HB1      SER  27  40.833 -25.224   0.531
  171    HG   SER  27           HG       SER  27  42.631 -24.116   2.187
  172    H    GLY  28           HN       GLY  28  43.026 -21.799  -1.376
  173    HA2  GLY  28           HA2      GLY  28  40.843 -21.925  -3.282
  174    HA3  GLY  28           HA1      GLY  28  42.080 -20.676  -3.187
  175    H    ALA  29           HN       ALA  29  43.759 -23.468  -3.068
  176    HA   ALA  29           HA       ALA  29  44.285 -23.399  -5.965
  177    HB1  ALA  29           HB1      ALA  29  46.078 -23.157  -4.023
  178    HB2  ALA  29           HB2      ALA  29  46.457 -24.024  -5.511
  179    HB3  ALA  29           HB3      ALA  29  46.009 -24.919  -4.059
  180    H    LEU  30           HN       LEU  30  41.969 -24.750  -4.877
  181    HA   LEU  30           HA       LEU  30  42.105 -27.184  -6.291
  182    HB2  LEU  30           HB2      LEU  30  41.852 -28.739  -4.319
  183    HB3  LEU  30           HB1      LEU  30  43.467 -28.059  -4.521
  184    HG   LEU  30           HG       LEU  30  41.891 -26.268  -2.915
  185   HD11  LEU  30          HD11      LEU  30  41.963 -29.161  -2.010
  186   HD12  LEU  30          HD12      LEU  30  40.524 -28.184  -2.307
  187   HD13  LEU  30          HD13      LEU  30  41.588 -27.799  -0.953
  188   HD21  LEU  30          HD21      LEU  30  43.728 -26.725  -1.294
  189   HD22  LEU  30          HD22      LEU  30  44.341 -26.397  -2.915
  190   HD23  LEU  30          HD23      LEU  30  44.272 -28.055  -2.317
  191    H    ILE  31           HN       ILE  31  40.558 -25.139  -3.922
  192    HA   ILE  31           HA       ILE  31  38.059 -26.528  -3.911
  193    HB   ILE  31           HB       ILE  31  38.844 -23.755  -3.013
  194   HG12  ILE  31          HG12      ILE  31  39.498 -26.066  -1.861
  195   HG13  ILE  31          HG11      ILE  31  39.021 -24.671  -0.898
  196   HG21  ILE  31          HG21      ILE  31  36.554 -23.903  -1.838
  197   HG22  ILE  31          HG22      ILE  31  36.171 -25.151  -3.025
  198   HG23  ILE  31          HG23      ILE  31  36.560 -23.516  -3.557
  199   HD11  ILE  31          HD11      ILE  31  37.887 -26.927  -0.360
  200   HD12  ILE  31          HD12      ILE  31  36.982 -26.684  -1.852
  201   HD13  ILE  31          HD13      ILE  31  36.842 -25.519  -0.535
  202    HA   PRO  32           HA       PRO  32  36.956 -22.919  -7.045
  203    HB2  PRO  32           HB2      PRO  32  39.338 -23.156  -8.795
  204    HB3  PRO  32           HB1      PRO  32  38.472 -21.705  -8.257
  205    HG2  PRO  32           HG2      PRO  32  40.879 -22.351  -7.297
  206    HG3  PRO  32           HG1      PRO  32  39.644 -21.565  -6.296
  207    HD2  PRO  32           HD2      PRO  32  40.517 -24.429  -6.314
  208    HD3  PRO  32           HD1      PRO  32  40.014 -23.412  -4.949
  209    H    ALA  33           HN       ALA  33  38.550 -25.950  -7.509
  210    HA   ALA  33           HA       ALA  33  37.672 -26.568 -10.125
  211    HB1  ALA  33           HB1      ALA  33  37.910 -29.001  -9.147
  212    HB2  ALA  33           HB2      ALA  33  38.643 -28.158  -7.782
  213    HB3  ALA  33           HB3      ALA  33  39.340 -27.999  -9.394
  214    H    ILE  34           HN       ILE  34  36.451 -27.960  -7.072
  215    HA   ILE  34           HA       ILE  34  34.079 -28.987  -8.173
  216    HB   ILE  34           HB       ILE  34  34.957 -28.303  -5.383
  217   HG12  ILE  34          HG12      ILE  34  34.835 -30.715  -5.109
  218   HG13  ILE  34          HG11      ILE  34  34.061 -30.894  -6.684
  219   HG21  ILE  34          HG21      ILE  34  32.668 -27.808  -5.157
  220   HG22  ILE  34          HG22      ILE  34  32.742 -29.523  -4.751
  221   HG23  ILE  34          HG23      ILE  34  32.194 -29.019  -6.349
  222   HD11  ILE  34          HD11      ILE  34  36.038 -30.229  -7.843
  223   HD12  ILE  34          HD12      ILE  34  36.573 -31.371  -6.610
  224   HD13  ILE  34          HD13      ILE  34  36.793 -29.640  -6.362
  225    H    TYR  35           HN       TYR  35  34.792 -25.880  -6.639
  226    HA   TYR  35           HA       TYR  35  32.252 -24.817  -6.382
  227    HB2  TYR  35           HB2      TYR  35  34.911 -23.836  -6.339
  228    HB3  TYR  35           HB1      TYR  35  33.995 -22.791  -7.425
  229    HD1  TYR  35           HD1      TYR  35  33.814 -24.405  -4.051
  230    HD2  TYR  35           HD2      TYR  35  32.575 -21.139  -6.551
  231    HE1  TYR  35           HE1      TYR  35  32.731 -23.320  -2.100
  232    HE2  TYR  35           HE2      TYR  35  31.492 -20.055  -4.600
  233    HH   TYR  35           HH       TYR  35  31.755 -21.453  -1.344
  234    H    MET  36           HN       MET  36  34.376 -24.692  -9.241
  235    HA   MET  36           HA       MET  36  32.598 -23.312 -10.926
  236    HB2  MET  36           HB2      MET  36  34.992 -25.047 -11.332
  237    HB3  MET  36           HB1      MET  36  33.985 -24.672 -12.730
  238    HG2  MET  36           HG2      MET  36  35.016 -22.545 -10.842
  239    HG3  MET  36           HG1      MET  36  35.889 -23.040 -12.291
  240    HE1  MET  36           HE1      MET  36  34.537 -20.121 -11.351
  241    HE2  MET  36           HE2      MET  36  33.193 -21.048 -10.689
  242    HE3  MET  36           HE3      MET  36  32.897 -19.867 -11.962
  243    H    LEU  37           HN       LEU  37  33.332 -26.803 -10.855
  244    HA   LEU  37           HA       LEU  37  31.334 -27.609 -12.639
  245    HB2  LEU  37           HB2      LEU  37  33.314 -28.943 -11.600
  246    HB3  LEU  37           HB1      LEU  37  32.164 -29.328 -10.319
  247    HG   LEU  37           HG       LEU  37  30.614 -29.836 -12.472
  248   HD11  LEU  37          HD11      LEU  37  31.967 -30.982 -14.176
  249   HD12  LEU  37          HD12      LEU  37  33.443 -30.550 -13.310
  250   HD13  LEU  37          HD13      LEU  37  32.451 -29.290 -14.046
  251   HD21  LEU  37          HD21      LEU  37  30.827 -31.483 -10.796
  252   HD22  LEU  37          HD22      LEU  37  32.579 -31.570 -10.976
  253   HD23  LEU  37          HD23      LEU  37  31.529 -32.260 -12.214
  254    H    VAL  38           HN       VAL  38  30.989 -26.254  -9.585
  255    HA   VAL  38           HA       VAL  38  28.285 -27.419  -9.260
  256    HB   VAL  38           HB       VAL  38  30.258 -26.392  -7.221
  257   HG11  VAL  38          HG11      VAL  38  28.240 -25.443  -6.457
  258   HG12  VAL  38          HG12      VAL  38  28.300 -26.995  -5.621
  259   HG13  VAL  38          HG13      VAL  38  27.277 -26.798  -7.043
  260   HG21  VAL  38          HG21      VAL  38  29.880 -28.635  -6.247
  261   HG22  VAL  38          HG22      VAL  38  30.456 -28.755  -7.909
  262   HG23  VAL  38          HG23      VAL  38  28.748 -29.005  -7.548
  263    H    PHE  39           HN       PHE  39  30.048 -24.628 -10.008
  264    HA   PHE  39           HA       PHE  39  27.937 -22.803  -9.107
  265    HB2  PHE  39           HB2      PHE  39  30.275 -22.130  -8.743
  266    HB3  PHE  39           HB1      PHE  39  30.574 -22.232 -10.478
  267    HD1  PHE  39           HD2      PHE  39  28.338 -20.571  -7.977
  268    HD2  PHE  39           HD1      PHE  39  30.178 -20.371 -11.853
  269    HE1  PHE  39           HE2      PHE  39  27.488 -18.259  -8.261
  270    HE2  PHE  39           HE1      PHE  39  29.328 -18.059 -12.137
  271    HZ   PHE  39           HZ       PHE  39  27.982 -17.003 -10.341
  272    H    LEU  40           HN       LEU  40  29.650 -23.639 -12.128
  273    HA   LEU  40           HA       LEU  40  27.816 -22.175 -13.774
  274    HB2  LEU  40           HB2      LEU  40  29.000 -23.178 -15.647
  275    HB3  LEU  40           HB1      LEU  40  30.167 -22.645 -14.437
  276    HG   LEU  40           HG       LEU  40  29.578 -25.222 -13.622
  277   HD11  LEU  40          HD11      LEU  40  29.783 -26.614 -15.637
  278   HD12  LEU  40          HD12      LEU  40  29.794 -25.170 -16.648
  279   HD13  LEU  40          HD13      LEU  40  28.344 -25.600 -15.741
  280   HD21  LEU  40          HD21      LEU  40  31.792 -24.273 -15.471
  281   HD22  LEU  40          HD22      LEU  40  31.837 -25.741 -14.495
  282   HD23  LEU  40          HD23      LEU  40  31.805 -24.162 -13.710
  283    H    LEU  41           HN       LEU  41  27.634 -25.148 -12.189
  284    HA   LEU  41           HA       LEU  41  25.888 -26.426 -14.136
  285    HB2  LEU  41           HB2      LEU  41  27.408 -27.254 -11.835
  286    HB3  LEU  41           HB1      LEU  41  25.728 -27.755 -11.648
  287    HG   LEU  41           HG       LEU  41  27.374 -28.244 -14.145
  288   HD11  LEU  41          HD11      LEU  41  28.329 -29.940 -13.011
  289   HD12  LEU  41          HD12      LEU  41  26.730 -30.672 -12.877
  290   HD13  LEU  41          HD13      LEU  41  27.328 -29.619 -11.595
  291   HD21  LEU  41          HD21      LEU  41  24.590 -28.317 -13.629
  292   HD22  LEU  41          HD22      LEU  41  25.124 -29.997 -13.705
  293   HD23  LEU  41          HD23      LEU  41  25.426 -28.913 -15.063
  294    H    GLY  42           HN       GLY  42  25.667 -24.889 -10.954
  295    HA2  GLY  42           HA2      GLY  42  22.780 -25.219 -10.850
  296    HA3  GLY  42           HA1      GLY  42  23.788 -24.421  -9.647
  297    H    THR  43           HN       THR  43  25.015 -22.421 -10.850
  298    HA   THR  43           HA       THR  43  23.226 -20.355 -11.063
  299    HB   THR  43           HB       THR  43  25.853 -20.637 -12.530
  300    HG1  THR  43           HG1      THR  43  26.438 -20.668 -10.497
  301   HG21  THR  43          HG21      THR  43  24.768 -18.793 -13.522
  302   HG22  THR  43          HG22      THR  43  25.749 -18.067 -12.249
  303   HG23  THR  43          HG23      THR  43  24.019 -18.306 -12.001
  304    H    THR  44           HN       THR  44  23.668 -22.886 -13.280
  305    HA   THR  44           HA       THR  44  22.356 -21.371 -15.450
  306    HB   THR  44           HB       THR  44  24.174 -23.756 -15.400
  307    HG1  THR  44           HG1      THR  44  25.319 -22.104 -16.024
  308   HG21  THR  44          HG21      THR  44  23.532 -23.921 -17.908
  309   HG22  THR  44          HG22      THR  44  22.043 -23.110 -17.425
  310   HG23  THR  44          HG23      THR  44  22.464 -24.673 -16.724
  311    H    GLY  45           HN       GLY  45  22.081 -24.064 -13.263
  312    HA2  GLY  45           HA2      GLY  45  19.487 -24.814 -14.478
  313    HA3  GLY  45           HA1      GLY  45  20.503 -25.905 -13.542
  314    H    ASN  46           HN       ASN  46  20.330 -22.695 -12.373
  315    HA   ASN  46           HA       ASN  46  18.161 -23.347 -10.495
  316    HB2  ASN  46           HB2      ASN  46  19.504 -23.476  -8.707
  317    HB3  ASN  46           HB1      ASN  46  20.886 -23.458  -9.800
  318   HD21  ASN  46          HD21      ASN  46  21.895 -21.332 -10.253
  319   HD22  ASN  46          HD22      ASN  46  21.669 -20.037  -9.180
  320    H    GLY  47           HN       GLY  47  20.462 -20.892 -11.642
  321    HA2  GLY  47           HA2      GLY  47  18.986 -18.658 -10.660
  322    HA3  GLY  47           HA1      GLY  47  20.269 -18.604 -11.866
  323    H    LEU  48           HN       LEU  48  19.245 -20.184 -13.867
  324    HA   LEU  48           HA       LEU  48  17.582 -18.429 -15.273
  325    HB2  LEU  48           HB2      LEU  48  18.925 -20.054 -16.454
  326    HB3  LEU  48           HB1      LEU  48  18.098 -21.389 -15.655
  327    HG   LEU  48           HG       LEU  48  16.022 -20.871 -16.801
  328   HD11  LEU  48          HD11      LEU  48  15.914 -18.524 -16.922
  329   HD12  LEU  48          HD12      LEU  48  16.190 -18.989 -18.601
  330   HD13  LEU  48          HD13      LEU  48  17.529 -18.393 -17.619
  331   HD21  LEU  48          HD21      LEU  48  17.631 -20.527 -19.187
  332   HD22  LEU  48          HD22      LEU  48  16.750 -21.953 -18.638
  333   HD23  LEU  48          HD23      LEU  48  18.399 -21.666 -18.082
  334    H    VAL  49           HN       VAL  49  16.769 -21.464 -13.593
  335    HA   VAL  49           HA       VAL  49  14.007 -21.415 -14.136
  336    HB   VAL  49           HB       VAL  49  15.703 -22.725 -12.033
  337   HG11  VAL  49          HG11      VAL  49  13.464 -23.934 -11.464
  338   HG12  VAL  49          HG12      VAL  49  12.702 -22.491 -12.135
  339   HG13  VAL  49          HG13      VAL  49  13.772 -22.356 -10.741
  340   HG21  VAL  49          HG21      VAL  49  15.516 -23.559 -14.425
  341   HG22  VAL  49          HG22      VAL  49  13.810 -23.871 -14.104
  342   HG23  VAL  49          HG23      VAL  49  15.051 -24.733 -13.193
  343    H    LEU  50           HN       LEU  50  15.588 -20.672 -11.020
  344    HA   LEU  50           HA       LEU  50  13.446 -19.571  -9.697
  345    HB2  LEU  50           HB2      LEU  50  16.394 -19.062  -9.579
  346    HB3  LEU  50           HB1      LEU  50  15.307 -18.036  -8.642
  347    HG   LEU  50           HG       LEU  50  14.944 -21.010  -8.519
  348   HD11  LEU  50          HD11      LEU  50  16.524 -20.686  -6.394
  349   HD12  LEU  50          HD12      LEU  50  17.234 -19.436  -7.415
  350   HD13  LEU  50          HD13      LEU  50  17.188 -21.108  -7.973
  351   HD21  LEU  50          HD21      LEU  50  13.819 -20.525  -6.553
  352   HD22  LEU  50          HD22      LEU  50  13.557 -19.011  -7.420
  353   HD23  LEU  50          HD23      LEU  50  14.826 -19.122  -6.201
  354    H    TRP  51           HN       TRP  51  15.380 -18.157 -12.240
  355    HA   TRP  51           HA       TRP  51  14.409 -15.472 -11.875
  356    HB2  TRP  51           HB2      TRP  51  16.550 -15.792 -12.944
  357    HB3  TRP  51           HB1      TRP  51  15.832 -16.827 -14.178
  358    HD1  TRP  51           HD1      TRP  51  16.146 -13.191 -13.113
  359    HE1  TRP  51           HE1      TRP  51  15.318 -11.682 -15.033
  360    HE3  TRP  51           HE3      TRP  51  14.209 -16.728 -16.244
  361    HZ2  TRP  51           HZ2      TRP  51  14.007 -11.940 -17.561
  362    HZ3  TRP  51           HZ3      TRP  51  13.178 -16.070 -18.401
  363    HH2  TRP  51           HH2      TRP  51  13.075 -13.683 -19.061
  364    H    THR  52           HN       THR  52  13.738 -18.079 -14.214
  365    HA   THR  52           HA       THR  52  11.739 -16.708 -15.657
  366    HB   THR  52           HB       THR  52  12.439 -19.601 -15.275
  367    HG1  THR  52           HG1      THR  52  12.117 -18.505 -17.759
  368   HG21  THR  52          HG21      THR  52  10.635 -19.956 -17.112
  369   HG22  THR  52          HG22      THR  52   9.945 -18.451 -16.505
  370   HG23  THR  52          HG23      THR  52  10.108 -19.842 -15.433
  371    H    VAL  53           HN       VAL  53  11.462 -19.086 -13.012
  372    HA   VAL  53           HA       VAL  53   8.708 -19.147 -12.739
  373    HB   VAL  53           HB       VAL  53  10.856 -19.296 -10.613
  374   HG11  VAL  53          HG11      VAL  53   8.939 -18.837  -9.349
  375   HG12  VAL  53          HG12      VAL  53   8.900 -20.597  -9.444
  376   HG13  VAL  53          HG13      VAL  53   7.869 -19.634 -10.502
  377   HG21  VAL  53          HG21      VAL  53  10.587 -20.996 -12.609
  378   HG22  VAL  53          HG22      VAL  53   9.208 -21.575 -11.672
  379   HG23  VAL  53          HG23      VAL  53  10.826 -21.604 -10.971
  380    H    PHE  54           HN       PHE  54  10.939 -17.064 -10.877
  381    HA   PHE  54           HA       PHE  54   9.173 -15.532  -9.472
  382    HB2  PHE  54           HB2      PHE  54  11.872 -15.141 -10.539
  383    HB3  PHE  54           HB1      PHE  54  10.980 -13.632 -10.339
  384    HD1  PHE  54           HD2      PHE  54  11.668 -16.843  -8.524
  385    HD2  PHE  54           HD1      PHE  54  10.927 -12.622  -8.230
  386    HE1  PHE  54           HE2      PHE  54  12.041 -16.948  -6.075
  387    HE2  PHE  54           HE1      PHE  54  11.300 -12.727  -5.782
  388    HZ   PHE  54           HZ       PHE  54  11.856 -14.890  -4.703
  389    H    ARG  55           HN       ARG  55  10.211 -14.954 -12.827
  390    HA   ARG  55           HA       ARG  55   8.428 -12.729 -13.192
  391    HB2  ARG  55           HB2      ARG  55  10.400 -14.219 -14.811
  392    HB3  ARG  55           HB1      ARG  55   9.069 -13.497 -15.717
  393    HG2  ARG  55           HG2      ARG  55   9.594 -11.315 -14.985
  394    HG3  ARG  55           HG1      ARG  55  10.582 -11.907 -13.648
  395    HD2  ARG  55           HD2      ARG  55  11.608 -11.045 -16.021
  396    HD3  ARG  55           HD1      ARG  55  12.418 -12.194 -14.960
  397    HE   ARG  55           HE       ARG  55  11.935 -13.884 -16.493
  398   HH11  ARG  55          HH21      ARG  55  10.161 -10.991 -17.178
  399   HH12  ARG  55          HH22      ARG  55   9.586 -11.543 -18.716
  400   HH21  ARG  55          HH11      ARG  55  11.185 -14.613 -18.510
  401   HH22  ARG  55          HH12      ARG  55  10.166 -13.593 -19.471
  402    H    LYS  56           HN       LYS  56   8.268 -16.181 -13.645
  403    HA   LYS  56           HA       LYS  56   6.109 -16.320 -15.448
  404    HB2  LYS  56           HB2      LYS  56   7.671 -18.198 -14.619
  405    HB3  LYS  56           HB1      LYS  56   6.570 -18.320 -13.245
  406    HG2  LYS  56           HG2      LYS  56   5.418 -19.744 -14.594
  407    HG3  LYS  56           HG1      LYS  56   4.800 -18.261 -15.323
  408    HD2  LYS  56           HD2      LYS  56   6.645 -18.313 -16.975
  409    HD3  LYS  56           HD1      LYS  56   7.230 -19.817 -16.261
  410    HE2  LYS  56           HE2      LYS  56   4.395 -19.995 -16.854
  411    HE3  LYS  56           HE1      LYS  56   5.312 -19.564 -18.297
  412    HZ1  LYS  56           HZ1      LYS  56   6.262 -21.565 -18.375
  413    HZ2  LYS  56           HZ2      LYS  56   5.037 -22.065 -17.310
  414    HZ3  LYS  56           HZ3      LYS  56   6.559 -21.608 -16.706
  415    H    LYS  57           HN       LYS  57   6.077 -16.724 -11.898
  416    HA   LYS  57           HA       LYS  57   3.198 -16.408 -11.822
  417    HB2  LYS  57           HB2      LYS  57   5.338 -16.957  -9.790
  418    HB3  LYS  57           HB1      LYS  57   3.730 -16.457  -9.265
  419    HG2  LYS  57           HG2      LYS  57   2.731 -18.396 -10.005
  420    HG3  LYS  57           HG1      LYS  57   3.891 -18.618 -11.316
  421    HD2  LYS  57           HD2      LYS  57   5.569 -19.437  -9.821
  422    HD3  LYS  57           HD1      LYS  57   4.648 -18.930  -8.404
  423    HE2  LYS  57           HE2      LYS  57   3.181 -20.743 -10.206
  424    HE3  LYS  57           HE1      LYS  57   4.606 -21.466  -9.458
  425    HZ1  LYS  57           HZ1      LYS  57   3.771 -21.154  -7.354
  426    HZ2  LYS  57           HZ2      LYS  57   2.354 -21.508  -8.220
  427    HZ3  LYS  57           HZ3      LYS  57   2.729 -19.900  -7.821
  428    H    GLY  58           HN       GLY  58   5.902 -14.349 -11.754
  429    HA2  GLY  58           HA2      GLY  58   4.738 -12.284 -10.096
  430    HA3  GLY  58           HA1      GLY  58   6.221 -12.161 -11.038
  431    H    HIS  59           HN       HIS  59   4.888 -13.081 -13.502
  432    HA   HIS  59           HA       HIS  59   4.176 -10.583 -14.583
  433    HB2  HIS  59           HB2      HIS  59   4.395 -13.325 -15.509
  434    HB3  HIS  59           HB1      HIS  59   3.010 -12.510 -16.235
  435    HD2  HIS  59           HD2      HIS  59   6.640 -12.849 -17.029
  436    HE1  HIS  59           HE1      HIS  59   5.640  -8.993 -18.426
  437    HE2  HIS  59           HE2      HIS  59   7.396 -10.825 -18.496
  438    H    HIS  60           HN       HIS  60   2.443 -12.548 -12.515
  439    HA   HIS  60           HA       HIS  60  -0.042 -11.123 -13.161
  440    HB2  HIS  60           HB2      HIS  60   0.225 -13.653 -14.059
  441    HB3  HIS  60           HB1      HIS  60  -0.370 -13.978 -12.431
  442    HD2  HIS  60           HD2      HIS  60  -1.568 -11.144 -14.977
  443    HE1  HIS  60           HE1      HIS  60  -4.919 -13.338 -13.641
  444    HE2  HIS  60           HE2      HIS  60  -4.166 -11.381 -15.074
  445    H    HIS  61           HN       HIS  61   1.833 -10.676 -11.074
  446    HA   HIS  61           HA       HIS  61   1.043 -11.944  -8.648
  447    HB2  HIS  61           HB2      HIS  61   3.008 -10.077  -9.461
  448    HB3  HIS  61           HB1      HIS  61   2.071  -9.302  -8.183
  449    HD2  HIS  61           HD2      HIS  61   5.170 -11.140  -8.087
  450    HE1  HIS  61           HE1      HIS  61   3.021 -12.955  -4.939
  451    HE2  HIS  61           HE2      HIS  61   5.324 -12.656  -5.966
  452    H    HIS  62           HN       HIS  62   0.421 -10.202  -6.787
  453    HA   HIS  62           HA       HIS  62  -2.294  -9.440  -7.441
  454    HB2  HIS  62           HB2      HIS  62  -1.632  -8.487  -4.872
  455    HB3  HIS  62           HB1      HIS  62  -2.536  -9.949  -5.272
  456    HD2  HIS  62           HD2      HIS  62  -1.016 -12.360  -5.159
  457    HE1  HIS  62           HE1      HIS  62   2.479 -10.583  -3.592
  458    HE2  HIS  62           HE2      HIS  62   1.335 -12.791  -4.108
  459    H    HIS  63           HN       HIS  63   0.138  -7.589  -5.620
  460    HA   HIS  63           HA       HIS  63  -0.875  -5.132  -6.859
  461    HB2  HIS  63           HB2      HIS  63  -0.358  -5.591  -4.291
  462    HB3  HIS  63           HB1      HIS  63   1.264  -5.105  -4.780
  463    HD2  HIS  63           HD2      HIS  63  -0.839  -3.096  -2.979
  464    HE1  HIS  63           HE1      HIS  63  -0.699  -0.751  -6.487
  465    HE2  HIS  63           HE2      HIS  63  -1.286  -0.741  -4.017
  466    H    HIS  64           HN       HIS  64   0.584  -6.804  -8.572
  467    HA   HIS  64           HA       HIS  64   2.442  -6.885  -9.941
  468    HB2  HIS  64           HB2      HIS  64   2.624  -3.909  -9.598
  469    HB3  HIS  64           HB1      HIS  64   2.825  -4.876 -11.059
  470    HD2  HIS  64           HD2      HIS  64  -0.117  -6.532 -10.689
  471    HE1  HIS  64           HE1      HIS  64  -1.750  -2.657 -11.071
  472    HE2  HIS  64           HE2      HIS  64  -2.270  -5.140 -11.186
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  35.865  -4.883   5.535
    2    H2   MET   1           HT2      MET   1  36.786  -3.466   5.360
    3    H3   MET   1           HT3      MET   1  35.148  -3.480   4.906
    4    HA   MET   1           HA       MET   1  34.497  -2.936   6.935
    5    HB2  MET   1           HB2      MET   1  36.324  -5.175   7.858
    6    HB3  MET   1           HB1      MET   1  35.141  -4.351   8.875
    7    HG2  MET   1           HG2      MET   1  33.401  -5.494   7.975
    8    HG3  MET   1           HG1      MET   1  34.030  -5.331   6.335
    9    HE1  MET   1           HE1      MET   1  32.765  -7.812   6.380
   10    HE2  MET   1           HE2      MET   1  33.993  -9.006   5.968
   11    HE3  MET   1           HE3      MET   1  34.006  -7.433   5.178
   12    H    GLU   2           HN       GLU   2  35.373  -0.890   6.971
   13    HA   GLU   2           HA       GLU   2  38.112  -0.310   7.437
   14    HB2  GLU   2           HB2      GLU   2  37.287   2.004   7.884
   15    HB3  GLU   2           HB1      GLU   2  36.675   1.329   6.374
   16    HG2  GLU   2           HG2      GLU   2  34.914   0.605   8.537
   17    HG3  GLU   2           HG1      GLU   2  35.161   2.350   8.536
   18    H    GLU   3           HN       GLU   3  39.100   0.580   9.311
   19    HA   GLU   3           HA       GLU   3  39.641   0.555  11.544
   20    HB2  GLU   3           HB2      GLU   3  36.656   0.825  11.957
   21    HB3  GLU   3           HB1      GLU   3  37.933   1.304  13.076
   22    HG2  GLU   3           HG2      GLU   3  38.784   2.868  11.270
   23    HG3  GLU   3           HG1      GLU   3  37.306   2.515  10.375
   24    H    GLY   4           HN       GLY   4  40.314  -1.657  11.443
   25    HA2  GLY   4           HA2      GLY   4  38.569  -3.431  13.024
   26    HA3  GLY   4           HA1      GLY   4  39.279  -4.026  11.525
   27    H    GLY   5           HN       GLY   5  41.809  -3.064  11.573
   28    HA2  GLY   5           HA2      GLY   5  43.495  -2.888  13.576
   29    HA3  GLY   5           HA1      GLY   5  42.980  -4.555  13.815
   30    H    ASP   6           HN       ASP   6  45.008  -5.437  13.375
   31    HA   ASP   6           HA       ASP   6  46.661  -6.346  12.066
   32    HB2  ASP   6           HB2      ASP   6  45.067  -5.639   9.622
   33    HB3  ASP   6           HB1      ASP   6  46.069  -7.059   9.923
   34    H    PHE   7           HN       PHE   7  47.278  -3.876  12.867
   35    HA   PHE   7           HA       PHE   7  47.894  -2.130  10.646
   36    HB2  PHE   7           HB2      PHE   7  47.508  -1.712  13.317
   37    HB3  PHE   7           HB1      PHE   7  49.266  -1.668  13.218
   38    HD1  PHE   7           HD2      PHE   7  49.735  -0.560  10.535
   39    HD2  PHE   7           HD1      PHE   7  46.811   0.523  13.490
   40    HE1  PHE   7           HE2      PHE   7  49.619   1.726   9.582
   41    HE2  PHE   7           HE1      PHE   7  46.694   2.809  12.536
   42    HZ   PHE   7           HZ       PHE   7  48.099   3.411  10.582
   43    H    ASP   8           HN       ASP   8  48.979  -4.704  10.302
   44    HA   ASP   8           HA       ASP   8  51.806  -4.007  10.063
   45    HB2  ASP   8           HB2      ASP   8  50.760  -6.332  11.664
   46    HB3  ASP   8           HB1      ASP   8  52.358  -6.378  10.922
   47    H    ASN   9           HN       ASN   9  49.406  -4.499   8.322
   48    HA   ASN   9           HA       ASN   9  49.472  -6.920   6.980
   49    HB2  ASN   9           HB2      ASN   9  49.054  -4.167   5.790
   50    HB3  ASN   9           HB1      ASN   9  48.595  -5.691   5.033
   51   HD21  ASN   9          HD21      ASN   9  47.654  -6.992   7.483
   52   HD22  ASN   9          HD22      ASN   9  46.222  -6.203   7.940
   53    H    TYR  10           HN       TYR  10  51.181  -3.961   5.933
   54    HA   TYR  10           HA       TYR  10  52.811  -5.374   4.070
   55    HB2  TYR  10           HB2      TYR  10  52.125  -2.752   4.417
   56    HB3  TYR  10           HB1      TYR  10  53.787  -2.756   5.001
   57    HD1  TYR  10           HD2      TYR  10  55.063  -4.820   3.356
   58    HD2  TYR  10           HD1      TYR  10  52.180  -1.829   2.260
   59    HE1  TYR  10           HE2      TYR  10  55.880  -4.890   1.016
   60    HE2  TYR  10           HE1      TYR  10  52.998  -1.900  -0.081
   61    HH   TYR  10           HH       TYR  10  55.905  -3.393  -0.966
   62    H    TYR  11           HN       TYR  11  52.980  -6.552   6.637
   63    HA   TYR  11           HA       TYR  11  55.817  -6.745   6.911
   64    HB2  TYR  11           HB2      TYR  11  55.310  -4.591   8.138
   65    HB3  TYR  11           HB1      TYR  11  54.374  -5.551   9.284
   66    HD1  TYR  11           HD2      TYR  11  57.762  -5.284   7.723
   67    HD2  TYR  11           HD1      TYR  11  55.441  -6.667  11.062
   68    HE1  TYR  11           HE2      TYR  11  59.848  -5.890   8.921
   69    HE2  TYR  11           HE1      TYR  11  57.526  -7.272  12.260
   70    HH   TYR  11           HH       TYR  11  59.863  -6.743  12.262
   71    H    GLY  12           HN       GLY  12  53.736  -8.557   6.402
   72    HA2  GLY  12           HA2      GLY  12  54.261 -10.819   7.658
   73    HA3  GLY  12           HA1      GLY  12  53.284 -10.029   8.892
   74    H    ALA  13           HN       ALA  13  52.694  -9.491   5.505
   75    HA   ALA  13           HA       ALA  13  50.155 -10.989   5.738
   76    HB1  ALA  13           HB1      ALA  13  49.752  -8.635   5.400
   77    HB2  ALA  13           HB2      ALA  13  49.376  -9.475   3.894
   78    HB3  ALA  13           HB3      ALA  13  50.892  -8.587   4.054
   79    H    ASP  14           HN       ASP  14  52.974 -10.365   3.724
   80    HA   ASP  14           HA       ASP  14  52.064 -12.253   1.688
   81    HB2  ASP  14           HB2      ASP  14  54.531 -10.521   1.929
   82    HB3  ASP  14           HB1      ASP  14  54.254 -11.644   0.599
   83    H    ASN  15           HN       ASN  15  54.336 -12.037   4.344
   84    HA   ASN  15           HA       ASN  15  56.084 -14.104   3.847
   85    HB2  ASN  15           HB2      ASN  15  54.836 -13.060   6.366
   86    HB3  ASN  15           HB1      ASN  15  55.874 -14.483   6.428
   87   HD21  ASN  15          HD21      ASN  15  56.201 -11.430   7.196
   88   HD22  ASN  15          HD22      ASN  15  57.729 -11.060   6.557
   89    H    GLN  16           HN       GLN  16  52.689 -14.273   4.553
   90    HA   GLN  16           HA       GLN  16  52.740 -17.118   5.153
   91    HB2  GLN  16           HB2      GLN  16  50.419 -15.220   4.727
   92    HB3  GLN  16           HB1      GLN  16  50.289 -16.884   5.296
   93    HG2  GLN  16           HG2      GLN  16  51.649 -16.344   7.263
   94    HG3  GLN  16           HG1      GLN  16  51.855 -14.691   6.686
   95   HE21  GLN  16          HE21      GLN  16  50.206 -13.191   7.185
   96   HE22  GLN  16          HE22      GLN  16  48.748 -13.611   7.948
   97    H    SER  17           HN       SER  17  51.865 -14.985   2.479
   98    HA   SER  17           HA       SER  17  50.636 -16.892   0.816
   99    HB2  SER  17           HB2      SER  17  50.902 -15.315  -0.941
  100    HB3  SER  17           HB1      SER  17  50.696 -14.360   0.524
  101    HG   SER  17           HG       SER  17  53.183 -14.652   0.512
  102    H    GLU  18           HN       GLU  18  54.010 -15.727   0.836
  103    HA   GLU  18           HA       GLU  18  54.976 -17.447  -1.158
  104    HB2  GLU  18           HB2      GLU  18  57.109 -16.743  -0.535
  105    HB3  GLU  18           HB1      GLU  18  56.102 -15.415   0.042
  106    HG2  GLU  18           HG2      GLU  18  55.978 -16.785   2.256
  107    HG3  GLU  18           HG1      GLU  18  57.393 -17.626   1.625
  108    H    CYS  19           HN       CYS  19  53.720 -18.234   1.829
  109    HA   CYS  19           HA       CYS  19  55.371 -20.659   2.110
  110    HB2  CYS  19           HB2      CYS  19  54.196 -18.862   3.983
  111    HB3  CYS  19           HB1      CYS  19  53.421 -20.434   4.182
  112    HG   CYS  19           HG       CYS  19  56.011 -21.381   4.252
  113    H    GLU  20           HN       GLU  20  52.076 -19.531   1.593
  114    HA   GLU  20           HA       GLU  20  51.010 -22.239   1.568
  115    HB2  GLU  20           HB2      GLU  20  48.900 -21.267   1.496
  116    HB3  GLU  20           HB1      GLU  20  49.825 -20.035   2.357
  117    HG2  GLU  20           HG2      GLU  20  50.290 -19.060  -0.013
  118    HG3  GLU  20           HG1      GLU  20  48.917 -20.045  -0.514
  119    H    TYR  21           HN       TYR  21  52.177 -19.858  -0.670
  120    HA   TYR  21           HA       TYR  21  50.932 -20.569  -3.041
  121    HB2  TYR  21           HB2      TYR  21  52.323 -18.751  -3.311
  122    HB3  TYR  21           HB1      TYR  21  53.617 -19.464  -2.348
  123    HD1  TYR  21           HD1      TYR  21  55.107 -21.187  -3.313
  124    HD2  TYR  21           HD2      TYR  21  52.101 -19.226  -5.674
  125    HE1  TYR  21           HE1      TYR  21  56.204 -21.998  -5.384
  126    HE2  TYR  21           HE2      TYR  21  53.198 -20.038  -7.744
  127    HH   TYR  21           HH       TYR  21  55.123 -20.942  -8.571
  128    H    THR  22           HN       THR  22  53.613 -22.142  -1.368
  129    HA   THR  22           HA       THR  22  54.232 -23.997  -3.439
  130    HB   THR  22           HB       THR  22  55.439 -25.221  -1.646
  131    HG1  THR  22           HG1      THR  22  53.671 -24.025  -0.135
  132   HG21  THR  22          HG21      THR  22  56.328 -23.133  -2.826
  133   HG22  THR  22          HG22      THR  22  57.084 -23.536  -1.284
  134   HG23  THR  22          HG23      THR  22  55.885 -22.246  -1.368
  135    H    ASP  23           HN       ASP  23  51.741 -23.828  -1.060
  136    HA   ASP  23           HA       ASP  23  51.094 -26.677  -1.336
  137    HB2  ASP  23           HB2      ASP  23  50.726 -24.697   0.710
  138    HB3  ASP  23           HB1      ASP  23  49.157 -25.345   0.238
  139    H    TRP  24           HN       TRP  24  49.364 -23.557  -1.547
  140    HA   TRP  24           HA       TRP  24  46.985 -24.322  -2.616
  141    HB2  TRP  24           HB2      TRP  24  47.006 -22.053  -2.409
  142    HB3  TRP  24           HB1      TRP  24  48.689 -21.918  -2.918
  143    HD1  TRP  24           HD1      TRP  24  45.148 -22.271  -4.334
  144    HE1  TRP  24           HE1      TRP  24  45.170 -21.530  -6.803
  145    HE3  TRP  24           HE3      TRP  24  50.165 -21.599  -5.008
  146    HZ2  TRP  24           HZ2      TRP  24  47.066 -20.754  -8.800
  147    HZ3  TRP  24           HZ3      TRP  24  51.052 -20.859  -7.200
  148    HH2  TRP  24           HH2      TRP  24  49.510 -20.436  -9.095
  149    H    LYS  25           HN       LYS  25  49.992 -23.806  -4.451
  150    HA   LYS  25           HA       LYS  25  49.028 -24.301  -7.015
  151    HB2  LYS  25           HB2      LYS  25  51.361 -23.531  -6.320
  152    HB3  LYS  25           HB1      LYS  25  51.728 -25.234  -6.043
  153    HG2  LYS  25           HG2      LYS  25  51.151 -25.765  -8.364
  154    HG3  LYS  25           HG1      LYS  25  50.706 -24.083  -8.656
  155    HD2  LYS  25           HD2      LYS  25  52.970 -23.341  -8.328
  156    HD3  LYS  25           HD1      LYS  25  53.464 -24.927  -7.736
  157    HE2  LYS  25           HE2      LYS  25  54.176 -24.671 -10.060
  158    HE3  LYS  25           HE1      LYS  25  52.911 -25.895  -9.965
  159    HZ1  LYS  25           HZ1      LYS  25  52.254 -23.068 -10.497
  160    HZ2  LYS  25           HZ2      LYS  25  51.337 -24.457 -10.840
  161    HZ3  LYS  25           HZ3      LYS  25  52.723 -24.102 -11.756
  162    H    SER  26           HN       SER  26  49.830 -26.533  -4.432
  163    HA   SER  26           HA       SER  26  49.509 -28.855  -6.172
  164    HB2  SER  26           HB2      SER  26  51.215 -28.641  -4.245
  165    HB3  SER  26           HB1      SER  26  49.842 -28.930  -3.181
  166    HG   SER  26           HG       SER  26  50.430 -30.588  -5.398
  167    H    SER  27           HN       SER  27  47.948 -27.459  -3.288
  168    HA   SER  27           HA       SER  27  45.757 -29.339  -3.407
  169    HB2  SER  27           HB2      SER  27  46.436 -26.975  -1.688
  170    HB3  SER  27           HB1      SER  27  44.814 -27.661  -1.651
  171    HG   SER  27           HG       SER  27  45.694 -29.029  -0.312
  172    H    GLY  28           HN       GLY  28  46.478 -27.062  -5.493
  173    HA2  GLY  28           HA2      GLY  28  43.907 -25.677  -5.607
  174    HA3  GLY  28           HA1      GLY  28  45.296 -25.388  -6.650
  175    H    ALA  29           HN       ALA  29  44.690 -28.681  -6.314
  176    HA   ALA  29           HA       ALA  29  43.346 -28.748  -8.945
  177    HB1  ALA  29           HB1      ALA  29  45.395 -29.866  -9.180
  178    HB2  ALA  29           HB2      ALA  29  44.248 -31.175  -8.894
  179    HB3  ALA  29           HB3      ALA  29  45.281 -30.605  -7.583
  180    H    LEU  30           HN       LEU  30  42.213 -28.579  -6.099
  181    HA   LEU  30           HA       LEU  30  40.281 -30.777  -6.449
  182    HB2  LEU  30           HB2      LEU  30  40.242 -31.105  -3.990
  183    HB3  LEU  30           HB1      LEU  30  41.806 -31.507  -4.698
  184    HG   LEU  30           HG       LEU  30  41.964 -28.767  -4.121
  185   HD11  LEU  30          HD11      LEU  30  40.716 -30.316  -1.829
  186   HD12  LEU  30          HD12      LEU  30  39.960 -28.985  -2.705
  187   HD13  LEU  30          HD13      LEU  30  41.388 -28.690  -1.714
  188   HD21  LEU  30          HD21      LEU  30  43.765 -30.456  -3.941
  189   HD22  LEU  30          HD22      LEU  30  42.963 -31.154  -2.533
  190   HD23  LEU  30          HD23      LEU  30  43.621 -29.519  -2.453
  191    H    ILE  31           HN       ILE  31  41.026 -27.562  -5.242
  192    HA   ILE  31           HA       ILE  31  38.425 -27.007  -4.215
  193    HB   ILE  31           HB       ILE  31  40.178 -24.810  -5.188
  194   HG12  ILE  31          HG12      ILE  31  40.928 -26.894  -3.156
  195   HG13  ILE  31          HG11      ILE  31  41.936 -26.122  -4.380
  196   HG21  ILE  31          HG21      ILE  31  39.368 -23.710  -3.274
  197   HG22  ILE  31          HG22      ILE  31  39.007 -25.224  -2.444
  198   HG23  ILE  31          HG23      ILE  31  37.989 -24.685  -3.780
  199   HD11  ILE  31          HD11      ILE  31  42.637 -25.078  -2.395
  200   HD12  ILE  31          HD12      ILE  31  40.999 -25.013  -1.743
  201   HD13  ILE  31          HD13      ILE  31  41.470 -23.932  -3.054
  202    HA   PRO  32           HA       PRO  32  38.017 -24.813  -8.582
  203    HB2  PRO  32           HB2      PRO  32  39.289 -26.889 -10.267
  204    HB3  PRO  32           HB1      PRO  32  39.423 -25.124 -10.359
  205    HG2  PRO  32           HG2      PRO  32  41.430 -26.659  -9.478
  206    HG3  PRO  32           HG1      PRO  32  41.122 -25.038  -8.831
  207    HD2  PRO  32           HD2      PRO  32  40.508 -27.704  -7.610
  208    HD3  PRO  32           HD1      PRO  32  41.035 -26.199  -6.826
  209    H    ALA  33           HN       ALA  33  38.022 -28.295  -8.068
  210    HA   ALA  33           HA       ALA  33  36.016 -29.040  -9.883
  211    HB1  ALA  33           HB1      ALA  33  37.290 -30.769  -8.859
  212    HB2  ALA  33           HB2      ALA  33  35.646 -30.957  -8.249
  213    HB3  ALA  33           HB3      ALA  33  36.882 -30.208  -7.238
  214    H    ILE  34           HN       ILE  34  35.615 -28.669  -6.352
  215    HA   ILE  34           HA       ILE  34  32.829 -28.676  -6.333
  216    HB   ILE  34           HB       ILE  34  34.923 -27.586  -4.489
  217   HG12  ILE  34          HG12      ILE  34  33.992 -30.053  -4.768
  218   HG13  ILE  34          HG11      ILE  34  34.340 -29.404  -3.166
  219   HG21  ILE  34          HG21      ILE  34  32.920 -27.105  -2.914
  220   HG22  ILE  34          HG22      ILE  34  31.959 -27.029  -4.392
  221   HG23  ILE  34          HG23      ILE  34  33.298 -25.908  -4.150
  222   HD11  ILE  34          HD11      ILE  34  32.060 -29.008  -2.699
  223   HD12  ILE  34          HD12      ILE  34  32.052 -30.566  -3.524
  224   HD13  ILE  34          HD13      ILE  34  31.601 -29.104  -4.399
  225    H    TYR  35           HN       TYR  35  35.090 -25.985  -6.741
  226    HA   TYR  35           HA       TYR  35  33.257 -23.868  -6.640
  227    HB2  TYR  35           HB2      TYR  35  35.999 -24.276  -7.511
  228    HB3  TYR  35           HB1      TYR  35  35.151 -23.132  -8.551
  229    HD1  TYR  35           HD2      TYR  35  36.039 -23.895  -5.021
  230    HD2  TYR  35           HD1      TYR  35  34.552 -20.956  -7.777
  231    HE1  TYR  35           HE2      TYR  35  36.238 -22.151  -3.268
  232    HE2  TYR  35           HE1      TYR  35  34.752 -19.211  -6.025
  233    HH   TYR  35           HH       TYR  35  35.932 -20.021  -2.754
  234    H    MET  36           HN       MET  36  34.642 -25.339  -9.589
  235    HA   MET  36           HA       MET  36  32.889 -24.128 -11.402
  236    HB2  MET  36           HB2      MET  36  34.658 -26.530 -11.454
  237    HB3  MET  36           HB1      MET  36  33.460 -26.358 -12.738
  238    HG2  MET  36           HG2      MET  36  35.357 -24.134 -11.955
  239    HG3  MET  36           HG1      MET  36  35.722 -25.303 -13.224
  240    HE1  MET  36           HE1      MET  36  35.346 -22.004 -13.226
  241    HE2  MET  36           HE2      MET  36  33.973 -22.176 -12.135
  242    HE3  MET  36           HE3      MET  36  33.741 -21.451 -13.725
  243    H    LEU  37           HN       LEU  37  32.733 -27.428 -10.043
  244    HA   LEU  37           HA       LEU  37  30.383 -28.301 -11.171
  245    HB2  LEU  37           HB2      LEU  37  31.934 -29.566  -9.595
  246    HB3  LEU  37           HB1      LEU  37  31.068 -28.785  -8.271
  247    HG   LEU  37           HG       LEU  37  28.960 -29.670  -9.697
  248   HD11  LEU  37          HD11      LEU  37  30.592 -30.700 -11.359
  249   HD12  LEU  37          HD12      LEU  37  29.391 -31.807 -10.695
  250   HD13  LEU  37          HD13      LEU  37  31.046 -31.831 -10.083
  251   HD21  LEU  37          HD21      LEU  37  29.206 -30.173  -7.369
  252   HD22  LEU  37          HD22      LEU  37  30.650 -31.142  -7.662
  253   HD23  LEU  37          HD23      LEU  37  29.073 -31.731  -8.186
  254    H    VAL  38           HN       VAL  38  30.824 -25.997  -8.569
  255    HA   VAL  38           HA       VAL  38  27.933 -25.852  -8.097
  256    HB   VAL  38           HB       VAL  38  30.307 -24.596  -6.712
  257   HG11  VAL  38          HG11      VAL  38  28.686 -22.924  -6.468
  258   HG12  VAL  38          HG12      VAL  38  28.383 -23.937  -5.057
  259   HG13  VAL  38          HG13      VAL  38  27.353 -24.077  -6.481
  260   HG21  VAL  38          HG21      VAL  38  28.184 -26.541  -5.750
  261   HG22  VAL  38          HG22      VAL  38  29.607 -26.009  -4.853
  262   HG23  VAL  38          HG23      VAL  38  29.795 -27.015  -6.290
  263    H    PHE  39           HN       PHE  39  30.271 -24.420 -10.052
  264    HA   PHE  39           HA       PHE  39  29.030 -21.784 -10.125
  265    HB2  PHE  39           HB2      PHE  39  31.560 -22.340 -10.405
  266    HB3  PHE  39           HB1      PHE  39  31.113 -22.743 -12.064
  267    HD1  PHE  39           HD2      PHE  39  30.071 -21.018 -13.537
  268    HD2  PHE  39           HD1      PHE  39  31.595 -20.065  -9.635
  269    HE1  PHE  39           HE2      PHE  39  30.060 -18.607 -14.121
  270    HE2  PHE  39           HE1      PHE  39  31.584 -17.655 -10.219
  271    HZ   PHE  39           HZ       PHE  39  30.816 -16.926 -12.461
  272    H    LEU  40           HN       LEU  40  29.715 -24.345 -12.520
  273    HA   LEU  40           HA       LEU  40  27.968 -23.253 -14.486
  274    HB2  LEU  40           HB2      LEU  40  28.240 -25.533 -15.559
  275    HB3  LEU  40           HB1      LEU  40  29.739 -24.660 -15.246
  276    HG   LEU  40           HG       LEU  40  29.032 -26.206 -12.919
  277   HD11  LEU  40          HD11      LEU  40  29.282 -27.775 -15.502
  278   HD12  LEU  40          HD12      LEU  40  27.804 -27.616 -14.554
  279   HD13  LEU  40          HD13      LEU  40  29.198 -28.456 -13.877
  280   HD21  LEU  40          HD21      LEU  40  31.291 -25.357 -13.627
  281   HD22  LEU  40          HD22      LEU  40  31.287 -26.558 -14.918
  282   HD23  LEU  40          HD23      LEU  40  31.280 -27.076 -13.233
  283    H    LEU  41           HN       LEU  41  27.207 -24.546 -11.584
  284    HA   LEU  41           HA       LEU  41  24.604 -25.560 -12.563
  285    HB2  LEU  41           HB2      LEU  41  26.175 -26.539 -10.166
  286    HB3  LEU  41           HB1      LEU  41  24.569 -27.096 -10.631
  287    HG   LEU  41           HG       LEU  41  27.064 -27.331 -12.344
  288   HD11  LEU  41          HD11      LEU  41  27.421 -29.372 -11.441
  289   HD12  LEU  41          HD12      LEU  41  25.709 -29.784 -11.504
  290   HD13  LEU  41          HD13      LEU  41  26.344 -28.863 -10.142
  291   HD21  LEU  41          HD21      LEU  41  24.160 -27.917 -12.777
  292   HD22  LEU  41          HD22      LEU  41  25.342 -29.026 -13.473
  293   HD23  LEU  41          HD23      LEU  41  25.365 -27.320 -13.918
  294    H    GLY  42           HN       GLY  42  26.375 -23.609 -10.294
  295    HA2  GLY  42           HA2      GLY  42  23.880 -22.848  -8.918
  296    HA3  GLY  42           HA1      GLY  42  25.509 -22.548  -8.321
  297    H    THR  43           HN       THR  43  25.697 -21.895 -11.508
  298    HA   THR  43           HA       THR  43  24.668 -19.146 -11.316
  299    HB   THR  43           HB       THR  43  27.392 -19.542 -12.479
  300    HG1  THR  43           HG1      THR  43  28.167 -19.051 -10.310
  301   HG21  THR  43          HG21      THR  43  27.655 -17.237 -11.764
  302   HG22  THR  43          HG22      THR  43  26.141 -17.307 -10.860
  303   HG23  THR  43          HG23      THR  43  26.122 -17.389 -12.622
  304    H    THR  44           HN       THR  44  23.883 -21.589 -12.785
  305    HA   THR  44           HA       THR  44  24.002 -20.446 -15.502
  306    HB   THR  44           HB       THR  44  24.416 -23.353 -14.770
  307    HG1  THR  44           HG1      THR  44  26.429 -23.013 -15.588
  308   HG21  THR  44          HG21      THR  44  23.838 -21.956 -17.372
  309   HG22  THR  44          HG22      THR  44  23.126 -23.436 -16.731
  310   HG23  THR  44          HG23      THR  44  24.780 -23.447 -17.345
  311    H    GLY  45           HN       GLY  45  22.457 -22.911 -13.441
  312    HA2  GLY  45           HA2      GLY  45  19.950 -22.544 -14.946
  313    HA3  GLY  45           HA1      GLY  45  20.324 -23.903 -13.890
  314    H    ASN  46           HN       ASN  46  21.482 -21.515 -12.132
  315    HA   ASN  46           HA       ASN  46  19.173 -21.389 -10.411
  316    HB2  ASN  46           HB2      ASN  46  20.684 -20.883  -8.830
  317    HB3  ASN  46           HB1      ASN  46  21.921 -21.153 -10.056
  318   HD21  ASN  46          HD21      ASN  46  22.660 -19.201 -11.296
  319   HD22  ASN  46          HD22      ASN  46  22.520 -17.666 -10.585
  320    H    GLY  47           HN       GLY  47  21.031 -19.038 -12.333
  321    HA2  GLY  47           HA2      GLY  47  19.385 -16.805 -11.697
  322    HA3  GLY  47           HA1      GLY  47  20.523 -16.903 -13.037
  323    H    LEU  48           HN       LEU  48  19.545 -18.939 -14.549
  324    HA   LEU  48           HA       LEU  48  17.528 -17.752 -16.062
  325    HB2  LEU  48           HB2      LEU  48  19.070 -19.561 -16.849
  326    HB3  LEU  48           HB1      LEU  48  18.139 -20.713 -15.895
  327    HG   LEU  48           HG       LEU  48  16.093 -20.080 -17.176
  328   HD11  LEU  48          HD11      LEU  48  16.333 -17.967 -18.069
  329   HD12  LEU  48          HD12      LEU  48  16.836 -18.914 -19.468
  330   HD13  LEU  48          HD13      LEU  48  18.048 -18.188 -18.414
  331   HD21  LEU  48          HD21      LEU  48  17.290 -22.034 -17.909
  332   HD22  LEU  48          HD22      LEU  48  18.508 -21.053 -18.723
  333   HD23  LEU  48          HD23      LEU  48  16.863 -21.120 -19.355
  334    H    VAL  49           HN       VAL  49  17.293 -20.352 -13.642
  335    HA   VAL  49           HA       VAL  49  14.523 -20.780 -13.849
  336    HB   VAL  49           HB       VAL  49  16.532 -21.239 -11.657
  337   HG11  VAL  49          HG11      VAL  49  13.536 -21.458 -11.568
  338   HG12  VAL  49          HG12      VAL  49  14.647 -20.893 -10.320
  339   HG13  VAL  49          HG13      VAL  49  14.520 -22.616 -10.673
  340   HG21  VAL  49          HG21      VAL  49  16.055 -22.624 -13.914
  341   HG22  VAL  49          HG22      VAL  49  14.819 -23.348 -12.886
  342   HG23  VAL  49          HG23      VAL  49  16.515 -23.417 -12.407
  343    H    LEU  50           HN       LEU  50  16.100 -19.214 -11.067
  344    HA   LEU  50           HA       LEU  50  13.961 -18.024  -9.892
  345    HB2  LEU  50           HB2      LEU  50  16.787 -17.046 -10.234
  346    HB3  LEU  50           HB1      LEU  50  15.602 -16.106  -9.326
  347    HG   LEU  50           HG       LEU  50  15.859 -19.023  -8.712
  348   HD11  LEU  50          HD11      LEU  50  17.911 -16.907  -8.163
  349   HD12  LEU  50          HD12      LEU  50  18.138 -18.616  -8.530
  350   HD13  LEU  50          HD13      LEU  50  17.597 -18.124  -6.926
  351   HD21  LEU  50          HD21      LEU  50  15.649 -16.783  -6.729
  352   HD22  LEU  50          HD22      LEU  50  14.936 -18.394  -6.672
  353   HD23  LEU  50          HD23      LEU  50  14.244 -17.161  -7.725
  354    H    TRP  51           HN       TRP  51  15.439 -17.115 -12.912
  355    HA   TRP  51           HA       TRP  51  14.093 -14.554 -13.070
  356    HB2  TRP  51           HB2      TRP  51  16.233 -14.758 -14.164
  357    HB3  TRP  51           HB1      TRP  51  15.682 -16.156 -15.085
  358    HD1  TRP  51           HD1      TRP  51  15.408 -12.373 -14.912
  359    HE1  TRP  51           HE1      TRP  51  14.278 -11.512 -17.064
  360    HE3  TRP  51           HE3      TRP  51  13.992 -16.811 -17.002
  361    HZ2  TRP  51           HZ2      TRP  51  12.951 -12.565 -19.367
  362    HZ3  TRP  51           HZ3      TRP  51  12.796 -16.853 -19.173
  363    HH2  TRP  51           HH2      TRP  51  12.276 -14.738 -20.356
  364    H    THR  52           HN       THR  52  13.815 -17.708 -14.709
  365    HA   THR  52           HA       THR  52  11.553 -17.000 -16.274
  366    HB   THR  52           HB       THR  52  12.844 -19.588 -15.472
  367    HG1  THR  52           HG1      THR  52  13.651 -19.332 -17.377
  368   HG21  THR  52          HG21      THR  52  11.089 -20.609 -17.095
  369   HG22  THR  52          HG22      THR  52  10.124 -19.187 -16.700
  370   HG23  THR  52          HG23      THR  52  10.606 -20.307 -15.425
  371    H    VAL  53           HN       VAL  53  11.906 -18.643 -13.148
  372    HA   VAL  53           HA       VAL  53   9.206 -19.277 -12.732
  373    HB   VAL  53           HB       VAL  53  11.518 -18.777 -10.875
  374   HG11  VAL  53          HG11      VAL  53   9.847 -19.807  -9.146
  375   HG12  VAL  53          HG12      VAL  53   8.606 -19.171 -10.226
  376   HG13  VAL  53          HG13      VAL  53   9.769 -18.077  -9.477
  377   HG21  VAL  53          HG21      VAL  53  11.423 -21.149 -10.567
  378   HG22  VAL  53          HG22      VAL  53  11.251 -20.884 -12.301
  379   HG23  VAL  53          HG23      VAL  53   9.831 -21.251 -11.322
  380    H    PHE  54           HN       PHE  54  11.060 -16.395 -11.777
  381    HA   PHE  54           HA       PHE  54   9.055 -15.055 -10.378
  382    HB2  PHE  54           HB2      PHE  54  11.516 -14.242 -11.842
  383    HB3  PHE  54           HB1      PHE  54  10.352 -12.975 -11.452
  384    HD1  PHE  54           HD1      PHE  54  11.303 -16.095  -9.610
  385    HD2  PHE  54           HD2      PHE  54  11.187 -11.802  -9.601
  386    HE1  PHE  54           HE1      PHE  54  12.106 -16.079  -7.264
  387    HE2  PHE  54           HE2      PHE  54  11.989 -11.786  -7.254
  388    HZ   PHE  54           HZ       PHE  54  12.449 -13.924  -6.085
  389    H    ARG  55           HN       ARG  55   9.409 -15.616 -13.775
  390    HA   ARG  55           HA       ARG  55   7.367 -13.605 -14.428
  391    HB2  ARG  55           HB2      ARG  55   9.429 -15.113 -15.971
  392    HB3  ARG  55           HB1      ARG  55   7.961 -14.625 -16.819
  393    HG2  ARG  55           HG2      ARG  55   8.444 -12.377 -16.652
  394    HG3  ARG  55           HG1      ARG  55   9.290 -12.562 -15.117
  395    HD2  ARG  55           HD2      ARG  55  10.500 -13.799 -17.559
  396    HD3  ARG  55           HD1      ARG  55  10.624 -12.055 -17.351
  397    HE   ARG  55           HE       ARG  55  12.088 -14.024 -15.898
  398   HH11  ARG  55          HH21      ARG  55  10.477 -10.974 -15.631
  399   HH12  ARG  55          HH22      ARG  55  11.442 -10.424 -14.301
  400   HH21  ARG  55          HH11      ARG  55  13.351 -13.314 -14.148
  401   HH22  ARG  55          HH12      ARG  55  13.070 -11.750 -13.461
  402    H    LYS  56           HN       LYS  56   7.354 -16.634 -13.297
  403    HA   LYS  56           HA       LYS  56   4.956 -17.389 -14.857
  404    HB2  LYS  56           HB2      LYS  56   5.689 -19.523 -15.076
  405    HB3  LYS  56           HB1      LYS  56   7.276 -18.813 -14.794
  406    HG2  LYS  56           HG2      LYS  56   6.905 -19.227 -12.311
  407    HG3  LYS  56           HG1      LYS  56   5.467 -20.151 -12.753
  408    HD2  LYS  56           HD2      LYS  56   8.082 -20.816 -14.074
  409    HD3  LYS  56           HD1      LYS  56   7.769 -21.386 -12.437
  410    HE2  LYS  56           HE2      LYS  56   5.936 -21.843 -14.807
  411    HE3  LYS  56           HE1      LYS  56   7.054 -23.038 -14.148
  412    HZ1  LYS  56           HZ1      LYS  56   4.475 -22.564 -13.324
  413    HZ2  LYS  56           HZ2      LYS  56   5.448 -21.895 -12.102
  414    HZ3  LYS  56           HZ3      LYS  56   5.631 -23.527 -12.540
  415    H    LYS  57           HN       LYS  57   6.417 -16.841 -11.782
  416    HA   LYS  57           HA       LYS  57   4.216 -18.029 -10.285
  417    HB2  LYS  57           HB2      LYS  57   6.915 -17.406  -9.729
  418    HB3  LYS  57           HB1      LYS  57   5.943 -16.360  -8.694
  419    HG2  LYS  57           HG2      LYS  57   6.310 -18.431  -7.504
  420    HG3  LYS  57           HG1      LYS  57   4.621 -18.400  -8.013
  421    HD2  LYS  57           HD2      LYS  57   6.008 -19.542 -10.170
  422    HD3  LYS  57           HD1      LYS  57   6.715 -20.279  -8.732
  423    HE2  LYS  57           HE2      LYS  57   3.758 -20.154  -9.399
  424    HE3  LYS  57           HE1      LYS  57   4.780 -21.589  -9.476
  425    HZ1  LYS  57           HZ1      LYS  57   4.931 -20.246  -6.950
  426    HZ2  LYS  57           HZ2      LYS  57   4.637 -21.884  -7.291
  427    HZ3  LYS  57           HZ3      LYS  57   3.357 -20.766  -7.313
  428    H    GLY  58           HN       GLY  58   5.390 -14.882 -11.298
  429    HA2  GLY  58           HA2      GLY  58   3.517 -13.397  -9.674
  430    HA3  GLY  58           HA1      GLY  58   4.578 -12.742 -10.918
  431    H    HIS  59           HN       HIS  59   3.647 -14.686 -12.927
  432    HA   HIS  59           HA       HIS  59   1.588 -13.165 -14.097
  433    HB2  HIS  59           HB2      HIS  59   2.300 -14.359 -15.851
  434    HB3  HIS  59           HB1      HIS  59   3.173 -15.459 -14.784
  435    HD2  HIS  59           HD2      HIS  59   1.845 -17.895 -14.243
  436    HE1  HIS  59           HE1      HIS  59  -1.550 -17.121 -16.630
  437    HE2  HIS  59           HE2      HIS  59  -0.338 -18.892 -15.274
  438    H    HIS  60           HN       HIS  60   1.477 -15.427 -11.590
  439    HA   HIS  60           HA       HIS  60  -1.455 -15.538 -11.788
  440    HB2  HIS  60           HB2      HIS  60  -0.396 -17.673 -12.678
  441    HB3  HIS  60           HB1      HIS  60   0.187 -17.959 -11.038
  442    HD2  HIS  60           HD2      HIS  60  -3.021 -16.482 -10.183
  443    HE1  HIS  60           HE1      HIS  60  -4.109 -20.435 -11.187
  444    HE2  HIS  60           HE2      HIS  60  -4.886 -18.304 -10.046
  445    H    HIS  61           HN       HIS  61  -1.222 -13.855 -10.149
  446    HA   HIS  61           HA       HIS  61  -0.081 -14.580  -7.585
  447    HB2  HIS  61           HB2      HIS  61  -0.428 -12.195  -8.815
  448    HB3  HIS  61           HB1      HIS  61  -1.859 -12.222  -7.783
  449    HD2  HIS  61           HD2      HIS  61   1.623 -11.002  -7.419
  450    HE1  HIS  61           HE1      HIS  61   0.667 -12.437  -3.565
  451    HE2  HIS  61           HE2      HIS  61   2.310 -11.034  -4.899
  452    H    HIS  62           HN       HIS  62  -2.204 -16.287  -8.551
  453    HA   HIS  62           HA       HIS  62  -3.921 -17.455  -7.534
  454    HB2  HIS  62           HB2      HIS  62  -2.813 -16.287  -5.399
  455    HB3  HIS  62           HB1      HIS  62  -4.335 -15.395  -5.424
  456    HD2  HIS  62           HD2      HIS  62  -3.240 -19.225  -5.330
  457    HE1  HIS  62           HE1      HIS  62  -7.085 -18.837  -3.629
  458    HE2  HIS  62           HE2      HIS  62  -5.200 -20.463  -4.126
  459    H    HIS  63           HN       HIS  63  -4.563 -13.991  -6.929
  460    HA   HIS  63           HA       HIS  63  -7.296 -14.240  -7.796
  461    HB2  HIS  63           HB2      HIS  63  -5.578 -11.866  -7.056
  462    HB3  HIS  63           HB1      HIS  63  -7.269 -11.723  -7.536
  463    HD2  HIS  63           HD2      HIS  63  -6.878 -14.900  -5.492
  464    HE1  HIS  63           HE1      HIS  63  -7.976 -11.909  -2.723
  465    HE2  HIS  63           HE2      HIS  63  -7.698 -14.410  -3.062
  466    H    HIS  64           HN       HIS  64  -5.596 -15.122  -9.825
  467    HA   HIS  64           HA       HIS  64  -4.727 -13.437 -11.779
  468    HB2  HIS  64           HB2      HIS  64  -4.716 -15.272 -13.103
  469    HB3  HIS  64           HB1      HIS  64  -5.257 -16.122 -11.655
  470    HD2  HIS  64           HD2      HIS  64  -6.675 -14.996 -15.112
  471    HE1  HIS  64           HE1      HIS  64  -9.800 -16.909 -13.014
  472    HE2  HIS  64           HE2      HIS  64  -9.102 -15.946 -15.259
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  42.846  -5.305 -11.813
    2    H2   MET   1           HT2      MET   1  42.945  -6.825 -11.059
    3    H3   MET   1           HT3      MET   1  44.123  -5.641 -10.748
    4    HA   MET   1           HA       MET   1  42.525  -4.250  -9.642
    5    HB2  MET   1           HB2      MET   1  40.300  -5.872  -9.283
    6    HB3  MET   1           HB1      MET   1  40.394  -4.482 -10.365
    7    HG2  MET   1           HG2      MET   1  41.063  -5.897 -12.218
    8    HG3  MET   1           HG1      MET   1  41.177  -7.301 -11.156
    9    HE1  MET   1           HE1      MET   1  37.946  -6.867 -13.801
   10    HE2  MET   1           HE2      MET   1  39.686  -7.148 -13.827
   11    HE3  MET   1           HE3      MET   1  39.069  -5.506 -13.665
   12    H    GLU   2           HN       GLU   2  41.951  -7.770  -9.377
   13    HA   GLU   2           HA       GLU   2  42.114  -9.178  -7.555
   14    HB2  GLU   2           HB2      GLU   2  44.673  -7.585  -7.270
   15    HB3  GLU   2           HB1      GLU   2  44.340  -9.116  -6.460
   16    HG2  GLU   2           HG2      GLU   2  43.926 -10.117  -8.754
   17    HG3  GLU   2           HG1      GLU   2  44.561  -8.622  -9.437
   18    H    GLU   3           HN       GLU   3  40.290  -7.471  -6.842
   19    HA   GLU   3           HA       GLU   3  39.305  -6.288  -5.126
   20    HB2  GLU   3           HB2      GLU   3  41.188  -8.078  -3.571
   21    HB3  GLU   3           HB1      GLU   3  39.866  -7.155  -2.855
   22    HG2  GLU   3           HG2      GLU   3  38.228  -8.358  -4.161
   23    HG3  GLU   3           HG1      GLU   3  39.490  -9.157  -5.096
   24    H    GLY   4           HN       GLY   4  40.519  -4.379  -6.026
   25    HA2  GLY   4           HA2      GLY   4  41.637  -2.863  -3.905
   26    HA3  GLY   4           HA1      GLY   4  42.916  -3.399  -4.991
   27    H    GLY   5           HN       GLY   5  39.568  -2.305  -5.559
   28    HA2  GLY   5           HA2      GLY   5  40.597  -0.462  -7.617
   29    HA3  GLY   5           HA1      GLY   5  38.944  -1.062  -7.512
   30    H    ASP   6           HN       ASP   6  41.289   1.150  -6.094
   31    HA   ASP   6           HA       ASP   6  39.066   2.850  -5.198
   32    HB2  ASP   6           HB2      ASP   6  41.346   1.878  -3.473
   33    HB3  ASP   6           HB1      ASP   6  40.383   3.298  -3.072
   34    H    PHE   7           HN       PHE   7  40.638   3.180  -7.481
   35    HA   PHE   7           HA       PHE   7  42.032   4.664  -8.559
   36    HB2  PHE   7           HB2      PHE   7  41.504   6.693  -6.435
   37    HB3  PHE   7           HB1      PHE   7  41.468   6.867  -8.189
   38    HD1  PHE   7           HD1      PHE   7  39.724   4.667  -9.032
   39    HD2  PHE   7           HD2      PHE   7  39.369   7.319  -5.671
   40    HE1  PHE   7           HE1      PHE   7  37.269   4.320  -9.018
   41    HE2  PHE   7           HE2      PHE   7  36.913   6.971  -5.657
   42    HZ   PHE   7           HZ       PHE   7  35.863   5.471  -7.331
   43    H    ASP   8           HN       ASP   8  43.464   2.956  -6.951
   44    HA   ASP   8           HA       ASP   8  45.676   4.701  -6.100
   45    HB2  ASP   8           HB2      ASP   8  44.232   2.675  -4.453
   46    HB3  ASP   8           HB1      ASP   8  45.978   2.811  -4.257
   47    H    ASN   9           HN       ASN   9  44.803   2.602  -8.280
   48    HA   ASN   9           HA       ASN   9  46.390   0.351  -8.220
   49    HB2  ASN   9           HB2      ASN   9  46.516   0.663 -10.761
   50    HB3  ASN   9           HB1      ASN   9  44.907   0.577 -10.046
   51   HD21  ASN   9          HD21      ASN   9  46.485   2.237 -12.371
   52   HD22  ASN   9          HD22      ASN   9  45.729   3.751 -12.235
   53    H    TYR  10           HN       TYR  10  48.382  -0.014  -9.633
   54    HA   TYR  10           HA       TYR  10  50.629   0.295  -9.936
   55    HB2  TYR  10           HB2      TYR  10  49.502   2.257 -11.254
   56    HB3  TYR  10           HB1      TYR  10  50.208   3.256  -9.983
   57    HD1  TYR  10           HD2      TYR  10  50.978   0.799 -12.661
   58    HD2  TYR  10           HD1      TYR  10  52.570   3.646  -9.867
   59    HE1  TYR  10           HE2      TYR  10  53.190   0.655 -13.774
   60    HE2  TYR  10           HE1      TYR  10  54.782   3.502 -10.980
   61    HH   TYR  10           HH       TYR  10  55.690   1.095 -12.956
   62    H    TYR  11           HN       TYR  11  52.456   0.559  -8.710
   63    HA   TYR  11           HA       TYR  11  53.562   0.674  -6.679
   64    HB2  TYR  11           HB2      TYR  11  53.576   3.046  -7.812
   65    HB3  TYR  11           HB1      TYR  11  52.533   3.479  -6.458
   66    HD1  TYR  11           HD2      TYR  11  55.850   2.054  -7.355
   67    HD2  TYR  11           HD1      TYR  11  53.403   3.735  -4.252
   68    HE1  TYR  11           HE2      TYR  11  57.834   2.206  -5.873
   69    HE2  TYR  11           HE1      TYR  11  55.386   3.888  -2.770
   70    HH   TYR  11           HH       TYR  11  58.145   2.248  -3.221
   71    H    GLY  12           HN       GLY  12  50.986  -0.423  -6.391
   72    HA2  GLY  12           HA2      GLY  12  50.559  -0.637  -3.740
   73    HA3  GLY  12           HA1      GLY  12  49.691   0.847  -4.124
   74    H    ALA  13           HN       ALA  13  50.002  -1.825  -6.369
   75    HA   ALA  13           HA       ALA  13  47.154  -2.508  -5.942
   76    HB1  ALA  13           HB1      ALA  13  48.017  -2.902  -8.680
   77    HB2  ALA  13           HB2      ALA  13  48.215  -1.220  -8.189
   78    HB3  ALA  13           HB3      ALA  13  46.636  -1.994  -8.064
   79    H    ASP  14           HN       ASP  14  50.392  -3.531  -6.748
   80    HA   ASP  14           HA       ASP  14  49.508  -6.328  -6.978
   81    HB2  ASP  14           HB2      ASP  14  52.203  -5.064  -7.530
   82    HB3  ASP  14           HB1      ASP  14  51.798  -6.761  -7.784
   83    H    ASN  15           HN       ASN  15  51.018  -4.111  -4.830
   84    HA   ASN  15           HA       ASN  15  52.652  -5.791  -3.300
   85    HB2  ASN  15           HB2      ASN  15  52.794  -3.464  -2.880
   86    HB3  ASN  15           HB1      ASN  15  51.058  -3.327  -2.605
   87   HD21  ASN  15          HD21      ASN  15  54.116  -4.294  -1.132
   88   HD22  ASN  15          HD22      ASN  15  53.496  -4.517   0.432
   89    H    GLN  16           HN       GLN  16  49.218  -5.639  -3.569
   90    HA   GLN  16           HA       GLN  16  48.849  -7.210  -1.109
   91    HB2  GLN  16           HB2      GLN  16  46.465  -6.768  -1.407
   92    HB3  GLN  16           HB1      GLN  16  47.372  -5.256  -1.466
   93    HG2  GLN  16           HG2      GLN  16  47.436  -5.766  -4.060
   94    HG3  GLN  16           HG1      GLN  16  46.014  -6.739  -3.687
   95   HE21  GLN  16          HE21      GLN  16  44.178  -5.560  -2.568
   96   HE22  GLN  16          HE22      GLN  16  43.983  -3.901  -2.861
   97    H    SER  17           HN       SER  17  49.603  -7.803  -4.221
   98    HA   SER  17           HA       SER  17  47.820 -10.118  -4.541
   99    HB2  SER  17           HB2      SER  17  48.394 -10.119  -6.812
  100    HB3  SER  17           HB1      SER  17  48.362  -8.403  -6.413
  101    HG   SER  17           HG       SER  17  50.355  -9.759  -7.419
  102    H    GLU  18           HN       GLU  18  51.289  -9.306  -4.553
  103    HA   GLU  18           HA       GLU  18  52.337 -11.865  -4.830
  104    HB2  GLU  18           HB2      GLU  18  53.481  -9.678  -3.079
  105    HB3  GLU  18           HB1      GLU  18  54.365 -10.997  -3.846
  106    HG2  GLU  18           HG2      GLU  18  53.669 -10.122  -6.074
  107    HG3  GLU  18           HG1      GLU  18  52.896  -8.759  -5.267
  108    H    CYS  19           HN       CYS  19  50.575 -10.526  -2.221
  109    HA   CYS  19           HA       CYS  19  51.612 -12.389  -0.236
  110    HB2  CYS  19           HB2      CYS  19  49.304 -10.437  -0.066
  111    HB3  CYS  19           HB1      CYS  19  50.022 -11.317   1.283
  112    HG   CYS  19           HG       CYS  19  51.770  -9.577   1.409
  113    H    GLU  20           HN       GLU  20  48.872 -12.041  -2.381
  114    HA   GLU  20           HA       GLU  20  47.467 -14.291  -1.150
  115    HB2  GLU  20           HB2      GLU  20  45.955 -12.624  -1.807
  116    HB3  GLU  20           HB1      GLU  20  46.804 -12.320  -3.323
  117    HG2  GLU  20           HG2      GLU  20  45.969 -14.268  -4.331
  118    HG3  GLU  20           HG1      GLU  20  45.586 -15.018  -2.783
  119    H    TYR  21           HN       TYR  21  49.466 -13.547  -3.908
  120    HA   TYR  21           HA       TYR  21  48.865 -15.610  -5.658
  121    HB2  TYR  21           HB2      TYR  21  50.442 -13.913  -6.299
  122    HB3  TYR  21           HB1      TYR  21  51.532 -14.356  -4.984
  123    HD1  TYR  21           HD1      TYR  21  52.755 -16.516  -5.033
  124    HD2  TYR  21           HD2      TYR  21  50.337 -15.206  -8.333
  125    HE1  TYR  21           HE1      TYR  21  53.844 -18.195  -6.498
  126    HE2  TYR  21           HE2      TYR  21  51.426 -16.883  -9.798
  127    HH   TYR  21           HH       TYR  21  54.162 -18.806  -8.672
  128    H    THR  22           HN       THR  22  50.630 -15.696  -2.633
  129    HA   THR  22           HA       THR  22  51.578 -18.407  -3.036
  130    HB   THR  22           HB       THR  22  52.211 -18.122  -0.554
  131    HG1  THR  22           HG1      THR  22  50.729 -15.957  -0.960
  132   HG21  THR  22          HG21      THR  22  53.792 -17.875  -2.439
  133   HG22  THR  22          HG22      THR  22  54.140 -16.720  -1.153
  134   HG23  THR  22          HG23      THR  22  53.309 -16.188  -2.614
  135    H    ASP  23           HN       ASP  23  48.689 -16.954  -2.049
  136    HA   ASP  23           HA       ASP  23  47.888 -19.248  -0.392
  137    HB2  ASP  23           HB2      ASP  23  47.310 -16.478  -0.307
  138    HB3  ASP  23           HB1      ASP  23  45.807 -17.299  -0.724
  139    H    TRP  24           HN       TRP  24  46.893 -17.442  -3.286
  140    HA   TRP  24           HA       TRP  24  44.634 -18.944  -3.961
  141    HB2  TRP  24           HB2      TRP  24  44.735 -17.156  -5.360
  142    HB3  TRP  24           HB1      TRP  24  46.498 -17.143  -5.380
  143    HD1  TRP  24           HD1      TRP  24  43.495 -18.866  -7.018
  144    HE1  TRP  24           HE1      TRP  24  44.267 -19.940  -9.231
  145    HE3  TRP  24           HE3      TRP  24  48.525 -18.055  -6.682
  146    HZ2  TRP  24           HZ2      TRP  24  46.698 -20.395 -10.668
  147    HZ3  TRP  24           HZ3      TRP  24  50.044 -18.818  -8.486
  148    HH2  TRP  24           HH2      TRP  24  49.138 -19.986 -10.476
  149    H    LYS  25           HN       LYS  25  48.027 -19.398  -4.949
  150    HA   LYS  25           HA       LYS  25  47.683 -21.611  -6.611
  151    HB2  LYS  25           HB2      LYS  25  49.807 -20.336  -6.331
  152    HB3  LYS  25           HB1      LYS  25  50.020 -21.101  -4.756
  153    HG2  LYS  25           HG2      LYS  25  50.097 -23.305  -5.777
  154    HG3  LYS  25           HG1      LYS  25  49.720 -22.624  -7.360
  155    HD2  LYS  25           HD2      LYS  25  51.822 -21.294  -7.257
  156    HD3  LYS  25           HD1      LYS  25  52.213 -22.075  -5.724
  157    HE2  LYS  25           HE2      LYS  25  53.360 -23.219  -7.568
  158    HE3  LYS  25           HE1      LYS  25  52.150 -24.284  -6.851
  159    HZ1  LYS  25           HZ1      LYS  25  52.265 -24.013  -9.407
  160    HZ2  LYS  25           HZ2      LYS  25  51.418 -22.568  -9.125
  161    HZ3  LYS  25           HZ3      LYS  25  50.752 -24.054  -8.641
  162    H    SER  26           HN       SER  26  47.379 -21.352  -3.193
  163    HA   SER  26           HA       SER  26  47.612 -24.252  -2.806
  164    HB2  SER  26           HB2      SER  26  47.293 -21.950  -0.874
  165    HB3  SER  26           HB1      SER  26  47.265 -23.642  -0.382
  166    HG   SER  26           HG       SER  26  49.357 -22.327  -1.791
  167    H    SER  27           HN       SER  27  45.272 -21.620  -2.253
  168    HA   SER  27           HA       SER  27  43.135 -23.638  -2.010
  169    HB2  SER  27           HB2      SER  27  42.609 -20.757  -1.496
  170    HB3  SER  27           HB1      SER  27  41.987 -22.181  -0.668
  171    HG   SER  27           HG       SER  27  44.271 -22.430   0.048
  172    H    GLY  28           HN       GLY  28  44.336 -22.893  -4.564
  173    HA2  GLY  28           HA2      GLY  28  41.879 -21.971  -5.904
  174    HA3  GLY  28           HA1      GLY  28  43.413 -21.201  -6.297
  175    H    ALA  29           HN       ALA  29  43.748 -24.471  -5.487
  176    HA   ALA  29           HA       ALA  29  43.928 -25.212  -8.346
  177    HB1  ALA  29           HB1      ALA  29  45.628 -25.848  -5.975
  178    HB2  ALA  29           HB2      ALA  29  46.106 -25.452  -7.626
  179    HB3  ALA  29           HB3      ALA  29  45.478 -27.057  -7.250
  180    H    LEU  30           HN       LEU  30  42.437 -25.870  -5.336
  181    HA   LEU  30           HA       LEU  30  41.172 -28.278  -6.493
  182    HB2  LEU  30           HB2      LEU  30  41.048 -29.062  -4.034
  183    HB3  LEU  30           HB1      LEU  30  42.589 -29.213  -4.879
  184    HG   LEU  30           HG       LEU  30  42.136 -26.621  -3.516
  185   HD11  LEU  30          HD11      LEU  30  42.630 -29.186  -1.969
  186   HD12  LEU  30          HD12      LEU  30  41.182 -28.185  -1.865
  187   HD13  LEU  30          HD13      LEU  30  42.731 -27.556  -1.303
  188   HD21  LEU  30          HD21      LEU  30  44.439 -28.600  -3.568
  189   HD22  LEU  30          HD22      LEU  30  44.511 -26.946  -2.963
  190   HD23  LEU  30          HD23      LEU  30  44.241 -27.245  -4.679
  191    H    ILE  31           HN       ILE  31  40.826 -25.247  -4.944
  192    HA   ILE  31           HA       ILE  31  38.183 -25.739  -3.891
  193    HB   ILE  31           HB       ILE  31  39.400 -23.022  -4.354
  194   HG12  ILE  31          HG12      ILE  31  41.135 -24.271  -3.236
  195   HG13  ILE  31          HG11      ILE  31  40.316 -23.308  -2.006
  196   HG21  ILE  31          HG21      ILE  31  36.962 -23.804  -3.378
  197   HG22  ILE  31          HG22      ILE  31  37.762 -22.288  -2.967
  198   HG23  ILE  31          HG23      ILE  31  37.912 -23.682  -1.898
  199   HD11  ILE  31          HD11      ILE  31  38.838 -25.375  -1.608
  200   HD12  ILE  31          HD12      ILE  31  40.508 -25.476  -1.052
  201   HD13  ILE  31          HD13      ILE  31  40.030 -26.265  -2.554
  202    HA   PRO  32           HA       PRO  32  37.182 -23.060  -7.880
  203    HB2  PRO  32           HB2      PRO  32  38.945 -24.474  -9.795
  204    HB3  PRO  32           HB1      PRO  32  38.598 -22.742  -9.648
  205    HG2  PRO  32           HG2      PRO  32  40.950 -23.787  -8.922
  206    HG3  PRO  32           HG1      PRO  32  40.223 -22.411  -8.074
  207    HD2  PRO  32           HD2      PRO  32  40.370 -25.280  -7.233
  208    HD3  PRO  32           HD1      PRO  32  40.464 -23.808  -6.244
  209    H    ALA  33           HN       ALA  33  38.086 -26.454  -7.818
  210    HA   ALA  33           HA       ALA  33  36.425 -27.491  -9.798
  211    HB1  ALA  33           HB1      ALA  33  36.612 -29.602  -8.667
  212    HB2  ALA  33           HB2      ALA  33  36.982 -28.810  -7.135
  213    HB3  ALA  33           HB3      ALA  33  38.145 -28.756  -8.459
  214    H    ILE  34           HN       ILE  34  35.657 -27.698  -6.322
  215    HA   ILE  34           HA       ILE  34  32.981 -28.311  -6.550
  216    HB   ILE  34           HB       ILE  34  34.586 -26.870  -4.471
  217   HG12  ILE  34          HG12      ILE  34  34.324 -29.463  -4.956
  218   HG13  ILE  34          HG11      ILE  34  34.378 -28.864  -3.299
  219   HG21  ILE  34          HG21      ILE  34  31.577 -27.064  -4.615
  220   HG22  ILE  34          HG22      ILE  34  32.572 -25.668  -4.199
  221   HG23  ILE  34          HG23      ILE  34  32.413 -27.005  -3.063
  222   HD11  ILE  34          HD11      ILE  34  32.485 -30.521  -3.921
  223   HD12  ILE  34          HD12      ILE  34  31.752 -29.156  -4.759
  224   HD13  ILE  34          HD13      ILE  34  32.041 -29.072  -3.022
  225    H    TYR  35           HN       TYR  35  34.482 -25.097  -6.522
  226    HA   TYR  35           HA       TYR  35  32.143 -23.554  -6.541
  227    HB2  TYR  35           HB2      TYR  35  34.977 -23.143  -7.075
  228    HB3  TYR  35           HB1      TYR  35  33.954 -22.147  -8.112
  229    HD1  TYR  35           HD1      TYR  35  34.759 -23.003  -4.594
  230    HD2  TYR  35           HD2      TYR  35  32.618 -20.359  -7.218
  231    HE1  TYR  35           HE1      TYR  35  34.300 -21.483  -2.689
  232    HE2  TYR  35           HE2      TYR  35  32.159 -18.840  -5.312
  233    HH   TYR  35           HH       TYR  35  32.439 -19.707  -2.163
  234    H    MET  36           HN       MET  36  34.196 -24.358  -9.354
  235    HA   MET  36           HA       MET  36  32.447 -23.453 -11.328
  236    HB2  MET  36           HB2      MET  36  34.761 -25.293 -11.220
  237    HB3  MET  36           HB1      MET  36  33.682 -25.504 -12.599
  238    HG2  MET  36           HG2      MET  36  35.567 -23.836 -12.952
  239    HG3  MET  36           HG1      MET  36  33.948 -23.215 -13.268
  240    HE1  MET  36           HE1      MET  36  32.912 -21.355 -12.276
  241    HE2  MET  36           HE2      MET  36  34.384 -20.725 -13.014
  242    HE3  MET  36           HE3      MET  36  33.865 -20.119 -11.444
  243    H    LEU  37           HN       LEU  37  32.913 -26.828 -10.255
  244    HA   LEU  37           HA       LEU  37  30.943 -28.072 -11.701
  245    HB2  LEU  37           HB2      LEU  37  32.575 -29.113 -10.040
  246    HB3  LEU  37           HB1      LEU  37  31.416 -28.681  -8.783
  247    HG   LEU  37           HG       LEU  37  29.740 -29.862 -10.540
  248   HD11  LEU  37          HD11      LEU  37  31.612 -30.384 -12.094
  249   HD12  LEU  37          HD12      LEU  37  30.824 -31.843 -11.492
  250   HD13  LEU  37          HD13      LEU  37  32.375 -31.338 -10.823
  251   HD21  LEU  37          HD21      LEU  37  31.437 -31.002  -8.324
  252   HD22  LEU  37          HD22      LEU  37  30.271 -32.018  -9.170
  253   HD23  LEU  37          HD23      LEU  37  29.723 -30.586  -8.299
  254    H    VAL  38           HN       VAL  38  30.587 -26.033  -8.867
  255    HA   VAL  38           HA       VAL  38  27.706 -26.555  -8.744
  256    HB   VAL  38           HB       VAL  38  29.550 -24.897  -7.012
  257   HG11  VAL  38          HG11      VAL  38  27.334 -25.050  -5.546
  258   HG12  VAL  38          HG12      VAL  38  26.571 -25.155  -7.132
  259   HG13  VAL  38          HG13      VAL  38  27.557 -23.753  -6.719
  260   HG21  VAL  38          HG21      VAL  38  29.604 -27.458  -6.925
  261   HG22  VAL  38          HG22      VAL  38  27.951 -27.370  -6.316
  262   HG23  VAL  38          HG23      VAL  38  29.268 -26.638  -5.400
  263    H    PHE  39           HN       PHE  39  29.864 -24.424 -10.246
  264    HA   PHE  39           HA       PHE  39  28.132 -22.107 -10.263
  265    HB2  PHE  39           HB2      PHE  39  30.707 -22.140 -10.458
  266    HB3  PHE  39           HB1      PHE  39  30.433 -22.572 -12.146
  267    HD1  PHE  39           HD1      PHE  39  29.391 -20.068  -9.560
  268    HD2  PHE  39           HD2      PHE  39  30.026 -20.890 -13.729
  269    HE1  PHE  39           HE1      PHE  39  28.944 -17.689 -10.097
  270    HE2  PHE  39           HE2      PHE  39  29.578 -18.510 -14.265
  271    HZ   PHE  39           HZ       PHE  39  29.037 -16.911 -12.450
  272    H    LEU  40           HN       LEU  40  29.188 -24.516 -12.673
  273    HA   LEU  40           HA       LEU  40  27.334 -23.533 -14.654
  274    HB2  LEU  40           HB2      LEU  40  28.060 -25.666 -15.867
  275    HB3  LEU  40           HB1      LEU  40  29.316 -24.473 -15.540
  276    HG   LEU  40           HG       LEU  40  28.997 -26.326 -13.312
  277   HD11  LEU  40          HD11      LEU  40  28.318 -27.876 -15.116
  278   HD12  LEU  40          HD12      LEU  40  29.898 -28.309 -14.463
  279   HD13  LEU  40          HD13      LEU  40  29.783 -27.470 -16.011
  280   HD21  LEU  40          HD21      LEU  40  31.355 -25.864 -15.159
  281   HD22  LEU  40          HD22      LEU  40  31.396 -26.412 -13.484
  282   HD23  LEU  40          HD23      LEU  40  30.924 -24.755 -13.858
  283    H    LEU  41           HN       LEU  41  26.905 -25.282 -11.893
  284    HA   LEU  41           HA       LEU  41  24.515 -26.643 -12.991
  285    HB2  LEU  41           HB2      LEU  41  26.300 -27.605 -10.742
  286    HB3  LEU  41           HB1      LEU  41  24.828 -28.399 -11.294
  287    HG   LEU  41           HG       LEU  41  27.278 -27.892 -13.011
  288   HD11  LEU  41          HD11      LEU  41  28.109 -29.828 -12.228
  289   HD12  LEU  41          HD12      LEU  41  26.605 -30.663 -12.614
  290   HD13  LEU  41          HD13      LEU  41  26.800 -29.877 -11.047
  291   HD21  LEU  41          HD21      LEU  41  25.562 -28.034 -14.566
  292   HD22  LEU  41          HD22      LEU  41  24.550 -29.023 -13.516
  293   HD23  LEU  41          HD23      LEU  41  25.919 -29.747 -14.356
  294    H    GLY  42           HN       GLY  42  25.565 -24.161 -11.136
  295    HA2  GLY  42           HA2      GLY  42  23.104 -24.203  -9.502
  296    HA3  GLY  42           HA1      GLY  42  24.649 -23.780  -8.772
  297    H    THR  43           HN       THR  43  24.566 -22.753 -11.961
  298    HA   THR  43           HA       THR  43  23.270 -20.195 -11.420
  299    HB   THR  43           HB       THR  43  26.101 -20.123 -12.421
  300    HG1  THR  43           HG1      THR  43  25.438 -19.717  -9.722
  301   HG21  THR  43          HG21      THR  43  25.910 -17.862 -12.102
  302   HG22  THR  43          HG22      THR  43  24.868 -18.045 -10.690
  303   HG23  THR  43          HG23      THR  43  24.195 -18.221 -12.312
  304    H    THR  44           HN       THR  44  23.226 -22.636 -13.286
  305    HA   THR  44           HA       THR  44  23.092 -21.084 -15.801
  306    HB   THR  44           HB       THR  44  23.868 -23.999 -15.652
  307    HG1  THR  44           HG1      THR  44  25.682 -21.936 -16.189
  308   HG21  THR  44          HG21      THR  44  24.646 -22.180 -17.868
  309   HG22  THR  44          HG22      THR  44  22.933 -22.584 -17.750
  310   HG23  THR  44          HG23      THR  44  24.132 -23.867 -17.922
  311    H    GLY  45           HN       GLY  45  22.027 -24.038 -14.128
  312    HA2  GLY  45           HA2      GLY  45  19.504 -23.941 -15.663
  313    HA3  GLY  45           HA1      GLY  45  20.162 -25.379 -14.888
  314    H    ASN  46           HN       ASN  46  20.829 -23.152 -12.693
  315    HA   ASN  46           HA       ASN  46  18.299 -23.584 -11.241
  316    HB2  ASN  46           HB2      ASN  46  21.103 -22.999 -10.274
  317    HB3  ASN  46           HB1      ASN  46  19.691 -23.037  -9.218
  318   HD21  ASN  46          HD21      ASN  46  21.584 -25.077 -11.481
  319   HD22  ASN  46          HD22      ASN  46  21.124 -26.551 -10.775
  320    H    GLY  47           HN       GLY  47  20.560 -21.140 -12.341
  321    HA2  GLY  47           HA2      GLY  47  19.247 -18.976 -10.937
  322    HA3  GLY  47           HA1      GLY  47  20.545 -18.825 -12.118
  323    H    LEU  48           HN       LEU  48  19.495 -20.066 -14.321
  324    HA   LEU  48           HA       LEU  48  17.900 -18.080 -15.482
  325    HB2  LEU  48           HB2      LEU  48  19.301 -19.734 -16.734
  326    HB3  LEU  48           HB1      LEU  48  18.111 -20.975 -16.345
  327    HG   LEU  48           HG       LEU  48  16.359 -19.613 -17.485
  328   HD11  LEU  48          HD11      LEU  48  17.549 -17.862 -19.122
  329   HD12  LEU  48          HD12      LEU  48  18.681 -17.755 -17.776
  330   HD13  LEU  48          HD13      LEU  48  16.975 -17.390 -17.523
  331   HD21  LEU  48          HD21      LEU  48  17.971 -19.719 -19.781
  332   HD22  LEU  48          HD22      LEU  48  16.930 -21.002 -19.167
  333   HD23  LEU  48          HD23      LEU  48  18.631 -20.950 -18.704
  334    H    VAL  49           HN       VAL  49  16.990 -21.300 -14.257
  335    HA   VAL  49           HA       VAL  49  14.240 -21.109 -14.824
  336    HB   VAL  49           HB       VAL  49  15.859 -22.728 -12.876
  337   HG11  VAL  49          HG11      VAL  49  13.572 -23.964 -12.579
  338   HG12  VAL  49          HG12      VAL  49  12.870 -22.414 -13.040
  339   HG13  VAL  49          HG13      VAL  49  13.895 -22.527 -11.610
  340   HG21  VAL  49          HG21      VAL  49  15.804 -23.268 -15.327
  341   HG22  VAL  49          HG22      VAL  49  14.058 -23.489 -15.198
  342   HG23  VAL  49          HG23      VAL  49  15.150 -24.558 -14.318
  343    H    LEU  50           HN       LEU  50  15.679 -20.964 -11.565
  344    HA   LEU  50           HA       LEU  50  13.547 -19.932 -10.187
  345    HB2  LEU  50           HB2      LEU  50  16.481 -19.278  -9.818
  346    HB3  LEU  50           HB1      LEU  50  15.225 -18.932  -8.631
  347    HG   LEU  50           HG       LEU  50  15.856 -21.696  -9.716
  348   HD11  LEU  50          HD11      LEU  50  16.384 -21.485  -6.937
  349   HD12  LEU  50          HD12      LEU  50  17.170 -20.107  -7.709
  350   HD13  LEU  50          HD13      LEU  50  17.547 -21.747  -8.236
  351   HD21  LEU  50          HD21      LEU  50  13.820 -20.582  -7.827
  352   HD22  LEU  50          HD22      LEU  50  14.531 -22.144  -7.429
  353   HD23  LEU  50          HD23      LEU  50  13.685 -21.926  -8.960
  354    H    TRP  51           HN       TRP  51  15.614 -18.292 -12.452
  355    HA   TRP  51           HA       TRP  51  14.764 -15.635 -11.677
  356    HB2  TRP  51           HB2      TRP  51  16.977 -15.865 -12.600
  357    HB3  TRP  51           HB1      TRP  51  16.348 -16.671 -14.037
  358    HD1  TRP  51           HD1      TRP  51  16.699 -13.257 -12.414
  359    HE1  TRP  51           HE1      TRP  51  16.063 -11.440 -14.130
  360    HE3  TRP  51           HE3      TRP  51  14.863 -16.190 -16.171
  361    HZ2  TRP  51           HZ2      TRP  51  14.929 -11.254 -16.749
  362    HZ3  TRP  51           HZ3      TRP  51  14.013 -15.168 -18.263
  363    HH2  TRP  51           HH2      TRP  51  14.043 -12.706 -18.555
  364    H    THR  52           HN       THR  52  14.197 -17.807 -14.441
  365    HA   THR  52           HA       THR  52  12.372 -16.096 -15.778
  366    HB   THR  52           HB       THR  52  13.024 -19.022 -15.929
  367    HG1  THR  52           HG1      THR  52  14.306 -18.106 -17.303
  368   HG21  THR  52          HG21      THR  52  11.396 -18.955 -17.957
  369   HG22  THR  52          HG22      THR  52  10.658 -17.591 -17.121
  370   HG23  THR  52          HG23      THR  52  10.715 -19.174 -16.345
  371    H    VAL  53           HN       VAL  53  11.924 -18.787 -13.505
  372    HA   VAL  53           HA       VAL  53   9.124 -18.898 -13.568
  373    HB   VAL  53           HB       VAL  53  11.170 -19.614 -11.482
  374   HG11  VAL  53          HG11      VAL  53   9.105 -20.776 -10.390
  375   HG12  VAL  53          HG12      VAL  53   8.165 -19.565 -11.263
  376   HG13  VAL  53          HG13      VAL  53   9.368 -19.060 -10.076
  377   HG21  VAL  53          HG21      VAL  53  10.694 -20.949 -13.645
  378   HG22  VAL  53          HG22      VAL  53   9.152 -21.365 -12.895
  379   HG23  VAL  53          HG23      VAL  53  10.666 -21.842 -12.123
  380    H    PHE  54           HN       PHE  54  11.297 -17.034 -11.457
  381    HA   PHE  54           HA       PHE  54   9.347 -15.837  -9.845
  382    HB2  PHE  54           HB2      PHE  54  12.170 -15.338 -10.516
  383    HB3  PHE  54           HB1      PHE  54  11.273 -13.902 -10.020
  384    HD1  PHE  54           HD2      PHE  54  10.934 -17.487  -8.990
  385    HD2  PHE  54           HD1      PHE  54  11.841 -13.465  -7.786
  386    HE1  PHE  54           HE2      PHE  54  11.058 -18.223  -6.624
  387    HE2  PHE  54           HE1      PHE  54  11.966 -14.201  -5.421
  388    HZ   PHE  54           HZ       PHE  54  11.574 -16.580  -4.841
  389    H    ARG  55           HN       ARG  55   9.978 -15.420 -13.158
  390    HA   ARG  55           HA       ARG  55   8.560 -12.824 -13.198
  391    HB2  ARG  55           HB2      ARG  55  10.672 -14.037 -14.922
  392    HB3  ARG  55           HB1      ARG  55   9.495 -12.966 -15.683
  393    HG2  ARG  55           HG2      ARG  55  10.208 -11.110 -14.501
  394    HG3  ARG  55           HG1      ARG  55  10.750 -12.067 -13.121
  395    HD2  ARG  55           HD2      ARG  55  12.160 -12.425 -15.736
  396    HD3  ARG  55           HD1      ARG  55  12.500 -10.977 -14.792
  397    HE   ARG  55           HE       ARG  55  13.403 -13.617 -14.200
  398   HH11  ARG  55          HH21      ARG  55  12.220 -10.688 -12.786
  399   HH12  ARG  55          HH22      ARG  55  13.029 -10.929 -11.274
  400   HH21  ARG  55          HH11      ARG  55  14.463 -13.941 -12.219
  401   HH22  ARG  55          HH12      ARG  55  14.299 -12.771 -10.952
  402    H    LYS  56           HN       LYS  56   7.873 -15.983 -13.411
  403    HA   LYS  56           HA       LYS  56   5.823 -15.572 -15.507
  404    HB2  LYS  56           HB2      LYS  56   6.275 -17.589 -16.427
  405    HB3  LYS  56           HB1      LYS  56   7.831 -17.405 -15.626
  406    HG2  LYS  56           HG2      LYS  56   6.805 -18.582 -13.608
  407    HG3  LYS  56           HG1      LYS  56   5.415 -18.950 -14.629
  408    HD2  LYS  56           HD2      LYS  56   8.187 -19.660 -15.570
  409    HD3  LYS  56           HD1      LYS  56   7.342 -20.705 -14.432
  410    HE2  LYS  56           HE2      LYS  56   5.431 -20.863 -15.986
  411    HE3  LYS  56           HE1      LYS  56   6.277 -19.821 -17.130
  412    HZ1  LYS  56           HZ1      LYS  56   6.627 -22.613 -16.607
  413    HZ2  LYS  56           HZ2      LYS  56   8.093 -21.757 -16.544
  414    HZ3  LYS  56           HZ3      LYS  56   7.127 -21.692 -17.941
  415    H    LYS  57           HN       LYS  57   6.562 -16.651 -12.283
  416    HA   LYS  57           HA       LYS  57   3.789 -17.520 -11.849
  417    HB2  LYS  57           HB2      LYS  57   5.633 -18.966 -11.030
  418    HB3  LYS  57           HB1      LYS  57   6.172 -17.651  -9.985
  419    HG2  LYS  57           HG2      LYS  57   3.350 -18.043  -9.605
  420    HG3  LYS  57           HG1      LYS  57   4.173 -19.593  -9.435
  421    HD2  LYS  57           HD2      LYS  57   5.023 -17.048  -8.024
  422    HD3  LYS  57           HD1      LYS  57   4.041 -18.314  -7.286
  423    HE2  LYS  57           HE2      LYS  57   5.883 -19.516  -6.818
  424    HE3  LYS  57           HE1      LYS  57   6.343 -19.514  -8.521
  425    HZ1  LYS  57           HZ1      LYS  57   7.914 -18.031  -8.107
  426    HZ2  LYS  57           HZ2      LYS  57   7.580 -18.169  -6.448
  427    HZ3  LYS  57           HZ3      LYS  57   6.810 -16.973  -7.376
  428    H    GLY  58           HN       GLY  58   6.137 -15.099 -10.810
  429    HA2  GLY  58           HA2      GLY  58   4.334 -13.909  -8.881
  430    HA3  GLY  58           HA1      GLY  58   5.916 -13.297  -9.354
  431    H    HIS  59           HN       HIS  59   5.258 -13.399 -12.223
  432    HA   HIS  59           HA       HIS  59   4.347 -10.773 -12.587
  433    HB2  HIS  59           HB2      HIS  59   5.152 -11.225 -14.626
  434    HB3  HIS  59           HB1      HIS  59   5.221 -12.944 -14.237
  435    HD2  HIS  59           HD2      HIS  59   3.004 -14.467 -15.171
  436    HE1  HIS  59           HE1      HIS  59   1.166 -11.309 -17.286
  437    HE2  HIS  59           HE2      HIS  59   1.130 -13.813 -16.869
  438    H    HIS  60           HN       HIS  60   2.616 -13.708 -12.072
  439    HA   HIS  60           HA       HIS  60   0.103 -12.571 -13.072
  440    HB2  HIS  60           HB2      HIS  60   1.003 -15.305 -12.238
  441    HB3  HIS  60           HB1      HIS  60  -0.717 -14.915 -12.222
  442    HD2  HIS  60           HD2      HIS  60  -1.164 -13.343 -14.965
  443    HE1  HIS  60           HE1      HIS  60   1.058 -16.391 -16.862
  444    HE2  HIS  60           HE2      HIS  60  -0.562 -14.472 -17.242
  445    H    HIS  61           HN       HIS  61   0.035 -14.773 -10.416
  446    HA   HIS  61           HA       HIS  61  -0.377 -12.661  -8.438
  447    HB2  HIS  61           HB2      HIS  61  -2.537 -14.374  -9.565
  448    HB3  HIS  61           HB1      HIS  61  -2.560 -14.070  -7.828
  449    HD2  HIS  61           HD2      HIS  61  -3.268 -12.175 -11.149
  450    HE1  HIS  61           HE1      HIS  61  -3.649  -9.382  -8.005
  451    HE2  HIS  61           HE2      HIS  61  -4.023  -9.764 -10.488
  452    H    HIS  62           HN       HIS  62  -1.228 -13.937  -6.315
  453    HA   HIS  62           HA       HIS  62   0.942 -15.708  -5.649
  454    HB2  HIS  62           HB2      HIS  62   0.212 -14.204  -3.940
  455    HB3  HIS  62           HB1      HIS  62  -1.466 -14.722  -4.111
  456    HD2  HIS  62           HD2      HIS  62   1.875 -16.012  -2.488
  457    HE1  HIS  62           HE1      HIS  62  -1.238 -18.630  -1.353
  458    HE2  HIS  62           HE2      HIS  62   1.204 -18.039  -0.983
  459    H    HIS  63           HN       HIS  63   0.901 -17.739  -6.398
  460    HA   HIS  63           HA       HIS  63   0.143 -19.833  -6.975
  461    HB2  HIS  63           HB2      HIS  63  -0.115 -19.597  -4.364
  462    HB3  HIS  63           HB1      HIS  63  -1.837 -19.667  -4.739
  463    HD2  HIS  63           HD2      HIS  63  -2.752 -22.258  -4.994
  464    HE1  HIS  63           HE1      HIS  63   0.946 -24.127  -5.809
  465    HE2  HIS  63           HE2      HIS  63  -1.533 -24.527  -5.428
  466    H    HIS  64           HN       HIS  64  -1.083 -17.751  -8.399
  467    HA   HIS  64           HA       HIS  64  -2.984 -17.175  -9.582
  468    HB2  HIS  64           HB2      HIS  64  -3.139 -20.199  -9.622
  469    HB3  HIS  64           HB1      HIS  64  -4.003 -19.123 -10.721
  470    HD2  HIS  64           HD2      HIS  64  -0.350 -20.429 -10.130
  471    HE1  HIS  64           HE1      HIS  64  -0.339 -18.059 -13.623
  472    HE2  HIS  64           HE2      HIS  64   1.044 -19.633 -12.189
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1   7.732 -16.334  18.142
    2    H2   MET   1           HT2      MET   1   8.852 -16.944  17.020
    3    H3   MET   1           HT3      MET   1   8.076 -15.460  16.731
    4    HA   MET   1           HA       MET   1   9.308 -14.329  18.298
    5    HB2  MET   1           HB2      MET   1  10.068 -17.044  19.420
    6    HB3  MET   1           HB1      MET   1  10.579 -15.484  20.067
    7    HG2  MET   1           HG2      MET   1   7.998 -14.987  20.139
    8    HG3  MET   1           HG1      MET   1   7.853 -16.744  20.099
    9    HE1  MET   1           HE1      MET   1   7.217 -17.707  22.158
   10    HE2  MET   1           HE2      MET   1   6.517 -16.113  22.431
   11    HE3  MET   1           HE3      MET   1   7.381 -16.923  23.736
   12    H    GLU   2           HN       GLU   2   9.988 -16.758  16.091
   13    HA   GLU   2           HA       GLU   2  12.871 -16.265  16.006
   14    HB2  GLU   2           HB2      GLU   2  11.350 -17.951  14.036
   15    HB3  GLU   2           HB1      GLU   2  13.022 -18.112  14.576
   16    HG2  GLU   2           HG2      GLU   2  11.753 -18.405  16.945
   17    HG3  GLU   2           HG1      GLU   2  10.517 -19.051  15.866
   18    H    GLU   3           HN       GLU   3  13.789 -15.963  13.719
   19    HA   GLU   3           HA       GLU   3  12.305 -14.725  11.677
   20    HB2  GLU   3           HB2      GLU   3  12.814 -13.019  13.915
   21    HB3  GLU   3           HB1      GLU   3  13.778 -12.454  12.550
   22    HG2  GLU   3           HG2      GLU   3  11.793 -12.406  11.125
   23    HG3  GLU   3           HG1      GLU   3  10.810 -13.065  12.431
   24    H    GLY   4           HN       GLY   4  13.920 -13.223  10.328
   25    HA2  GLY   4           HA2      GLY   4  16.117 -14.920   9.627
   26    HA3  GLY   4           HA1      GLY   4  15.742 -13.354   8.915
   27    H    GLY   5           HN       GLY   5  16.960 -11.630   9.458
   28    HA2  GLY   5           HA2      GLY   5  18.076 -10.718  11.673
   29    HA3  GLY   5           HA1      GLY   5  19.161 -12.065  11.340
   30    H    ASP   6           HN       ASP   6  18.831  -8.833  10.965
   31    HA   ASP   6           HA       ASP   6  20.786  -8.786   8.778
   32    HB2  ASP   6           HB2      ASP   6  18.490  -6.843   8.748
   33    HB3  ASP   6           HB1      ASP   6  19.610  -7.250   7.449
   34    H    PHE   7           HN       PHE   7  21.437  -8.470  11.393
   35    HA   PHE   7           HA       PHE   7  22.368  -5.717  11.435
   36    HB2  PHE   7           HB2      PHE   7  20.026  -6.248  12.779
   37    HB3  PHE   7           HB1      PHE   7  21.241  -6.455  14.041
   38    HD1  PHE   7           HD1      PHE   7  20.115  -4.111  11.358
   39    HD2  PHE   7           HD2      PHE   7  22.274  -4.582  15.041
   40    HE1  PHE   7           HE1      PHE   7  20.353  -1.649  11.534
   41    HE2  PHE   7           HE2      PHE   7  22.513  -2.120  15.216
   42    HZ   PHE   7           HZ       PHE   7  21.553  -0.653  13.462
   43    H    ASP   8           HN       ASP   8  23.346  -5.609  13.996
   44    HA   ASP   8           HA       ASP   8  25.315  -6.163  15.070
   45    HB2  ASP   8           HB2      ASP   8  23.386  -7.919  15.724
   46    HB3  ASP   8           HB1      ASP   8  24.559  -9.034  15.024
   47    H    ASN   9           HN       ASN   9  25.339  -6.313  12.102
   48    HA   ASN   9           HA       ASN   9  26.598  -8.420  10.940
   49    HB2  ASN   9           HB2      ASN   9  28.042  -6.515   9.786
   50    HB3  ASN   9           HB1      ASN   9  26.318  -6.682   9.460
   51   HD21  ASN   9          HD21      ASN   9  28.554  -4.350  10.112
   52   HD22  ASN   9          HD22      ASN   9  27.577  -3.229  10.931
   53    H    TYR  10           HN       TYR  10  28.641  -5.716  11.998
   54    HA   TYR  10           HA       TYR  10  31.052  -6.966  12.097
   55    HB2  TYR  10           HB2      TYR  10  31.782  -5.306  13.663
   56    HB3  TYR  10           HB1      TYR  10  30.572  -4.543  12.632
   57    HD1  TYR  10           HD2      TYR  10  28.252  -4.189  13.463
   58    HD2  TYR  10           HD1      TYR  10  31.376  -5.681  16.006
   59    HE1  TYR  10           HE2      TYR  10  26.881  -3.657  15.461
   60    HE2  TYR  10           HE1      TYR  10  30.006  -5.149  18.003
   61    HH   TYR  10           HH       TYR  10  28.180  -4.017  18.729
   62    H    TYR  11           HN       TYR  11  32.315  -7.969  13.752
   63    HA   TYR  11           HA       TYR  11  32.577  -9.768  15.185
   64    HB2  TYR  11           HB2      TYR  11  32.427  -7.728  16.661
   65    HB3  TYR  11           HB1      TYR  11  30.726  -8.120  16.916
   66    HD1  TYR  11           HD2      TYR  11  34.170  -9.543  17.205
   67    HD2  TYR  11           HD1      TYR  11  30.087  -9.719  18.528
   68    HE1  TYR  11           HE2      TYR  11  34.807 -11.183  18.952
   69    HE2  TYR  11           HE1      TYR  11  30.724 -11.359  20.275
   70    HH   TYR  11           HH       TYR  11  33.700 -11.835  21.350
   71    H    GLY  12           HN       GLY  12  30.587 -10.305  13.296
   72    HA2  GLY  12           HA2      GLY  12  29.180 -12.425  14.572
   73    HA3  GLY  12           HA1      GLY  12  28.090 -11.088  14.221
   74    H    ALA  13           HN       ALA  13  29.666 -10.310  11.837
   75    HA   ALA  13           HA       ALA  13  28.490 -12.263   9.990
   76    HB1  ALA  13           HB1      ALA  13  28.426  -9.543   9.970
   77    HB2  ALA  13           HB2      ALA  13  28.218 -10.544   8.532
   78    HB3  ALA  13           HB3      ALA  13  29.797  -9.849   8.904
   79    H    ASP  14           HN       ASP  14  31.547 -11.092  11.131
   80    HA   ASP  14           HA       ASP  14  32.964 -12.641   9.051
   81    HB2  ASP  14           HB2      ASP  14  34.910 -11.301   9.543
   82    HB3  ASP  14           HB1      ASP  14  33.544 -10.217   9.278
   83    H    ASN  15           HN       ASN  15  32.133 -12.533  12.369
   84    HA   ASN  15           HA       ASN  15  34.237 -13.756  13.671
   85    HB2  ASN  15           HB2      ASN  15  31.421 -13.385  14.134
   86    HB3  ASN  15           HB1      ASN  15  31.899 -15.003  14.643
   87   HD21  ASN  15          HD21      ASN  15  31.741 -11.813  15.711
   88   HD22  ASN  15          HD22      ASN  15  32.885 -11.905  16.962
   89    H    GLN  16           HN       GLN  16  32.190 -15.044  11.220
   90    HA   GLN  16           HA       GLN  16  32.861 -17.819  11.840
   91    HB2  GLN  16           HB2      GLN  16  31.242 -16.600   9.590
   92    HB3  GLN  16           HB1      GLN  16  31.452 -18.331   9.862
   93    HG2  GLN  16           HG2      GLN  16  30.432 -18.108  12.096
   94    HG3  GLN  16           HG1      GLN  16  30.225 -16.378  11.831
   95   HE21  GLN  16          HE21      GLN  16  29.790 -18.343   9.007
   96   HE22  GLN  16          HE22      GLN  16  28.093 -18.301   8.986
   97    H    SER  17           HN       SER  17  33.481 -15.402   9.315
   98    HA   SER  17           HA       SER  17  34.965 -16.976   7.553
   99    HB2  SER  17           HB2      SER  17  34.274 -14.735   6.944
  100    HB3  SER  17           HB1      SER  17  35.251 -14.042   8.236
  101    HG   SER  17           HG       SER  17  37.057 -15.164   7.124
  102    H    GLU  18           HN       GLU  18  36.046 -15.111  10.379
  103    HA   GLU  18           HA       GLU  18  38.797 -15.576  10.139
  104    HB2  GLU  18           HB2      GLU  18  37.182 -15.303  12.686
  105    HB3  GLU  18           HB1      GLU  18  38.921 -15.055  12.524
  106    HG2  GLU  18           HG2      GLU  18  38.264 -13.329  10.684
  107    HG3  GLU  18           HG1      GLU  18  36.671 -13.377  11.438
  108    H    CYS  19           HN       CYS  19  36.212 -17.625  11.281
  109    HA   CYS  19           HA       CYS  19  37.991 -19.569  12.489
  110    HB2  CYS  19           HB2      CYS  19  35.309 -18.969  12.774
  111    HB3  CYS  19           HB1      CYS  19  35.283 -20.478  11.860
  112    HG   CYS  19           HG       CYS  19  35.739 -20.421  14.737
  113    H    GLU  20           HN       GLU  20  36.274 -19.130   9.453
  114    HA   GLU  20           HA       GLU  20  37.134 -21.761   8.495
  115    HB2  GLU  20           HB2      GLU  20  35.560 -19.664   6.992
  116    HB3  GLU  20           HB1      GLU  20  35.689 -21.384   6.625
  117    HG2  GLU  20           HG2      GLU  20  34.794 -21.468   9.205
  118    HG3  GLU  20           HG1      GLU  20  34.000 -20.008   8.619
  119    H    TYR  21           HN       TYR  21  38.380 -18.682   8.670
  120    HA   TYR  21           HA       TYR  21  39.581 -18.437   6.087
  121    HB2  TYR  21           HB2      TYR  21  39.307 -16.448   7.399
  122    HB3  TYR  21           HB1      TYR  21  40.192 -17.149   8.754
  123    HD1  TYR  21           HD2      TYR  21  42.645 -17.630   8.527
  124    HD2  TYR  21           HD1      TYR  21  40.449 -15.457   5.543
  125    HE1  TYR  21           HE2      TYR  21  44.774 -16.788   7.573
  126    HE2  TYR  21           HE1      TYR  21  42.577 -14.614   4.590
  127    HH   TYR  21           HH       TYR  21  45.475 -14.722   6.187
  128    H    THR  22           HN       THR  22  40.712 -19.622   9.240
  129    HA   THR  22           HA       THR  22  43.369 -20.189   8.403
  130    HB   THR  22           HB       THR  22  43.349 -21.697  10.458
  131    HG1  THR  22           HG1      THR  22  41.465 -22.144  11.220
  132   HG21  THR  22          HG21      THR  22  43.093 -19.729  12.013
  133   HG22  THR  22          HG22      THR  22  42.504 -18.796  10.636
  134   HG23  THR  22          HG23      THR  22  44.151 -19.430  10.633
  135    H    ASP  23           HN       ASP  23  40.375 -21.749   7.851
  136    HA   ASP  23           HA       ASP  23  41.649 -24.323   7.235
  137    HB2  ASP  23           HB2      ASP  23  39.260 -23.775   8.418
  138    HB3  ASP  23           HB1      ASP  23  38.760 -23.985   6.741
  139    H    TRP  24           HN       TRP  24  39.544 -21.895   5.689
  140    HA   TRP  24           HA       TRP  24  39.296 -22.890   3.162
  141    HB2  TRP  24           HB2      TRP  24  38.234 -20.876   3.274
  142    HB3  TRP  24           HB1      TRP  24  39.484 -20.155   4.287
  143    HD1  TRP  24           HD1      TRP  24  38.815 -21.104   0.618
  144    HE1  TRP  24           HE1      TRP  24  40.271 -19.603  -0.889
  145    HE3  TRP  24           HE3      TRP  24  41.514 -18.633   4.181
  146    HZ2  TRP  24           HZ2      TRP  24  42.312 -17.616  -0.619
  147    HZ3  TRP  24           HZ3      TRP  24  43.205 -16.944   3.529
  148    HH2  TRP  24           HH2      TRP  24  43.607 -16.431   1.137
  149    H    LYS  25           HN       LYS  25  42.086 -21.082   4.428
  150    HA   LYS  25           HA       LYS  25  43.625 -20.947   2.118
  151    HB2  LYS  25           HB2      LYS  25  44.112 -19.913   4.396
  152    HB3  LYS  25           HB1      LYS  25  44.776 -21.481   4.856
  153    HG2  LYS  25           HG2      LYS  25  46.358 -21.380   2.975
  154    HG3  LYS  25           HG1      LYS  25  45.686 -19.824   2.486
  155    HD2  LYS  25           HD2      LYS  25  46.314 -18.900   4.723
  156    HD3  LYS  25           HD1      LYS  25  47.095 -20.436   5.100
  157    HE2  LYS  25           HE2      LYS  25  47.819 -18.552   2.837
  158    HE3  LYS  25           HE1      LYS  25  48.779 -18.881   4.279
  159    HZ1  LYS  25           HZ1      LYS  25  48.853 -21.235   3.573
  160    HZ2  LYS  25           HZ2      LYS  25  49.625 -20.182   2.485
  161    HZ3  LYS  25           HZ3      LYS  25  48.084 -20.800   2.125
  162    H    SER  26           HN       SER  26  43.062 -23.642   4.288
  163    HA   SER  26           HA       SER  26  45.079 -25.287   2.960
  164    HB2  SER  26           HB2      SER  26  45.111 -26.372   4.920
  165    HB3  SER  26           HB1      SER  26  43.890 -25.259   5.528
  166    HG   SER  26           HG       SER  26  43.635 -27.832   5.024
  167    H    SER  27           HN       SER  27  41.553 -25.254   3.454
  168    HA   SER  27           HA       SER  27  41.177 -27.447   1.586
  169    HB2  SER  27           HB2      SER  27  39.083 -25.690   2.879
  170    HB3  SER  27           HB1      SER  27  38.835 -27.263   2.126
  171    HG   SER  27           HG       SER  27  40.031 -26.592   4.568
  172    H    GLY  28           HN       GLY  28  42.154 -24.527   0.963
  173    HA2  GLY  28           HA2      GLY  28  40.162 -23.662  -0.974
  174    HA3  GLY  28           HA1      GLY  28  41.688 -22.861  -0.613
  175    H    ALA  29           HN       ALA  29  42.301 -26.099  -1.003
  176    HA   ALA  29           HA       ALA  29  43.243 -25.655  -3.757
  177    HB1  ALA  29           HB1      ALA  29  45.095 -26.416  -2.640
  178    HB2  ALA  29           HB2      ALA  29  44.403 -27.972  -3.097
  179    HB3  ALA  29           HB3      ALA  29  44.146 -27.335  -1.472
  180    H    LEU  30           HN       LEU  30  40.583 -26.845  -2.306
  181    HA   LEU  30           HA       LEU  30  40.117 -28.787  -4.479
  182    HB2  LEU  30           HB2      LEU  30  38.962 -30.277  -2.937
  183    HB3  LEU  30           HB1      LEU  30  40.612 -30.009  -2.373
  184    HG   LEU  30           HG       LEU  30  39.202 -27.936  -1.189
  185   HD11  LEU  30          HD11      LEU  30  37.252 -28.987  -0.140
  186   HD12  LEU  30          HD12      LEU  30  37.558 -30.482  -1.024
  187   HD13  LEU  30          HD13      LEU  30  37.080 -29.024  -1.894
  188   HD21  LEU  30          HD21      LEU  30  39.526 -29.256   0.886
  189   HD22  LEU  30          HD22      LEU  30  40.955 -29.315  -0.146
  190   HD23  LEU  30          HD23      LEU  30  39.853 -30.690  -0.089
  191    H    ILE  31           HN       ILE  31  39.224 -25.959  -3.071
  192    HA   ILE  31           HA       ILE  31  36.362 -26.245  -3.176
  193    HB   ILE  31           HB       ILE  31  38.251 -23.980  -2.662
  194   HG12  ILE  31          HG12      ILE  31  35.785 -24.880  -1.165
  195   HG13  ILE  31          HG11      ILE  31  37.357 -25.646  -0.926
  196   HG21  ILE  31          HG21      ILE  31  36.081 -22.589  -2.420
  197   HG22  ILE  31          HG22      ILE  31  35.354 -23.792  -3.484
  198   HG23  ILE  31          HG23      ILE  31  36.719 -22.827  -4.046
  199   HD11  ILE  31          HD11      ILE  31  36.470 -23.414   0.427
  200   HD12  ILE  31          HD12      ILE  31  37.460 -22.710  -0.851
  201   HD13  ILE  31          HD13      ILE  31  38.160 -23.888   0.260
  202    HA   PRO  32           HA       PRO  32  37.224 -23.665  -7.277
  203    HB2  PRO  32           HB2      PRO  32  39.426 -25.362  -8.320
  204    HB3  PRO  32           HB1      PRO  32  39.223 -23.602  -8.397
  205    HG2  PRO  32           HG2      PRO  32  41.006 -24.742  -6.772
  206    HG3  PRO  32           HG1      PRO  32  40.130 -23.269  -6.320
  207    HD2  PRO  32           HD2      PRO  32  39.695 -26.082  -5.392
  208    HD3  PRO  32           HD1      PRO  32  39.526 -24.559  -4.494
  209    H    ALA  33           HN       ALA  33  37.847 -27.138  -6.969
  210    HA   ALA  33           HA       ALA  33  36.848 -28.076  -9.373
  211    HB1  ALA  33           HB1      ALA  33  36.915 -29.207  -6.598
  212    HB2  ALA  33           HB2      ALA  33  37.789 -29.729  -8.037
  213    HB3  ALA  33           HB3      ALA  33  36.068 -30.080  -7.876
  214    H    ILE  34           HN       ILE  34  34.950 -28.072  -6.348
  215    HA   ILE  34           HA       ILE  34  32.460 -28.482  -7.548
  216    HB   ILE  34           HB       ILE  34  33.322 -27.280  -4.933
  217   HG12  ILE  34          HG12      ILE  34  31.563 -29.666  -5.561
  218   HG13  ILE  34          HG11      ILE  34  33.319 -29.780  -5.443
  219   HG21  ILE  34          HG21      ILE  34  30.574 -27.295  -6.170
  220   HG22  ILE  34          HG22      ILE  34  31.379 -26.001  -5.282
  221   HG23  ILE  34          HG23      ILE  34  30.768 -27.413  -4.421
  222   HD11  ILE  34          HD11      ILE  34  32.033 -30.317  -3.306
  223   HD12  ILE  34          HD12      ILE  34  31.616 -28.605  -3.238
  224   HD13  ILE  34          HD13      ILE  34  33.305 -29.105  -3.151
  225    H    TYR  35           HN       TYR  35  34.053 -25.438  -6.623
  226    HA   TYR  35           HA       TYR  35  32.161 -23.565  -7.148
  227    HB2  TYR  35           HB2      TYR  35  34.868 -23.488  -6.791
  228    HB3  TYR  35           HB1      TYR  35  34.719 -22.941  -8.462
  229    HD1  TYR  35           HD1      TYR  35  33.797 -22.240  -4.956
  230    HD2  TYR  35           HD2      TYR  35  33.584 -20.868  -9.021
  231    HE1  TYR  35           HE1      TYR  35  33.036 -20.016  -4.167
  232    HE2  TYR  35           HE2      TYR  35  32.823 -18.645  -8.232
  233    HH   TYR  35           HH       TYR  35  31.622 -18.068  -5.249
  234    H    MET  36           HN       MET  36  34.286 -25.010  -9.628
  235    HA   MET  36           HA       MET  36  33.323 -23.739 -11.876
  236    HB2  MET  36           HB2      MET  36  34.234 -26.600 -11.519
  237    HB3  MET  36           HB1      MET  36  33.903 -25.879 -13.095
  238    HG2  MET  36           HG2      MET  36  35.587 -24.140 -11.493
  239    HG3  MET  36           HG1      MET  36  36.311 -25.739 -11.665
  240    HE1  MET  36           HE1      MET  36  35.231 -22.702 -14.903
  241    HE2  MET  36           HE2      MET  36  34.981 -22.607 -13.162
  242    HE3  MET  36           HE3      MET  36  33.934 -23.632 -14.140
  243    H    LEU  37           HN       LEU  37  32.249 -27.001 -10.912
  244    HA   LEU  37           HA       LEU  37  30.048 -27.189 -12.568
  245    HB2  LEU  37           HB2      LEU  37  31.105 -28.632 -10.356
  246    HB3  LEU  37           HB1      LEU  37  29.379 -28.411 -10.075
  247    HG   LEU  37           HG       LEU  37  28.938 -29.247 -12.388
  248   HD11  LEU  37          HD11      LEU  37  30.636 -29.410 -13.855
  249   HD12  LEU  37          HD12      LEU  37  31.429 -30.593 -12.817
  250   HD13  LEU  37          HD13      LEU  37  31.758 -28.874 -12.606
  251   HD21  LEU  37          HD21      LEU  37  30.325 -31.579 -11.600
  252   HD22  LEU  37          HD22      LEU  37  28.643 -31.175 -11.257
  253   HD23  LEU  37          HD23      LEU  37  29.907 -30.739 -10.107
  254    H    VAL  38           HN       VAL  38  30.174 -25.913  -9.248
  255    HA   VAL  38           HA       VAL  38  27.390 -25.224  -9.217
  256    HB   VAL  38           HB       VAL  38  29.725 -24.529  -7.437
  257   HG11  VAL  38          HG11      VAL  38  27.836 -23.644  -5.910
  258   HG12  VAL  38          HG12      VAL  38  26.875 -23.532  -7.383
  259   HG13  VAL  38          HG13      VAL  38  28.365 -22.600  -7.230
  260   HG21  VAL  38          HG21      VAL  38  28.658 -26.839  -7.442
  261   HG22  VAL  38          HG22      VAL  38  27.176 -26.068  -6.878
  262   HG23  VAL  38          HG23      VAL  38  28.633 -26.009  -5.886
  263    H    PHE  39           HN       PHE  39  30.044 -23.860 -10.755
  264    HA   PHE  39           HA       PHE  39  28.956 -21.135 -10.640
  265    HB2  PHE  39           HB2      PHE  39  31.342 -21.259 -10.317
  266    HB3  PHE  39           HB1      PHE  39  31.534 -22.233 -11.775
  267    HD1  PHE  39           HD2      PHE  39  29.905 -18.998 -10.774
  268    HD2  PHE  39           HD1      PHE  39  32.269 -21.105 -13.678
  269    HE1  PHE  39           HE2      PHE  39  30.089 -16.927 -12.128
  270    HE2  PHE  39           HE1      PHE  39  32.452 -19.035 -15.030
  271    HZ   PHE  39           HZ       PHE  39  31.363 -16.946 -14.256
  272    H    LEU  40           HN       LEU  40  29.482 -23.823 -12.849
  273    HA   LEU  40           HA       LEU  40  28.254 -22.265 -15.028
  274    HB2  LEU  40           HB2      LEU  40  29.101 -24.048 -16.515
  275    HB3  LEU  40           HB1      LEU  40  30.397 -23.290 -15.591
  276    HG   LEU  40           HG       LEU  40  29.610 -25.323 -13.911
  277   HD11  LEU  40          HD11      LEU  40  29.695 -26.522 -16.682
  278   HD12  LEU  40          HD12      LEU  40  28.171 -26.113 -15.895
  279   HD13  LEU  40          HD13      LEU  40  29.247 -27.306 -15.168
  280   HD21  LEU  40          HD21      LEU  40  31.744 -25.208 -16.055
  281   HD22  LEU  40          HD22      LEU  40  31.675 -26.487 -14.843
  282   HD23  LEU  40          HD23      LEU  40  31.914 -24.813 -14.345
  283    H    LEU  41           HN       LEU  41  27.950 -25.295 -13.206
  284    HA   LEU  41           HA       LEU  41  25.578 -26.088 -14.652
  285    HB2  LEU  41           HB2      LEU  41  27.440 -27.453 -13.182
  286    HB3  LEU  41           HB1      LEU  41  26.096 -27.348 -12.042
  287    HG   LEU  41           HG       LEU  41  25.940 -28.378 -14.884
  288   HD11  LEU  41          HD11      LEU  41  27.000 -30.051 -13.579
  289   HD12  LEU  41          HD12      LEU  41  25.298 -30.512 -13.585
  290   HD13  LEU  41          HD13      LEU  41  25.990 -29.710 -12.175
  291   HD21  LEU  41          HD21      LEU  41  23.631 -29.151 -13.748
  292   HD22  LEU  41          HD22      LEU  41  23.790 -27.600 -14.569
  293   HD23  LEU  41          HD23      LEU  41  23.906 -27.683 -12.812
  294    H    GLY  42           HN       GLY  42  26.369 -24.638 -11.537
  295    HA2  GLY  42           HA2      GLY  42  23.662 -24.624 -10.574
  296    HA3  GLY  42           HA1      GLY  42  25.027 -23.766  -9.866
  297    H    THR  43           HN       THR  43  25.867 -22.061 -11.749
  298    HA   THR  43           HA       THR  43  23.927 -20.001 -11.701
  299    HB   THR  43           HB       THR  43  26.218 -20.022 -13.641
  300    HG1  THR  43           HG1      THR  43  27.622 -19.777 -12.032
  301   HG21  THR  43          HG21      THR  43  26.036 -17.746 -13.524
  302   HG22  THR  43          HG22      THR  43  25.608 -17.767 -11.813
  303   HG23  THR  43          HG23      THR  43  24.387 -18.128 -13.032
  304    H    THR  44           HN       THR  44  23.809 -22.734 -13.444
  305    HA   THR  44           HA       THR  44  22.497 -21.433 -15.760
  306    HB   THR  44           HB       THR  44  23.929 -24.094 -15.598
  307    HG1  THR  44           HG1      THR  44  24.453 -21.570 -16.696
  308   HG21  THR  44          HG21      THR  44  23.417 -23.940 -18.163
  309   HG22  THR  44          HG22      THR  44  22.104 -22.878 -17.651
  310   HG23  THR  44          HG23      THR  44  22.171 -24.542 -17.069
  311    H    GLY  45           HN       GLY  45  22.331 -23.939 -13.303
  312    HA2  GLY  45           HA2      GLY  45  19.667 -24.765 -14.220
  313    HA3  GLY  45           HA1      GLY  45  20.633 -25.563 -12.982
  314    H    ASN  46           HN       ASN  46  21.206 -22.805 -11.823
  315    HA   ASN  46           HA       ASN  46  18.786 -22.692 -10.169
  316    HB2  ASN  46           HB2      ASN  46  21.503 -21.415  -9.776
  317    HB3  ASN  46           HB1      ASN  46  20.167 -21.357  -8.629
  318   HD21  ASN  46          HD21      ASN  46  21.297 -24.142 -10.606
  319   HD22  ASN  46          HD22      ASN  46  21.634 -25.137  -9.273
  320    H    GLY  47           HN       GLY  47  21.009 -20.440 -11.823
  321    HA2  GLY  47           HA2      GLY  47  19.514 -18.106 -11.479
  322    HA3  GLY  47           HA1      GLY  47  20.638 -18.391 -12.804
  323    H    LEU  48           HN       LEU  48  19.462 -20.446 -14.167
  324    HA   LEU  48           HA       LEU  48  17.554 -19.162 -15.760
  325    HB2  LEU  48           HB2      LEU  48  18.941 -21.112 -16.470
  326    HB3  LEU  48           HB1      LEU  48  17.956 -22.147 -15.439
  327    HG   LEU  48           HG       LEU  48  15.934 -21.471 -16.726
  328   HD11  LEU  48          HD11      LEU  48  16.276 -19.412 -17.712
  329   HD12  LEU  48          HD12      LEU  48  16.689 -20.448 -19.078
  330   HD13  LEU  48          HD13      LEU  48  17.966 -19.749 -18.084
  331   HD21  LEU  48          HD21      LEU  48  18.113 -23.116 -17.590
  332   HD22  LEU  48          HD22      LEU  48  17.388 -22.364 -19.010
  333   HD23  LEU  48          HD23      LEU  48  16.393 -23.323 -17.917
  334    H    VAL  49           HN       VAL  49  17.102 -21.679 -13.276
  335    HA   VAL  49           HA       VAL  49  14.301 -21.834 -13.450
  336    HB   VAL  49           HB       VAL  49  16.289 -22.469 -11.286
  337   HG11  VAL  49          HG11      VAL  49  13.285 -22.365 -11.112
  338   HG12  VAL  49          HG12      VAL  49  14.482 -21.848  -9.924
  339   HG13  VAL  49          HG13      VAL  49  14.185 -23.566 -10.187
  340   HG21  VAL  49          HG21      VAL  49  15.984 -23.949 -13.293
  341   HG22  VAL  49          HG22      VAL  49  14.299 -24.168 -12.823
  342   HG23  VAL  49          HG23      VAL  49  15.590 -24.749 -11.771
  343    H    LEU  50           HN       LEU  50  16.101 -20.328 -10.763
  344    HA   LEU  50           HA       LEU  50  14.057 -18.926  -9.598
  345    HB2  LEU  50           HB2      LEU  50  16.902 -17.954  -9.966
  346    HB3  LEU  50           HB1      LEU  50  15.761 -17.359  -8.761
  347    HG   LEU  50           HG       LEU  50  16.715 -20.231  -8.980
  348   HD11  LEU  50          HD11      LEU  50  18.548 -19.492  -7.897
  349   HD12  LEU  50          HD12      LEU  50  17.499 -19.114  -6.531
  350   HD13  LEU  50          HD13      LEU  50  17.867 -17.874  -7.728
  351   HD21  LEU  50          HD21      LEU  50  14.669 -20.426  -7.904
  352   HD22  LEU  50          HD22      LEU  50  14.736 -18.792  -7.247
  353   HD23  LEU  50          HD23      LEU  50  15.704 -20.074  -6.522
  354    H    TRP  51           HN       TRP  51  15.715 -18.205 -12.583
  355    HA   TRP  51           HA       TRP  51  14.696 -15.517 -12.811
  356    HB2  TRP  51           HB2      TRP  51  16.767 -16.047 -13.929
  357    HB3  TRP  51           HB1      TRP  51  16.006 -17.373 -14.808
  358    HD1  TRP  51           HD1      TRP  51  16.289 -13.589 -14.728
  359    HE1  TRP  51           HE1      TRP  51  15.247 -12.619 -16.877
  360    HE3  TRP  51           HE3      TRP  51  14.181 -17.814 -16.671
  361    HZ2  TRP  51           HZ2      TRP  51  13.720 -13.517 -19.123
  362    HZ3  TRP  51           HZ3      TRP  51  12.939 -17.728 -18.814
  363    HH2  TRP  51           HH2      TRP  51  12.707 -15.586 -20.042
  364    H    THR  52           HN       THR  52  13.956 -18.640 -14.357
  365    HA   THR  52           HA       THR  52  11.826 -17.712 -15.957
  366    HB   THR  52           HB       THR  52  12.642 -20.406 -14.910
  367    HG1  THR  52           HG1      THR  52  12.964 -20.731 -17.109
  368   HG21  THR  52          HG21      THR  52  10.314 -20.717 -14.869
  369   HG22  THR  52          HG22      THR  52  10.753 -21.230 -16.499
  370   HG23  THR  52          HG23      THR  52  10.052 -19.633 -16.236
  371    H    VAL  53           HN       VAL  53  11.846 -19.232 -12.738
  372    HA   VAL  53           HA       VAL  53   9.073 -19.265 -12.320
  373    HB   VAL  53           HB       VAL  53  11.346 -19.000 -10.339
  374   HG11  VAL  53          HG11      VAL  53   8.404 -19.040 -10.021
  375   HG12  VAL  53          HG12      VAL  53   9.649 -18.451  -8.918
  376   HG13  VAL  53          HG13      VAL  53   9.281 -20.175  -8.994
  377   HG21  VAL  53          HG21      VAL  53   9.704 -21.353 -11.329
  378   HG22  VAL  53          HG22      VAL  53  10.882 -21.434 -10.019
  379   HG23  VAL  53          HG23      VAL  53  11.411 -21.059 -11.660
  380    H    PHE  54           HN       PHE  54  11.471 -16.844 -11.249
  381    HA   PHE  54           HA       PHE  54   9.767 -15.035 -10.041
  382    HB2  PHE  54           HB2      PHE  54  12.385 -14.822 -11.439
  383    HB3  PHE  54           HB1      PHE  54  11.511 -13.323 -11.132
  384    HD1  PHE  54           HD2      PHE  54  11.677 -16.491  -9.145
  385    HD2  PHE  54           HD1      PHE  54  12.565 -12.291  -9.304
  386    HE1  PHE  54           HE2      PHE  54  12.397 -16.553  -6.772
  387    HE2  PHE  54           HE1      PHE  54  13.285 -12.353  -6.932
  388    HZ   PHE  54           HZ       PHE  54  13.201 -14.484  -5.666
  389    H    ARG  55           HN       ARG  55   9.739 -16.022 -13.263
  390    HA   ARG  55           HA       ARG  55   8.348 -13.570 -14.144
  391    HB2  ARG  55           HB2      ARG  55  10.045 -15.584 -15.518
  392    HB3  ARG  55           HB1      ARG  55   8.689 -14.926 -16.435
  393    HG2  ARG  55           HG2      ARG  55   9.495 -12.719 -16.284
  394    HG3  ARG  55           HG1      ARG  55  10.549 -13.100 -14.921
  395    HD2  ARG  55           HD2      ARG  55  11.468 -12.884 -17.444
  396    HD3  ARG  55           HD1      ARG  55  12.196 -13.961 -16.257
  397    HE   ARG  55           HE       ARG  55  11.311 -15.783 -17.421
  398   HH11  ARG  55          HH21      ARG  55  10.005 -12.778 -18.535
  399   HH12  ARG  55          HH22      ARG  55   9.240 -13.469 -19.927
  400   HH21  ARG  55          HH11      ARG  55  10.310 -16.695 -19.244
  401   HH22  ARG  55          HH12      ARG  55   9.412 -15.687 -20.329
  402    H    LYS  56           HN       LYS  56   7.908 -16.865 -13.321
  403    HA   LYS  56           HA       LYS  56   5.334 -16.993 -14.742
  404    HB2  LYS  56           HB2      LYS  56   5.597 -19.241 -14.848
  405    HB3  LYS  56           HB1      LYS  56   7.289 -18.879 -14.522
  406    HG2  LYS  56           HG2      LYS  56   6.741 -19.083 -12.043
  407    HG3  LYS  56           HG1      LYS  56   5.168 -19.726 -12.528
  408    HD2  LYS  56           HD2      LYS  56   6.208 -21.565 -13.702
  409    HD3  LYS  56           HD1      LYS  56   7.814 -20.885 -13.440
  410    HE2  LYS  56           HE2      LYS  56   7.403 -21.077 -10.959
  411    HE3  LYS  56           HE1      LYS  56   5.919 -21.953 -11.332
  412    HZ1  LYS  56           HZ1      LYS  56   8.606 -22.759 -12.298
  413    HZ2  LYS  56           HZ2      LYS  56   7.159 -23.639 -12.437
  414    HZ3  LYS  56           HZ3      LYS  56   7.868 -23.399 -10.912
  415    H    LYS  57           HN       LYS  57   6.749 -16.697 -11.597
  416    HA   LYS  57           HA       LYS  57   4.122 -17.068 -10.311
  417    HB2  LYS  57           HB2      LYS  57   5.662 -18.392  -9.154
  418    HB3  LYS  57           HB1      LYS  57   6.957 -17.208  -9.326
  419    HG2  LYS  57           HG2      LYS  57   6.062 -15.803  -7.658
  420    HG3  LYS  57           HG1      LYS  57   4.468 -16.554  -7.756
  421    HD2  LYS  57           HD2      LYS  57   5.365 -18.629  -6.799
  422    HD3  LYS  57           HD1      LYS  57   6.978 -17.917  -6.737
  423    HE2  LYS  57           HE2      LYS  57   6.507 -16.972  -4.753
  424    HE3  LYS  57           HE1      LYS  57   5.136 -16.122  -5.468
  425    HZ1  LYS  57           HZ1      LYS  57   4.066 -17.405  -3.945
  426    HZ2  LYS  57           HZ2      LYS  57   5.202 -18.665  -4.022
  427    HZ3  LYS  57           HZ3      LYS  57   4.050 -18.481  -5.256
  428    H    GLY  58           HN       GLY  58   6.577 -14.741 -11.084
  429    HA2  GLY  58           HA2      GLY  58   5.665 -12.723  -9.233
  430    HA3  GLY  58           HA1      GLY  58   6.842 -12.506 -10.526
  431    H    HIS  59           HN       HIS  59   4.993 -13.663 -12.532
  432    HA   HIS  59           HA       HIS  59   3.822 -11.288 -13.472
  433    HB2  HIS  59           HB2      HIS  59   4.329 -13.738 -14.555
  434    HB3  HIS  59           HB1      HIS  59   2.575 -13.799 -14.383
  435    HD2  HIS  59           HD2      HIS  59   5.255 -11.988 -16.551
  436    HE1  HIS  59           HE1      HIS  59   1.482 -10.462 -17.674
  437    HE2  HIS  59           HE2      HIS  59   3.952 -10.508 -18.263
  438    H    HIS  60           HN       HIS  60   2.834 -13.339 -10.991
  439    HA   HIS  60           HA       HIS  60   0.194 -12.047 -10.932
  440    HB2  HIS  60           HB2      HIS  60   0.034 -14.368 -11.956
  441    HB3  HIS  60           HB1      HIS  60   0.527 -14.997 -10.384
  442    HD2  HIS  60           HD2      HIS  60  -1.568 -12.130  -9.382
  443    HE1  HIS  60           HE1      HIS  60  -4.386 -15.203 -10.044
  444    HE2  HIS  60           HE2      HIS  60  -4.032 -12.910  -9.011
  445    H    HIS  61           HN       HIS  61   2.818 -11.861  -9.460
  446    HA   HIS  61           HA       HIS  61   1.662 -11.894  -6.779
  447    HB2  HIS  61           HB2      HIS  61   2.768 -14.120  -7.088
  448    HB3  HIS  61           HB1      HIS  61   4.292 -13.274  -7.354
  449    HD2  HIS  61           HD2      HIS  61   5.169 -11.726  -5.015
  450    HE1  HIS  61           HE1      HIS  61   2.764 -13.923  -2.329
  451    HE2  HIS  61           HE2      HIS  61   4.678 -12.263  -2.507
  452    H    HIS  62           HN       HIS  62   3.002 -10.713  -5.228
  453    HA   HIS  62           HA       HIS  62   4.491  -9.063  -4.578
  454    HB2  HIS  62           HB2      HIS  62   5.930 -10.104  -6.531
  455    HB3  HIS  62           HB1      HIS  62   5.468  -8.630  -7.378
  456    HD2  HIS  62           HD2      HIS  62   6.784  -6.318  -6.505
  457    HE1  HIS  62           HE1      HIS  62   8.831  -8.077  -3.258
  458    HE2  HIS  62           HE2      HIS  62   8.580  -5.963  -4.644
  459    H    HIS  63           HN       HIS  63   5.079  -6.958  -6.821
  460    HA   HIS  63           HA       HIS  63   2.891  -5.239  -6.133
  461    HB2  HIS  63           HB2      HIS  63   3.993  -3.636  -7.674
  462    HB3  HIS  63           HB1      HIS  63   5.123  -4.317  -6.503
  463    HD2  HIS  63           HD2      HIS  63   7.408  -4.414  -8.120
  464    HE1  HIS  63           HE1      HIS  63   5.734  -6.690 -11.256
  465    HE2  HIS  63           HE2      HIS  63   7.884  -5.692 -10.347
  466    H    HIS  64           HN       HIS  64   2.007  -7.611  -7.378
  467    HA   HIS  64           HA       HIS  64   0.806  -8.433  -9.166
  468    HB2  HIS  64           HB2      HIS  64  -0.711  -6.822  -7.921
  469    HB3  HIS  64           HB1      HIS  64  -0.340  -5.639  -9.175
  470    HD2  HIS  64           HD2      HIS  64  -1.948  -9.282  -9.038
  471    HE1  HIS  64           HE1      HIS  64  -3.377  -7.258 -12.457
  472    HE2  HIS  64           HE2      HIS  64  -3.558  -9.391 -11.092
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  41.097   4.317  13.701
    2    H2   MET   1           HT2      MET   1  41.330   2.742  13.106
    3    H3   MET   1           HT3      MET   1  41.787   4.085  12.169
    4    HA   MET   1           HA       MET   1  43.816   3.924  13.003
    5    HB2  MET   1           HB2      MET   1  42.428   4.426  15.655
    6    HB3  MET   1           HB1      MET   1  44.136   4.703  15.310
    7    HG2  MET   1           HG2      MET   1  43.312   6.834  14.944
    8    HG3  MET   1           HG1      MET   1  43.138   6.162  13.323
    9    HE1  MET   1           HE1      MET   1  40.012   8.413  13.734
   10    HE2  MET   1           HE2      MET   1  41.608   8.200  13.019
   11    HE3  MET   1           HE3      MET   1  41.464   8.692  14.704
   12    H    GLU   2           HN       GLU   2  44.009   3.035  16.022
   13    HA   GLU   2           HA       GLU   2  44.230   0.172  15.372
   14    HB2  GLU   2           HB2      GLU   2  45.436   1.785  17.634
   15    HB3  GLU   2           HB1      GLU   2  45.695   0.062  17.362
   16    HG2  GLU   2           HG2      GLU   2  46.183   1.806  15.019
   17    HG3  GLU   2           HG1      GLU   2  47.316   1.999  16.355
   18    H    GLU   3           HN       GLU   3  44.122  -1.049  17.737
   19    HA   GLU   3           HA       GLU   3  42.747  -1.815  19.418
   20    HB2  GLU   3           HB2      GLU   3  42.592   0.903  19.679
   21    HB3  GLU   3           HB1      GLU   3  40.900   0.477  19.410
   22    HG2  GLU   3           HG2      GLU   3  41.246  -1.351  21.178
   23    HG3  GLU   3           HG1      GLU   3  42.748  -0.522  21.579
   24    H    GLY   4           HN       GLY   4  41.180  -3.285  19.197
   25    HA2  GLY   4           HA2      GLY   4  38.637  -2.931  18.144
   26    HA3  GLY   4           HA1      GLY   4  39.647  -3.465  16.804
   27    H    GLY   5           HN       GLY   5  38.410  -4.327  19.986
   28    HA2  GLY   5           HA2      GLY   5  38.490  -7.148  19.248
   29    HA3  GLY   5           HA1      GLY   5  39.442  -6.694  20.658
   30    H    ASP   6           HN       ASP   6  36.390  -5.206  19.723
   31    HA   ASP   6           HA       ASP   6  34.857  -6.722  21.662
   32    HB2  ASP   6           HB2      ASP   6  35.630  -3.846  22.133
   33    HB3  ASP   6           HB1      ASP   6  34.189  -4.557  22.857
   34    H    PHE   7           HN       PHE   7  34.237  -6.842  19.155
   35    HA   PHE   7           HA       PHE   7  32.661  -6.407  17.538
   36    HB2  PHE   7           HB2      PHE   7  31.343  -5.810  20.135
   37    HB3  PHE   7           HB1      PHE   7  30.521  -5.256  18.676
   38    HD1  PHE   7           HD2      PHE   7  30.111  -6.941  16.796
   39    HD2  PHE   7           HD1      PHE   7  31.301  -8.093  20.760
   40    HE1  PHE   7           HE2      PHE   7  29.321  -9.250  16.362
   41    HE2  PHE   7           HE1      PHE   7  30.512 -10.403  20.325
   42    HZ   PHE   7           HZ       PHE   7  29.521 -10.982  18.126
   43    H    ASP   8           HN       ASP   8  34.020  -4.836  16.502
   44    HA   ASP   8           HA       ASP   8  32.818  -2.166  16.527
   45    HB2  ASP   8           HB2      ASP   8  35.721  -2.747  17.095
   46    HB3  ASP   8           HB1      ASP   8  35.185  -1.190  16.466
   47    H    ASN   9           HN       ASN   9  32.451  -4.097  14.608
   48    HA   ASN   9           HA       ASN   9  32.803  -4.645  12.385
   49    HB2  ASN   9           HB2      ASN   9  31.613  -2.511  12.232
   50    HB3  ASN   9           HB1      ASN   9  33.140  -1.637  12.326
   51   HD21  ASN   9          HD21      ASN   9  31.938  -0.960  10.078
   52   HD22  ASN   9          HD22      ASN   9  32.492  -1.825   8.726
   53    H    TYR  10           HN       TYR  10  34.719  -2.006  11.508
   54    HA   TYR  10           HA       TYR  10  36.797  -3.339  10.376
   55    HB2  TYR  10           HB2      TYR  10  36.964  -0.712  11.871
   56    HB3  TYR  10           HB1      TYR  10  38.169  -1.303  10.727
   57    HD1  TYR  10           HD2      TYR  10  37.520  -1.689   8.326
   58    HD2  TYR  10           HD1      TYR  10  34.923   0.279  11.125
   59    HE1  TYR  10           HE2      TYR  10  36.181  -0.780   6.445
   60    HE2  TYR  10           HE1      TYR  10  33.585   1.188   9.244
   61    HH   TYR  10           HH       TYR  10  34.660   1.023   5.979
   62    H    TYR  11           HN       TYR  11  38.817  -4.103  10.981
   63    HA   TYR  11           HA       TYR  11  40.247  -5.283  12.350
   64    HB2  TYR  11           HB2      TYR  11  39.849  -3.208  14.468
   65    HB3  TYR  11           HB1      TYR  11  41.340  -3.964  13.907
   66    HD1  TYR  11           HD1      TYR  11  42.070  -3.453  11.463
   67    HD2  TYR  11           HD2      TYR  11  39.225  -1.096  13.653
   68    HE1  TYR  11           HE1      TYR  11  42.454  -1.554   9.916
   69    HE2  TYR  11           HE2      TYR  11  39.608   0.804  12.106
   70    HH   TYR  11           HH       TYR  11  42.193   0.795   9.791
   71    H    GLY  12           HN       GLY  12  37.580  -6.150  12.502
   72    HA2  GLY  12           HA2      GLY  12  37.636  -7.694  14.874
   73    HA3  GLY  12           HA1      GLY  12  36.483  -6.377  15.060
   74    H    ALA  13           HN       ALA  13  35.920  -6.397  12.137
   75    HA   ALA  13           HA       ALA  13  33.920  -8.530  12.197
   76    HB1  ALA  13           HB1      ALA  13  32.758  -6.767  11.380
   77    HB2  ALA  13           HB2      ALA  13  33.515  -7.193   9.846
   78    HB3  ALA  13           HB3      ALA  13  34.217  -5.926  10.854
   79    H    ASP  14           HN       ASP  14  36.868  -7.641  10.575
   80    HA   ASP  14           HA       ASP  14  36.578  -9.933   8.732
   81    HB2  ASP  14           HB2      ASP  14  38.408  -7.527   8.585
   82    HB3  ASP  14           HB1      ASP  14  38.377  -8.851   7.422
   83    H    ASN  15           HN       ASN  15  38.220  -8.776  11.492
   84    HA   ASN  15           HA       ASN  15  40.733  -9.915  11.363
   85    HB2  ASN  15           HB2      ASN  15  38.999  -8.923  13.410
   86    HB3  ASN  15           HB1      ASN  15  39.723 -10.431  13.967
   87   HD21  ASN  15          HD21      ASN  15  40.422  -7.102  13.030
   88   HD22  ASN  15          HD22      ASN  15  42.052  -7.124  13.504
   89    H    GLN  16           HN       GLN  16  37.701 -11.486  11.326
   90    HA   GLN  16           HA       GLN  16  38.652 -14.019  12.367
   91    HB2  GLN  16           HB2      GLN  16  36.455 -14.791  12.086
   92    HB3  GLN  16           HB1      GLN  16  36.237 -13.080  12.459
   93    HG2  GLN  16           HG2      GLN  16  36.341 -12.738   9.883
   94    HG3  GLN  16           HG1      GLN  16  36.016 -14.468   9.795
   95   HE21  GLN  16          HE21      GLN  16  33.831 -14.349   9.050
   96   HE22  GLN  16          HE22      GLN  16  32.585 -13.645   9.963
   97    H    SER  17           HN       SER  17  38.249 -12.469   9.258
   98    HA   SER  17           HA       SER  17  38.584 -14.892   7.726
   99    HB2  SER  17           HB2      SER  17  38.487 -13.487   5.805
  100    HB3  SER  17           HB1      SER  17  37.343 -12.806   6.960
  101    HG   SER  17           HG       SER  17  38.510 -11.068   6.988
  102    H    GLU  18           HN       GLU  18  40.616 -12.141   8.662
  103    HA   GLU  18           HA       GLU  18  42.889 -12.525   7.208
  104    HB2  GLU  18           HB2      GLU  18  42.742 -11.936  10.175
  105    HB3  GLU  18           HB1      GLU  18  44.152 -11.663   9.151
  106    HG2  GLU  18           HG2      GLU  18  41.576 -10.497   8.221
  107    HG3  GLU  18           HG1      GLU  18  42.329  -9.743   9.625
  108    H    CYS  19           HN       CYS  19  41.826 -14.413  10.004
  109    HA   CYS  19           HA       CYS  19  44.159 -15.973  10.312
  110    HB2  CYS  19           HB2      CYS  19  41.880 -15.733  11.728
  111    HB3  CYS  19           HB1      CYS  19  41.536 -17.241  10.879
  112    HG   CYS  19           HG       CYS  19  43.454 -16.971  13.176
  113    H    GLU  20           HN       GLU  20  41.394 -16.240   8.170
  114    HA   GLU  20           HA       GLU  20  42.276 -18.852   7.190
  115    HB2  GLU  20           HB2      GLU  20  39.934 -17.142   6.319
  116    HB3  GLU  20           HB1      GLU  20  40.230 -18.821   5.864
  117    HG2  GLU  20           HG2      GLU  20  39.846 -17.857   8.712
  118    HG3  GLU  20           HG1      GLU  20  38.585 -18.602   7.731
  119    H    TYR  21           HN       TYR  21  42.438 -15.492   6.367
  120    HA   TYR  21           HA       TYR  21  42.765 -15.544   3.611
  121    HB2  TYR  21           HB2      TYR  21  42.666 -13.441   4.782
  122    HB3  TYR  21           HB1      TYR  21  44.128 -13.821   5.691
  123    HD1  TYR  21           HD1      TYR  21  46.327 -14.018   4.491
  124    HD2  TYR  21           HD2      TYR  21  42.776 -12.567   2.558
  125    HE1  TYR  21           HE1      TYR  21  47.711 -13.048   2.676
  126    HE2  TYR  21           HE2      TYR  21  44.160 -11.597   0.743
  127    HH   TYR  21           HH       TYR  21  47.715 -11.913   0.776
  128    H    THR  22           HN       THR  22  45.104 -16.269   6.163
  129    HA   THR  22           HA       THR  22  47.361 -16.529   4.447
  130    HB   THR  22           HB       THR  22  48.353 -17.762   6.395
  131    HG1  THR  22           HG1      THR  22  47.033 -18.542   7.803
  132   HG21  THR  22          HG21      THR  22  48.181 -15.799   7.961
  133   HG22  THR  22          HG22      THR  22  46.937 -15.133   6.902
  134   HG23  THR  22          HG23      THR  22  48.581 -15.358   6.301
  135    H    ASP  23           HN       ASP  23  44.654 -18.533   5.089
  136    HA   ASP  23           HA       ASP  23  46.015 -20.954   4.146
  137    HB2  ASP  23           HB2      ASP  23  43.815 -20.426   5.890
  138    HB3  ASP  23           HB1      ASP  23  43.230 -21.386   4.532
  139    H    TRP  24           HN       TRP  24  43.235 -18.893   3.310
  140    HA   TRP  24           HA       TRP  24  42.267 -20.149   1.077
  141    HB2  TRP  24           HB2      TRP  24  41.045 -18.263   1.493
  142    HB3  TRP  24           HB1      TRP  24  42.464 -17.311   1.930
  143    HD1  TRP  24           HD1      TRP  24  40.640 -18.684  -1.167
  144    HE1  TRP  24           HE1      TRP  24  41.238 -17.197  -3.187
  145    HE3  TRP  24           HE3      TRP  24  44.107 -15.614   0.989
  146    HZ2  TRP  24           HZ2      TRP  24  42.959 -14.998  -3.807
  147    HZ3  TRP  24           HZ3      TRP  24  45.209 -13.835  -0.339
  148    HH2  TRP  24           HH2      TRP  24  44.639 -13.523  -2.732
  149    H    LYS  25           HN       LYS  25  44.899 -17.734   1.090
  150    HA   LYS  25           HA       LYS  25  45.546 -17.803  -1.606
  151    HB2  LYS  25           HB2      LYS  25  46.504 -16.236   0.097
  152    HB3  LYS  25           HB1      LYS  25  47.529 -17.555   0.666
  153    HG2  LYS  25           HG2      LYS  25  48.530 -17.764  -1.571
  154    HG3  LYS  25           HG1      LYS  25  47.488 -16.472  -2.167
  155    HD2  LYS  25           HD2      LYS  25  48.539 -14.849  -0.750
  156    HD3  LYS  25           HD1      LYS  25  49.398 -16.099   0.150
  157    HE2  LYS  25           HE2      LYS  25  50.971 -16.403  -1.498
  158    HE3  LYS  25           HE1      LYS  25  49.841 -16.014  -2.795
  159    HZ1  LYS  25           HZ1      LYS  25  50.712 -13.940  -0.888
  160    HZ2  LYS  25           HZ2      LYS  25  50.101 -13.756  -2.462
  161    HZ3  LYS  25           HZ3      LYS  25  51.678 -14.339  -2.223
  162    H    SER  26           HN       SER  26  46.080 -20.192   0.838
  163    HA   SER  26           HA       SER  26  48.038 -21.643  -0.782
  164    HB2  SER  26           HB2      SER  26  47.464 -21.478   1.990
  165    HB3  SER  26           HB1      SER  26  47.138 -23.135   1.492
  166    HG   SER  26           HG       SER  26  49.516 -21.661   1.436
  167    H    SER  27           HN       SER  27  44.817 -22.211   0.643
  168    HA   SER  27           HA       SER  27  44.454 -24.602  -0.974
  169    HB2  SER  27           HB2      SER  27  42.583 -23.195   0.944
  170    HB3  SER  27           HB1      SER  27  42.273 -24.749   0.175
  171    HG   SER  27           HG       SER  27  43.176 -25.020   2.244
  172    H    GLY  28           HN       GLY  28  44.495 -21.575  -1.880
  173    HA2  GLY  28           HA2      GLY  28  41.909 -21.347  -3.189
  174    HA3  GLY  28           HA1      GLY  28  43.243 -20.200  -3.294
  175    H    ALA  29           HN       ALA  29  44.399 -23.295  -3.790
  176    HA   ALA  29           HA       ALA  29  44.454 -22.862  -6.704
  177    HB1  ALA  29           HB1      ALA  29  46.124 -24.949  -5.382
  178    HB2  ALA  29           HB2      ALA  29  46.549 -23.259  -5.112
  179    HB3  ALA  29           HB3      ALA  29  46.502 -23.906  -6.752
  180    H    LEU  30           HN       LEU  30  42.624 -24.475  -4.538
  181    HA   LEU  30           HA       LEU  30  42.001 -26.603  -6.484
  182    HB2  LEU  30           HB2      LEU  30  41.681 -28.201  -4.648
  183    HB3  LEU  30           HB1      LEU  30  43.341 -27.603  -4.673
  184    HG   LEU  30           HG       LEU  30  42.052 -25.756  -3.069
  185   HD11  LEU  30          HD11      LEU  30  40.060 -27.308  -3.092
  186   HD12  LEU  30          HD12      LEU  30  40.707 -26.986  -1.484
  187   HD13  LEU  30          HD13      LEU  30  41.067 -28.513  -2.290
  188   HD21  LEU  30          HD21      LEU  30  44.262 -26.758  -2.669
  189   HD22  LEU  30          HD22      LEU  30  43.504 -28.300  -2.273
  190   HD23  LEU  30          HD23      LEU  30  43.259 -26.904  -1.225
  191    H    ILE  31           HN       ILE  31  40.944 -23.952  -4.890
  192    HA   ILE  31           HA       ILE  31  38.329 -24.848  -4.091
  193    HB   ILE  31           HB       ILE  31  39.722 -22.203  -4.228
  194   HG12  ILE  31          HG12      ILE  31  38.076 -23.493  -2.043
  195   HG13  ILE  31          HG11      ILE  31  39.792 -23.833  -2.267
  196   HG21  ILE  31          HG21      ILE  31  37.471 -21.264  -3.370
  197   HG22  ILE  31          HG22      ILE  31  36.743 -22.681  -4.126
  198   HG23  ILE  31          HG23      ILE  31  37.635 -21.515  -5.107
  199   HD11  ILE  31          HD11      ILE  31  38.800 -21.777  -0.740
  200   HD12  ILE  31          HD12      ILE  31  39.129 -20.964  -2.269
  201   HD13  ILE  31          HD13      ILE  31  40.422 -21.819  -1.430
  202    HA   PRO  32           HA       PRO  32  37.300 -22.513  -8.303
  203    HB2  PRO  32           HB2      PRO  32  39.414 -23.804  -9.944
  204    HB3  PRO  32           HB1      PRO  32  38.795 -22.144 -10.002
  205    HG2  PRO  32           HG2      PRO  32  41.195 -22.710  -8.989
  206    HG3  PRO  32           HG1      PRO  32  40.173 -21.426  -8.316
  207    HD2  PRO  32           HD2      PRO  32  40.709 -24.168  -7.240
  208    HD3  PRO  32           HD1      PRO  32  40.467 -22.640  -6.367
  209    H    ALA  33           HN       ALA  33  38.917 -25.691  -8.518
  210    HA   ALA  33           HA       ALA  33  37.375 -27.005 -10.335
  211    HB1  ALA  33           HB1      ALA  33  38.581 -27.952  -7.746
  212    HB2  ALA  33           HB2      ALA  33  39.132 -28.250  -9.394
  213    HB3  ALA  33           HB3      ALA  33  37.686 -29.057  -8.788
  214    H    ILE  34           HN       ILE  34  36.676 -27.309  -6.848
  215    HA   ILE  34           HA       ILE  34  34.159 -28.404  -7.033
  216    HB   ILE  34           HB       ILE  34  35.481 -26.635  -5.014
  217   HG12  ILE  34          HG12      ILE  34  35.665 -29.248  -5.414
  218   HG13  ILE  34          HG11      ILE  34  35.623 -28.595  -3.778
  219   HG21  ILE  34          HG21      ILE  34  33.291 -25.788  -4.769
  220   HG22  ILE  34          HG22      ILE  34  33.369 -27.091  -3.585
  221   HG23  ILE  34          HG23      ILE  34  32.550 -27.349  -5.125
  222   HD11  ILE  34          HD11      ILE  34  34.041 -30.572  -4.328
  223   HD12  ILE  34          HD12      ILE  34  33.082 -29.382  -5.207
  224   HD13  ILE  34          HD13      ILE  34  33.356 -29.190  -3.475
  225    H    TYR  35           HN       TYR  35  34.906 -24.924  -6.755
  226    HA   TYR  35           HA       TYR  35  32.430 -23.805  -6.884
  227    HB2  TYR  35           HB2      TYR  35  35.108 -22.987  -7.614
  228    HB3  TYR  35           HB1      TYR  35  33.920 -22.293  -8.718
  229    HD1  TYR  35           HD1      TYR  35  34.599 -22.815  -5.074
  230    HD2  TYR  35           HD2      TYR  35  32.641 -20.433  -8.065
  231    HE1  TYR  35           HE1      TYR  35  33.934 -21.176  -3.335
  232    HE2  TYR  35           HE2      TYR  35  31.976 -18.795  -6.325
  233    HH   TYR  35           HH       TYR  35  32.639 -19.391  -2.893
  234    H    MET  36           HN       MET  36  34.372 -24.407  -9.819
  235    HA   MET  36           HA       MET  36  32.506 -23.905 -11.749
  236    HB2  MET  36           HB2      MET  36  34.873 -25.649 -11.552
  237    HB3  MET  36           HB1      MET  36  33.724 -26.101 -12.813
  238    HG2  MET  36           HG2      MET  36  35.431 -24.479 -13.627
  239    HG3  MET  36           HG1      MET  36  33.792 -23.839 -13.733
  240    HE1  MET  36           HE1      MET  36  34.345 -21.373 -13.836
  241    HE2  MET  36           HE2      MET  36  34.115 -20.564 -12.287
  242    HE3  MET  36           HE3      MET  36  32.987 -21.820 -12.793
  243    H    LEU  37           HN       LEU  37  33.140 -27.214 -10.560
  244    HA   LEU  37           HA       LEU  37  30.951 -28.451 -11.718
  245    HB2  LEU  37           HB2      LEU  37  32.776 -29.683 -10.633
  246    HB3  LEU  37           HB1      LEU  37  32.237 -29.104  -9.057
  247    HG   LEU  37           HG       LEU  37  30.082 -30.331 -10.623
  248   HD11  LEU  37          HD11      LEU  37  31.846 -31.780 -11.447
  249   HD12  LEU  37          HD12      LEU  37  30.934 -32.661 -10.220
  250   HD13  LEU  37          HD13      LEU  37  32.506 -31.967  -9.821
  251   HD21  LEU  37          HD21      LEU  37  30.004 -29.725  -8.200
  252   HD22  LEU  37          HD22      LEU  37  31.245 -30.938  -7.886
  253   HD23  LEU  37          HD23      LEU  37  29.660 -31.432  -8.480
  254    H    VAL  38           HN       VAL  38  31.063 -26.359  -8.944
  255    HA   VAL  38           HA       VAL  38  28.261 -27.019  -8.284
  256    HB   VAL  38           HB       VAL  38  30.346 -25.504  -6.696
  257   HG11  VAL  38          HG11      VAL  38  27.416 -25.937  -6.378
  258   HG12  VAL  38          HG12      VAL  38  28.420 -24.593  -5.832
  259   HG13  VAL  38          HG13      VAL  38  28.405 -26.107  -4.928
  260   HG21  VAL  38          HG21      VAL  38  30.785 -27.918  -6.823
  261   HG22  VAL  38          HG22      VAL  38  29.118 -28.261  -6.365
  262   HG23  VAL  38          HG23      VAL  38  30.209 -27.495  -5.210
  263    H    PHE  39           HN       PHE  39  29.741 -25.050 -10.330
  264    HA   PHE  39           HA       PHE  39  28.002 -22.726  -9.745
  265    HB2  PHE  39           HB2      PHE  39  30.486 -22.309  -9.733
  266    HB3  PHE  39           HB1      PHE  39  30.499 -22.737 -11.444
  267    HD1  PHE  39           HD2      PHE  39  28.998 -20.393  -8.963
  268    HD2  PHE  39           HD1      PHE  39  29.829 -21.182 -13.103
  269    HE1  PHE  39           HE2      PHE  39  28.280 -18.091  -9.546
  270    HE2  PHE  39           HE1      PHE  39  29.111 -18.880 -13.685
  271    HZ   PHE  39           HZ       PHE  39  28.336 -17.336 -11.907
  272    H    LEU  40           HN       LEU  40  28.827 -25.202 -12.018
  273    HA   LEU  40           HA       LEU  40  27.142 -23.939 -14.082
  274    HB2  LEU  40           HB2      LEU  40  28.138 -25.590 -15.623
  275    HB3  LEU  40           HB1      LEU  40  29.369 -24.601 -14.841
  276    HG   LEU  40           HG       LEU  40  29.087 -26.695 -13.065
  277   HD11  LEU  40          HD11      LEU  40  29.179 -28.745 -14.435
  278   HD12  LEU  40          HD12      LEU  40  28.915 -27.789 -15.892
  279   HD13  LEU  40          HD13      LEU  40  27.647 -27.905 -14.672
  280   HD21  LEU  40          HD21      LEU  40  31.200 -25.685 -13.878
  281   HD22  LEU  40          HD22      LEU  40  30.984 -26.494 -15.429
  282   HD23  LEU  40          HD23      LEU  40  31.260 -27.445 -13.970
  283    H    LEU  41           HN       LEU  41  26.796 -25.964 -11.549
  284    HA   LEU  41           HA       LEU  41  24.970 -27.815 -12.931
  285    HB2  LEU  41           HB2      LEU  41  26.673 -27.984 -10.569
  286    HB3  LEU  41           HB1      LEU  41  25.035 -28.555 -10.263
  287    HG   LEU  41           HG       LEU  41  26.709 -29.445 -12.629
  288   HD11  LEU  41          HD11      LEU  41  26.326 -31.575 -10.827
  289   HD12  LEU  41          HD12      LEU  41  26.841 -30.208  -9.838
  290   HD13  LEU  41          HD13      LEU  41  27.842 -30.749 -11.186
  291   HD21  LEU  41          HD21      LEU  41  24.814 -30.461 -13.309
  292   HD22  LEU  41          HD22      LEU  41  23.945 -29.691 -11.982
  293   HD23  LEU  41          HD23      LEU  41  24.673 -31.281 -11.755
  294    H    GLY  42           HN       GLY  42  24.989 -26.061  -9.810
  295    HA2  GLY  42           HA2      GLY  42  22.059 -25.866  -9.991
  296    HA3  GLY  42           HA1      GLY  42  23.012 -25.680  -8.526
  297    H    THR  43           HN       THR  43  24.433 -24.028 -11.116
  298    HA   THR  43           HA       THR  43  23.006 -21.527 -10.454
  299    HB   THR  43           HB       THR  43  25.838 -21.099 -10.958
  300    HG1  THR  43           HG1      THR  43  25.198 -22.400  -8.543
  301   HG21  THR  43          HG21      THR  43  24.152 -20.489  -8.522
  302   HG22  THR  43          HG22      THR  43  24.120 -19.512  -9.989
  303   HG23  THR  43          HG23      THR  43  25.609 -19.651  -9.055
  304    H    THR  44           HN       THR  44  22.854 -23.359 -12.744
  305    HA   THR  44           HA       THR  44  23.502 -21.397 -14.846
  306    HB   THR  44           HB       THR  44  24.276 -24.289 -14.725
  307    HG1  THR  44           HG1      THR  44  25.660 -22.344 -14.440
  308   HG21  THR  44          HG21      THR  44  23.424 -22.740 -17.168
  309   HG22  THR  44          HG22      THR  44  22.996 -24.388 -16.704
  310   HG23  THR  44          HG23      THR  44  24.623 -24.028 -17.280
  311    H    GLY  45           HN       GLY  45  21.753 -24.399 -14.069
  312    HA2  GLY  45           HA2      GLY  45  19.617 -23.583 -15.941
  313    HA3  GLY  45           HA1      GLY  45  19.904 -25.229 -15.383
  314    H    ASN  46           HN       ASN  46  20.382 -23.326 -12.760
  315    HA   ASN  46           HA       ASN  46  17.643 -23.804 -11.789
  316    HB2  ASN  46           HB2      ASN  46  20.334 -23.746 -10.527
  317    HB3  ASN  46           HB1      ASN  46  18.982 -23.166  -9.556
  318   HD21  ASN  46          HD21      ASN  46  20.461 -26.014 -10.950
  319   HD22  ASN  46          HD22      ASN  46  19.350 -27.134 -10.322
  320    H    GLY  47           HN       GLY  47  20.232 -21.373 -11.377
  321    HA2  GLY  47           HA2      GLY  47  18.694 -19.339 -10.277
  322    HA3  GLY  47           HA1      GLY  47  20.145 -19.077 -11.239
  323    H    LEU  48           HN       LEU  48  19.342 -20.041 -13.702
  324    HA   LEU  48           HA       LEU  48  17.991 -17.847 -14.804
  325    HB2  LEU  48           HB2      LEU  48  19.427 -19.206 -16.188
  326    HB3  LEU  48           HB1      LEU  48  18.447 -20.637 -15.886
  327    HG   LEU  48           HG       LEU  48  16.581 -19.702 -17.118
  328   HD11  LEU  48          HD11      LEU  48  16.566 -17.401 -16.614
  329   HD12  LEU  48          HD12      LEU  48  17.056 -17.431 -18.308
  330   HD13  LEU  48          HD13      LEU  48  18.264 -17.203 -17.044
  331   HD21  LEU  48          HD21      LEU  48  19.237 -19.334 -18.529
  332   HD22  LEU  48          HD22      LEU  48  17.680 -19.343 -19.358
  333   HD23  LEU  48          HD23      LEU  48  18.236 -20.786 -18.510
  334    H    VAL  49           HN       VAL  49  16.813 -21.156 -14.183
  335    HA   VAL  49           HA       VAL  49  14.169 -20.747 -15.036
  336    HB   VAL  49           HB       VAL  49  15.467 -22.683 -13.139
  337   HG11  VAL  49          HG11      VAL  49  13.368 -22.527 -12.097
  338   HG12  VAL  49          HG12      VAL  49  13.122 -23.825 -13.266
  339   HG13  VAL  49          HG13      VAL  49  12.533 -22.200 -13.616
  340   HG21  VAL  49          HG21      VAL  49  13.821 -23.441 -15.507
  341   HG22  VAL  49          HG22      VAL  49  15.324 -24.145 -14.912
  342   HG23  VAL  49          HG23      VAL  49  15.359 -22.638 -15.828
  343    H    LEU  50           HN       LEU  50  15.195 -21.070 -11.633
  344    HA   LEU  50           HA       LEU  50  12.939 -20.131 -10.396
  345    HB2  LEU  50           HB2      LEU  50  15.784 -19.515  -9.557
  346    HB3  LEU  50           HB1      LEU  50  14.366 -19.495  -8.511
  347    HG   LEU  50           HG       LEU  50  15.393 -21.925 -10.012
  348   HD11  LEU  50          HD11      LEU  50  15.406 -21.449  -7.026
  349   HD12  LEU  50          HD12      LEU  50  16.783 -21.037  -8.048
  350   HD13  LEU  50          HD13      LEU  50  16.242 -22.711  -7.929
  351   HD21  LEU  50          HD21      LEU  50  13.756 -22.958  -8.193
  352   HD22  LEU  50          HD22      LEU  50  13.130 -22.375  -9.734
  353   HD23  LEU  50          HD23      LEU  50  12.998 -21.369  -8.292
  354    H    TRP  51           HN       TRP  51  15.325 -18.298 -12.153
  355    HA   TRP  51           HA       TRP  51  14.438 -15.726 -11.173
  356    HB2  TRP  51           HB2      TRP  51  16.738 -15.927 -11.856
  357    HB3  TRP  51           HB1      TRP  51  16.266 -16.534 -13.443
  358    HD1  TRP  51           HD1      TRP  51  16.513 -13.354 -11.390
  359    HE1  TRP  51           HE1      TRP  51  16.134 -11.323 -12.931
  360    HE3  TRP  51           HE3      TRP  51  15.049 -15.744 -15.658
  361    HZ2  TRP  51           HZ2      TRP  51  15.319 -10.781 -15.619
  362    HZ3  TRP  51           HZ3      TRP  51  14.477 -14.448 -17.691
  363    HH2  TRP  51           HH2      TRP  51  14.611 -11.972 -17.676
  364    H    THR  52           HN       THR  52  14.148 -17.534 -14.229
  365    HA   THR  52           HA       THR  52  12.543 -15.610 -15.552
  366    HB   THR  52           HB       THR  52  13.095 -18.533 -15.963
  367    HG1  THR  52           HG1      THR  52  13.348 -16.678 -17.971
  368   HG21  THR  52          HG21      THR  52  10.955 -16.846 -17.242
  369   HG22  THR  52          HG22      THR  52  10.854 -18.509 -16.662
  370   HG23  THR  52          HG23      THR  52  11.734 -18.145 -18.147
  371    H    VAL  53           HN       VAL  53  11.769 -18.426 -13.555
  372    HA   VAL  53           HA       VAL  53   8.985 -18.434 -13.975
  373    HB   VAL  53           HB       VAL  53  10.765 -19.459 -11.781
  374   HG11  VAL  53          HG11      VAL  53   7.759 -19.262 -11.837
  375   HG12  VAL  53          HG12      VAL  53   8.862 -18.938 -10.501
  376   HG13  VAL  53          HG13      VAL  53   8.553 -20.599 -11.005
  377   HG21  VAL  53          HG21      VAL  53  10.246 -20.479 -14.195
  378   HG22  VAL  53          HG22      VAL  53   8.809 -21.077 -13.365
  379   HG23  VAL  53          HG23      VAL  53  10.414 -21.517 -12.779
  380    H    PHE  54           HN       PHE  54  10.973 -16.878 -11.474
  381    HA   PHE  54           HA       PHE  54   8.904 -15.770  -9.950
  382    HB2  PHE  54           HB2      PHE  54  11.761 -15.522 -10.126
  383    HB3  PHE  54           HB1      PHE  54  11.042 -13.920  -9.959
  384    HD1  PHE  54           HD1      PHE  54   9.198 -13.645  -8.140
  385    HD2  PHE  54           HD2      PHE  54  12.006 -16.895  -8.236
  386    HE1  PHE  54           HE1      PHE  54   8.777 -14.080  -5.735
  387    HE2  PHE  54           HE2      PHE  54  11.585 -17.330  -5.832
  388    HZ   PHE  54           HZ       PHE  54   9.970 -15.924  -4.581
  389    H    ARG  55           HN       ARG  55   9.873 -15.057 -13.126
  390    HA   ARG  55           HA       ARG  55   8.540 -12.417 -13.043
  391    HB2  ARG  55           HB2      ARG  55  10.772 -13.540 -14.678
  392    HB3  ARG  55           HB1      ARG  55   9.719 -12.336 -15.418
  393    HG2  ARG  55           HG2      ARG  55  10.402 -10.656 -13.989
  394    HG3  ARG  55           HG1      ARG  55  10.732 -11.771 -12.664
  395    HD2  ARG  55           HD2      ARG  55  12.420 -11.948 -15.129
  396    HD3  ARG  55           HD1      ARG  55  12.719 -10.634 -13.995
  397    HE   ARG  55           HE       ARG  55  13.409 -13.374 -13.608
  398   HH11  ARG  55          HH21      ARG  55  12.228 -10.538 -12.017
  399   HH12  ARG  55          HH22      ARG  55  12.836 -10.990 -10.459
  400   HH21  ARG  55          HH11      ARG  55  14.203 -13.977 -11.567
  401   HH22  ARG  55          HH12      ARG  55  13.953 -12.937 -10.205
  402    H    LYS  56           HN       LYS  56   7.806 -15.519 -13.656
  403    HA   LYS  56           HA       LYS  56   5.988 -14.825 -15.887
  404    HB2  LYS  56           HB2      LYS  56   6.461 -16.767 -16.949
  405    HB3  LYS  56           HB1      LYS  56   7.937 -16.717 -15.991
  406    HG2  LYS  56           HG2      LYS  56   6.688 -18.033 -14.200
  407    HG3  LYS  56           HG1      LYS  56   5.392 -18.252 -15.377
  408    HD2  LYS  56           HD2      LYS  56   8.220 -18.983 -16.114
  409    HD3  LYS  56           HD1      LYS  56   7.231 -20.095 -15.172
  410    HE2  LYS  56           HE2      LYS  56   5.480 -20.011 -16.917
  411    HE3  LYS  56           HE1      LYS  56   6.488 -18.920 -17.867
  412    HZ1  LYS  56           HZ1      LYS  56   7.099 -21.720 -17.108
  413    HZ2  LYS  56           HZ2      LYS  56   8.225 -20.671 -17.826
  414    HZ3  LYS  56           HZ3      LYS  56   6.819 -21.118 -18.668
  415    H    LYS  57           HN       LYS  57   6.357 -16.217 -12.723
  416    HA   LYS  57           HA       LYS  57   3.504 -16.945 -12.650
  417    HB2  LYS  57           HB2      LYS  57   5.379 -18.537 -11.877
  418    HB3  LYS  57           HB1      LYS  57   5.508 -17.483 -10.468
  419    HG2  LYS  57           HG2      LYS  57   2.871 -17.791 -10.417
  420    HG3  LYS  57           HG1      LYS  57   3.255 -19.272 -11.298
  421    HD2  LYS  57           HD2      LYS  57   4.865 -19.891  -9.504
  422    HD3  LYS  57           HD1      LYS  57   4.390 -18.447  -8.608
  423    HE2  LYS  57           HE2      LYS  57   2.672 -19.593  -7.719
  424    HE3  LYS  57           HE1      LYS  57   1.995 -19.790  -9.335
  425    HZ1  LYS  57           HZ1      LYS  57   3.831 -21.651  -9.440
  426    HZ2  LYS  57           HZ2      LYS  57   2.295 -21.954  -8.782
  427    HZ3  LYS  57           HZ3      LYS  57   3.614 -21.642  -7.758
  428    H    GLY  58           HN       GLY  58   5.907 -14.820 -11.224
  429    HA2  GLY  58           HA2      GLY  58   4.104 -13.781  -9.210
  430    HA3  GLY  58           HA1      GLY  58   5.723 -13.191  -9.573
  431    H    HIS  59           HN       HIS  59   5.129 -12.943 -12.451
  432    HA   HIS  59           HA       HIS  59   4.324 -10.251 -12.517
  433    HB2  HIS  59           HB2      HIS  59   5.098 -10.419 -14.611
  434    HB3  HIS  59           HB1      HIS  59   5.313 -12.151 -14.355
  435    HD2  HIS  59           HD2      HIS  59   3.012 -13.746 -15.192
  436    HE1  HIS  59           HE1      HIS  59   1.378 -10.673 -17.580
  437    HE2  HIS  59           HE2      HIS  59   1.254 -13.148 -17.027
  438    H    HIS  60           HN       HIS  60   2.486 -13.094 -12.222
  439    HA   HIS  60           HA       HIS  60   0.016 -11.554 -12.667
  440    HB2  HIS  60           HB2      HIS  60   0.365 -12.893 -14.691
  441    HB3  HIS  60           HB1      HIS  60   0.533 -14.349 -13.710
  442    HD2  HIS  60           HD2      HIS  60  -2.275 -12.177 -12.307
  443    HE1  HIS  60           HE1      HIS  60  -4.144 -14.965 -14.869
  444    HE2  HIS  60           HE2      HIS  60  -4.546 -13.213 -13.076
  445    H    HIS  61           HN       HIS  61  -0.363 -11.396 -10.467
  446    HA   HIS  61           HA       HIS  61  -0.188 -13.628  -8.686
  447    HB2  HIS  61           HB2      HIS  61  -0.242 -10.977  -8.278
  448    HB3  HIS  61           HB1      HIS  61  -1.950 -11.330  -8.014
  449    HD2  HIS  61           HD2      HIS  61   1.540 -12.356  -6.447
  450    HE1  HIS  61           HE1      HIS  61  -1.527 -13.443  -3.755
  451    HE2  HIS  61           HE2      HIS  61   0.988 -13.302  -4.076
  452    H    HIS  62           HN       HIS  62  -2.729 -13.054  -7.317
  453    HA   HIS  62           HA       HIS  62  -4.362 -14.967  -8.748
  454    HB2  HIS  62           HB2      HIS  62  -4.165 -15.047  -6.290
  455    HB3  HIS  62           HB1      HIS  62  -4.916 -13.453  -6.185
  456    HD2  HIS  62           HD2      HIS  62  -5.975 -17.155  -6.546
  457    HE1  HIS  62           HE1      HIS  62  -9.446 -14.827  -7.140
  458    HE2  HIS  62           HE2      HIS  62  -8.574 -17.187  -6.789
  459    H    HIS  63           HN       HIS  63  -5.548 -12.047  -7.138
  460    HA   HIS  63           HA       HIS  63  -7.278 -11.542  -9.460
  461    HB2  HIS  63           HB2      HIS  63  -7.984 -11.656  -6.896
  462    HB3  HIS  63           HB1      HIS  63  -7.500  -9.961  -6.942
  463    HD2  HIS  63           HD2      HIS  63 -10.151 -12.304  -8.733
  464    HE1  HIS  63           HE1      HIS  63 -11.271  -8.277  -9.326
  465    HE2  HIS  63           HE2      HIS  63 -11.972 -10.691  -9.684
  466    H    HIS  64           HN       HIS  64  -4.603 -10.917  -9.875
  467    HA   HIS  64           HA       HIS  64  -3.173  -9.209 -10.462
  468    HB2  HIS  64           HB2      HIS  64  -4.999  -8.867 -12.088
  469    HB3  HIS  64           HB1      HIS  64  -5.806  -7.794 -10.943
  470    HD2  HIS  64           HD2      HIS  64  -5.227  -5.810 -13.117
  471    HE1  HIS  64           HE1      HIS  64  -1.230  -5.344 -11.839
  472    HE2  HIS  64           HE2      HIS  64  -3.066  -4.354 -13.287
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  43.260 -22.007  36.831
    2    H2   MET   1           HT2      MET   1  43.341 -23.678  37.127
    3    H3   MET   1           HT3      MET   1  42.022 -23.026  36.276
    4    HA   MET   1           HA       MET   1  44.509 -23.928  35.283
    5    HB2  MET   1           HB2      MET   1  42.110 -22.710  33.884
    6    HB3  MET   1           HB1      MET   1  43.325 -23.762  33.159
    7    HG2  MET   1           HG2      MET   1  42.671 -25.579  34.701
    8    HG3  MET   1           HG1      MET   1  41.444 -24.529  35.410
    9    HE1  MET   1           HE1      MET   1  40.732 -26.905  34.916
   10    HE2  MET   1           HE2      MET   1  40.332 -27.574  33.337
   11    HE3  MET   1           HE3      MET   1  39.142 -26.606  34.203
   12    H    GLU   2           HN       GLU   2  45.470 -22.773  33.310
   13    HA   GLU   2           HA       GLU   2  46.064 -20.000  34.100
   14    HB2  GLU   2           HB2      GLU   2  47.565 -22.139  32.656
   15    HB3  GLU   2           HB1      GLU   2  47.920 -20.457  32.258
   16    HG2  GLU   2           HG2      GLU   2  47.759 -21.263  35.142
   17    HG3  GLU   2           HG1      GLU   2  49.214 -21.654  34.225
   18    H    GLU   3           HN       GLU   3  45.762 -18.292  32.733
   19    HA   GLU   3           HA       GLU   3  44.601 -17.116  31.116
   20    HB2  GLU   3           HB2      GLU   3  45.673 -19.124  29.155
   21    HB3  GLU   3           HB1      GLU   3  45.527 -17.374  28.988
   22    HG2  GLU   3           HG2      GLU   3  47.192 -17.385  31.060
   23    HG3  GLU   3           HG1      GLU   3  47.608 -18.975  30.421
   24    H    GLY   4           HN       GLY   4  43.428 -17.766  28.749
   25    HA2  GLY   4           HA2      GLY   4  41.761 -20.081  28.868
   26    HA3  GLY   4           HA1      GLY   4  40.897 -18.651  29.426
   27    H    GLY   5           HN       GLY   5  41.067 -16.712  27.930
   28    HA2  GLY   5           HA2      GLY   5  40.351 -17.578  25.249
   29    HA3  GLY   5           HA1      GLY   5  40.212 -15.946  25.896
   30    H    ASP   6           HN       ASP   6  41.129 -15.917  23.466
   31    HA   ASP   6           HA       ASP   6  43.974 -15.276  23.774
   32    HB2  ASP   6           HB2      ASP   6  43.141 -16.746  21.303
   33    HB3  ASP   6           HB1      ASP   6  44.734 -16.621  22.048
   34    H    PHE   7           HN       PHE   7  41.787 -13.529  23.665
   35    HA   PHE   7           HA       PHE   7  41.134 -12.569  21.106
   36    HB2  PHE   7           HB2      PHE   7  41.007 -11.541  23.876
   37    HB3  PHE   7           HB1      PHE   7  41.036 -10.314  22.609
   38    HD1  PHE   7           HD1      PHE   7  39.223 -13.277  23.903
   39    HD2  PHE   7           HD2      PHE   7  39.190 -10.030  21.091
   40    HE1  PHE   7           HE1      PHE   7  36.836 -13.731  23.407
   41    HE2  PHE   7           HE2      PHE   7  36.803 -10.484  20.595
   42    HZ   PHE   7           HZ       PHE   7  35.626 -12.335  21.753
   43    H    ASP   8           HN       ASP   8  42.683 -12.143  19.639
   44    HA   ASP   8           HA       ASP   8  44.596 -10.018  20.266
   45    HB2  ASP   8           HB2      ASP   8  45.319 -12.799  20.012
   46    HB3  ASP   8           HB1      ASP   8  46.058 -11.857  18.718
   47    H    ASN   9           HN       ASN   9  43.256 -12.221  17.835
   48    HA   ASN   9           HA       ASN   9  42.863 -11.972  15.586
   49    HB2  ASN   9           HB2      ASN   9  41.174 -10.460  16.526
   50    HB3  ASN   9           HB1      ASN   9  42.335  -9.134  16.487
   51   HD21  ASN   9          HD21      ASN   9  39.943  -8.881  15.013
   52   HD22  ASN   9          HD22      ASN   9  40.296  -8.971  13.356
   53    H    TYR  10           HN       TYR  10  44.005  -8.656  15.987
   54    HA   TYR  10           HA       TYR  10  45.745  -8.858  13.744
   55    HB2  TYR  10           HB2      TYR  10  44.593  -6.758  14.549
   56    HB3  TYR  10           HB1      TYR  10  45.766  -6.707  15.865
   57    HD1  TYR  10           HD2      TYR  10  45.487  -6.833  12.141
   58    HD2  TYR  10           HD1      TYR  10  47.921  -5.806  15.528
   59    HE1  TYR  10           HE2      TYR  10  47.138  -5.763  10.631
   60    HE2  TYR  10           HE1      TYR  10  49.572  -4.737  14.017
   61    HH   TYR  10           HH       TYR  10  49.103  -3.679  11.238
   62    H    TYR  11           HN       TYR  11  46.391 -10.848  15.649
   63    HA   TYR  11           HA       TYR  11  49.204 -10.545  15.793
   64    HB2  TYR  11           HB2      TYR  11  48.064  -9.162  17.818
   65    HB3  TYR  11           HB1      TYR  11  48.168 -10.758  18.562
   66    HD1  TYR  11           HD2      TYR  11  50.121  -8.041  16.964
   67    HD2  TYR  11           HD1      TYR  11  50.285 -11.737  19.146
   68    HE1  TYR  11           HE2      TYR  11  52.546  -7.703  17.356
   69    HE2  TYR  11           HE1      TYR  11  52.710 -11.399  19.538
   70    HH   TYR  11           HH       TYR  11  54.297  -9.425  19.633
   71    H    GLY  12           HN       GLY  12  47.339 -12.433  14.819
   72    HA2  GLY  12           HA2      GLY  12  48.419 -14.852  15.303
   73    HA3  GLY  12           HA1      GLY  12  47.289 -14.689  16.644
   74    H    ALA  13           HN       ALA  13  46.665 -13.250  13.530
   75    HA   ALA  13           HA       ALA  13  44.573 -15.283  13.022
   76    HB1  ALA  13           HB1      ALA  13  44.492 -12.288  12.617
   77    HB2  ALA  13           HB2      ALA  13  43.469 -13.256  13.679
   78    HB3  ALA  13           HB3      ALA  13  43.304 -13.395  11.929
   79    H    ASP  14           HN       ASP  14  47.077 -13.218  11.719
   80    HA   ASP  14           HA       ASP  14  46.564 -14.131   8.987
   81    HB2  ASP  14           HB2      ASP  14  48.502 -12.619   8.445
   82    HB3  ASP  14           HB1      ASP  14  47.124 -11.805   9.187
   83    H    ASN  15           HN       ASN  15  48.644 -14.777  11.681
   84    HA   ASN  15           HA       ASN  15  50.867 -15.910  10.423
   85    HB2  ASN  15           HB2      ASN  15  49.525 -16.638  13.035
   86    HB3  ASN  15           HB1      ASN  15  51.099 -17.250  12.529
   87   HD21  ASN  15          HD21      ASN  15  51.553 -15.953  14.720
   88   HD22  ASN  15          HD22      ASN  15  52.020 -14.335  14.507
   89    H    GLN  16           HN       GLN  16  47.620 -17.034  10.645
   90    HA   GLN  16           HA       GLN  16  48.312 -19.802  10.039
   91    HB2  GLN  16           HB2      GLN  16  46.047 -20.303  10.373
   92    HB3  GLN  16           HB1      GLN  16  46.342 -18.994  11.518
   93    HG2  GLN  16           HG2      GLN  16  45.616 -17.437   9.556
   94    HG3  GLN  16           HG1      GLN  16  44.901 -18.899   8.878
   95   HE21  GLN  16          HE21      GLN  16  44.627 -19.643  11.993
   96   HE22  GLN  16          HE22      GLN  16  43.154 -18.898  12.386
   97    H    SER  17           HN       SER  17  47.236 -16.905   8.416
   98    HA   SER  17           HA       SER  17  46.360 -18.174   6.006
   99    HB2  SER  17           HB2      SER  17  46.409 -15.901   5.065
  100    HB3  SER  17           HB1      SER  17  45.604 -15.924   6.632
  101    HG   SER  17           HG       SER  17  47.351 -14.996   7.550
  102    H    GLU  18           HN       GLU  18  49.295 -16.297   6.800
  103    HA   GLU  18           HA       GLU  18  50.701 -16.498   4.471
  104    HB2  GLU  18           HB2      GLU  18  52.732 -16.324   5.772
  105    HB3  GLU  18           HB1      GLU  18  51.481 -15.361   6.560
  106    HG2  GLU  18           HG2      GLU  18  50.991 -17.421   7.990
  107    HG3  GLU  18           HG1      GLU  18  52.490 -18.098   7.356
  108    H    CYS  19           HN       CYS  19  49.876 -19.067   6.642
  109    HA   CYS  19           HA       CYS  19  51.817 -20.929   5.548
  110    HB2  CYS  19           HB2      CYS  19  49.608 -21.131   7.583
  111    HB3  CYS  19           HB1      CYS  19  50.414 -22.572   6.964
  112    HG   CYS  19           HG       CYS  19  52.713 -21.236   7.754
  113    H    GLU  20           HN       GLU  20  48.430 -20.117   5.143
  114    HA   GLU  20           HA       GLU  20  47.951 -22.417   3.411
  115    HB2  GLU  20           HB2      GLU  20  46.222 -20.169   4.436
  116    HB3  GLU  20           HB1      GLU  20  45.663 -21.283   3.188
  117    HG2  GLU  20           HG2      GLU  20  46.800 -22.246   5.818
  118    HG3  GLU  20           HG1      GLU  20  45.084 -21.912   5.600
  119    H    TYR  21           HN       TYR  21  48.982 -19.166   3.159
  120    HA   TYR  21           HA       TYR  21  48.027 -18.678   0.487
  121    HB2  TYR  21           HB2      TYR  21  48.441 -16.637   1.387
  122    HB3  TYR  21           HB1      TYR  21  49.664 -17.262   2.493
  123    HD1  TYR  21           HD2      TYR  21  51.992 -17.648   1.708
  124    HD2  TYR  21           HD1      TYR  21  49.029 -15.808  -0.799
  125    HE1  TYR  21           HE2      TYR  21  53.779 -16.833   0.196
  126    HE2  TYR  21           HE1      TYR  21  50.817 -14.992  -2.312
  127    HH   TYR  21           HH       TYR  21  52.998 -15.133  -2.822
  128    H    THR  22           HN       THR  22  51.119 -19.654   1.936
  129    HA   THR  22           HA       THR  22  52.552 -19.750  -0.526
  130    HB   THR  22           HB       THR  22  53.454 -19.673   1.912
  131    HG1  THR  22           HG1      THR  22  55.313 -20.237   1.051
  132   HG21  THR  22          HG21      THR  22  53.733 -21.686   3.053
  133   HG22  THR  22          HG22      THR  22  53.549 -22.656   1.592
  134   HG23  THR  22          HG23      THR  22  52.138 -21.905   2.335
  135    H    ASP  23           HN       ASP  23  50.226 -21.795   0.908
  136    HA   ASP  23           HA       ASP  23  51.068 -24.100  -0.725
  137    HB2  ASP  23           HB2      ASP  23  50.587 -24.409   1.733
  138    HB3  ASP  23           HB1      ASP  23  48.905 -24.011   1.384
  139    H    TRP  24           HN       TRP  24  48.292 -21.997  -0.045
  140    HA   TRP  24           HA       TRP  24  46.346 -23.104  -1.633
  141    HB2  TRP  24           HB2      TRP  24  45.642 -21.226  -0.461
  142    HB3  TRP  24           HB1      TRP  24  47.034 -20.266  -0.960
  143    HD1  TRP  24           HD1      TRP  24  43.959 -21.940  -2.617
  144    HE1  TRP  24           HE1      TRP  24  43.167 -20.422  -4.544
  145    HE3  TRP  24           HE3      TRP  24  47.517 -18.285  -2.378
  146    HZ2  TRP  24           HZ2      TRP  24  43.941 -17.978  -5.815
  147    HZ3  TRP  24           HZ3      TRP  24  47.466 -16.376  -3.957
  148    HH2  TRP  24           HH2      TRP  24  45.684 -16.218  -5.674
  149    H    LYS  25           HN       LYS  25  48.992 -20.967  -2.662
  150    HA   LYS  25           HA       LYS  25  48.339 -20.568  -5.312
  151    HB2  LYS  25           HB2      LYS  25  51.070 -21.084  -4.113
  152    HB3  LYS  25           HB1      LYS  25  50.792 -20.432  -5.728
  153    HG2  LYS  25           HG2      LYS  25  49.210 -18.942  -3.860
  154    HG3  LYS  25           HG1      LYS  25  50.868 -19.011  -3.263
  155    HD2  LYS  25           HD2      LYS  25  51.717 -18.164  -5.381
  156    HD3  LYS  25           HD1      LYS  25  50.102 -18.218  -6.087
  157    HE2  LYS  25           HE2      LYS  25  49.662 -16.165  -5.282
  158    HE3  LYS  25           HE1      LYS  25  49.970 -16.732  -3.641
  159    HZ1  LYS  25           HZ1      LYS  25  52.405 -16.425  -5.046
  160    HZ2  LYS  25           HZ2      LYS  25  51.892 -15.665  -3.616
  161    HZ3  LYS  25           HZ3      LYS  25  51.511 -14.984  -5.125
  162    H    SER  26           HN       SER  26  49.856 -23.391  -3.821
  163    HA   SER  26           HA       SER  26  50.059 -24.775  -6.374
  164    HB2  SER  26           HB2      SER  26  51.053 -25.183  -3.631
  165    HB3  SER  26           HB1      SER  26  50.614 -26.661  -4.483
  166    HG   SER  26           HG       SER  26  52.010 -26.090  -6.129
  167    H    SER  27           HN       SER  27  48.245 -25.095  -3.333
  168    HA   SER  27           HA       SER  27  46.706 -27.339  -4.237
  169    HB2  SER  27           HB2      SER  27  46.897 -25.689  -1.826
  170    HB3  SER  27           HB1      SER  27  45.249 -26.189  -2.196
  171    HG   SER  27           HG       SER  27  47.538 -27.747  -1.682
  172    H    GLY  28           HN       GLY  28  46.729 -24.315  -5.380
  173    HA2  GLY  28           HA2      GLY  28  43.864 -23.829  -5.497
  174    HA3  GLY  28           HA1      GLY  28  45.125 -22.838  -6.225
  175    H    ALA  29           HN       ALA  29  46.068 -25.738  -7.161
  176    HA   ALA  29           HA       ALA  29  44.698 -25.530  -9.744
  177    HB1  ALA  29           HB1      ALA  29  46.465 -26.843 -10.632
  178    HB2  ALA  29           HB2      ALA  29  46.952 -27.407  -9.033
  179    HB3  ALA  29           HB3      ALA  29  47.235 -25.730  -9.500
  180    H    LEU  30           HN       LEU  30  43.055 -26.429  -7.699
  181    HA   LEU  30           HA       LEU  30  42.082 -28.868  -8.781
  182    HB2  LEU  30           HB2      LEU  30  42.455 -30.349  -6.877
  183    HB3  LEU  30           HB1      LEU  30  43.999 -29.794  -7.521
  184    HG   LEU  30           HG       LEU  30  43.351 -27.839  -5.664
  185   HD11  LEU  30          HD11      LEU  30  41.513 -29.251  -4.809
  186   HD12  LEU  30          HD12      LEU  30  42.796 -29.088  -3.608
  187   HD13  LEU  30          HD13      LEU  30  42.651 -30.573  -4.549
  188   HD21  LEU  30          HD21      LEU  30  45.580 -28.684  -5.924
  189   HD22  LEU  30          HD22      LEU  30  45.079 -30.321  -5.499
  190   HD23  LEU  30          HD23      LEU  30  45.107 -29.060  -4.267
  191    H    ILE  31           HN       ILE  31  42.090 -26.456  -6.245
  192    HA   ILE  31           HA       ILE  31  39.599 -27.237  -5.083
  193    HB   ILE  31           HB       ILE  31  41.353 -24.811  -4.856
  194   HG12  ILE  31          HG12      ILE  31  40.217 -26.679  -2.762
  195   HG13  ILE  31          HG11      ILE  31  41.735 -26.996  -3.605
  196   HG21  ILE  31          HG21      ILE  31  39.254 -23.744  -4.766
  197   HG22  ILE  31          HG22      ILE  31  39.593 -24.114  -3.076
  198   HG23  ILE  31          HG23      ILE  31  38.483 -25.130  -3.994
  199   HD11  ILE  31          HD11      ILE  31  41.237 -24.368  -2.208
  200   HD12  ILE  31          HD12      ILE  31  42.776 -25.076  -2.695
  201   HD13  ILE  31          HD13      ILE  31  41.879 -25.762  -1.341
  202    HA   PRO  32           HA       PRO  32  38.035 -23.558  -7.939
  203    HB2  PRO  32           HB2      PRO  32  39.435 -24.368 -10.427
  204    HB3  PRO  32           HB1      PRO  32  39.138 -22.745  -9.775
  205    HG2  PRO  32           HG2      PRO  32  41.563 -23.855  -9.728
  206    HG3  PRO  32           HG1      PRO  32  40.987 -22.801  -8.424
  207    HD2  PRO  32           HD2      PRO  32  41.236 -25.785  -8.465
  208    HD3  PRO  32           HD1      PRO  32  41.515 -24.648  -7.130
  209    H    ALA  33           HN       ALA  33  38.856 -26.811  -9.002
  210    HA   ALA  33           HA       ALA  33  36.841 -27.288 -10.865
  211    HB1  ALA  33           HB1      ALA  33  37.191 -29.623  -9.245
  212    HB2  ALA  33           HB2      ALA  33  38.754 -28.828  -9.440
  213    HB3  ALA  33           HB3      ALA  33  37.821 -29.301 -10.860
  214    H    ILE  34           HN       ILE  34  36.727 -28.405  -7.474
  215    HA   ILE  34           HA       ILE  34  34.035 -29.044  -7.388
  216    HB   ILE  34           HB       ILE  34  36.019 -28.182  -5.315
  217   HG12  ILE  34          HG12      ILE  34  35.634 -30.548  -6.447
  218   HG13  ILE  34          HG11      ILE  34  35.997 -30.428  -4.727
  219   HG21  ILE  34          HG21      ILE  34  34.137 -28.780  -3.636
  220   HG22  ILE  34          HG22      ILE  34  33.033 -28.436  -4.968
  221   HG23  ILE  34          HG23      ILE  34  34.109 -27.175  -4.363
  222   HD11  ILE  34          HD11      ILE  34  33.145 -30.400  -5.715
  223   HD12  ILE  34          HD12      ILE  34  33.748 -30.789  -4.105
  224   HD13  ILE  34          HD13      ILE  34  33.999 -31.917  -5.437
  225    H    TYR  35           HN       TYR  35  35.590 -25.911  -6.856
  226    HA   TYR  35           HA       TYR  35  33.331 -24.487  -5.976
  227    HB2  TYR  35           HB2      TYR  35  36.024 -23.891  -6.780
  228    HB3  TYR  35           HB1      TYR  35  34.921 -22.735  -7.527
  229    HD1  TYR  35           HD1      TYR  35  35.802 -24.318  -4.260
  230    HD2  TYR  35           HD2      TYR  35  33.946 -20.998  -6.256
  231    HE1  TYR  35           HE1      TYR  35  35.550 -23.152  -2.086
  232    HE2  TYR  35           HE2      TYR  35  33.694 -19.832  -4.082
  233    HH   TYR  35           HH       TYR  35  33.673 -20.228  -1.777
  234    H    MET  36           HN       MET  36  34.776 -24.461  -9.244
  235    HA   MET  36           HA       MET  36  32.619 -23.151 -10.489
  236    HB2  MET  36           HB2      MET  36  34.991 -24.693 -11.386
  237    HB3  MET  36           HB1      MET  36  33.674 -24.523 -12.547
  238    HG2  MET  36           HG2      MET  36  34.843 -22.180 -11.030
  239    HG3  MET  36           HG1      MET  36  35.414 -22.675 -12.623
  240    HE1  MET  36           HE1      MET  36  32.965 -20.831 -10.528
  241    HE2  MET  36           HE2      MET  36  32.277 -19.773 -11.758
  242    HE3  MET  36           HE3      MET  36  34.024 -19.845 -11.547
  243    H    LEU  37           HN       LEU  37  33.475 -26.618 -10.500
  244    HA   LEU  37           HA       LEU  37  31.370 -27.637 -11.940
  245    HB2  LEU  37           HB2      LEU  37  33.306 -28.926 -10.946
  246    HB3  LEU  37           HB1      LEU  37  32.429 -28.919  -9.415
  247    HG   LEU  37           HG       LEU  37  30.519 -29.733 -11.273
  248   HD11  LEU  37          HD11      LEU  37  32.342 -30.048 -12.930
  249   HD12  LEU  37          HD12      LEU  37  31.587 -31.579 -12.488
  250   HD13  LEU  37          HD13      LEU  37  33.153 -31.140 -11.808
  251   HD21  LEU  37          HD21      LEU  37  30.802 -30.605  -8.994
  252   HD22  LEU  37          HD22      LEU  37  32.314 -31.381  -9.463
  253   HD23  LEU  37          HD23      LEU  37  30.787 -31.938 -10.150
  254    H    VAL  38           HN       VAL  38  31.353 -26.376  -8.681
  255    HA   VAL  38           HA       VAL  38  28.618 -27.303  -8.209
  256    HB   VAL  38           HB       VAL  38  30.632 -25.835  -6.503
  257   HG11  VAL  38          HG11      VAL  38  27.687 -26.307  -6.124
  258   HG12  VAL  38          HG12      VAL  38  28.641 -24.874  -5.742
  259   HG13  VAL  38          HG13      VAL  38  28.760 -26.309  -4.723
  260   HG21  VAL  38          HG21      VAL  38  29.235 -28.476  -6.030
  261   HG22  VAL  38          HG22      VAL  38  30.684 -27.858  -5.239
  262   HG23  VAL  38          HG23      VAL  38  30.749 -28.365  -6.927
  263    H    PHE  39           HN       PHE  39  30.354 -24.467  -9.190
  264    HA   PHE  39           HA       PHE  39  28.272 -22.581  -8.572
  265    HB2  PHE  39           HB2      PHE  39  30.905 -22.311  -9.123
  266    HB3  PHE  39           HB1      PHE  39  30.223 -21.941 -10.707
  267    HD1  PHE  39           HD2      PHE  39  29.835 -21.111  -7.075
  268    HD2  PHE  39           HD1      PHE  39  29.343 -19.808 -11.139
  269    HE1  PHE  39           HE2      PHE  39  29.198 -18.853  -6.274
  270    HE2  PHE  39           HE1      PHE  39  28.705 -17.550 -10.338
  271    HZ   PHE  39           HZ       PHE  39  28.633 -17.071  -7.905
  272    H    LEU  40           HN       LEU  40  29.546 -23.819 -11.675
  273    HA   LEU  40           HA       LEU  40  27.439 -22.774 -13.246
  274    HB2  LEU  40           HB2      LEU  40  28.269 -24.304 -14.997
  275    HB3  LEU  40           HB1      LEU  40  29.589 -23.430 -14.220
  276    HG   LEU  40           HG       LEU  40  29.341 -25.671 -12.626
  277   HD11  LEU  40          HD11      LEU  40  29.097 -27.590 -14.024
  278   HD12  LEU  40          HD12      LEU  40  29.151 -26.616 -15.493
  279   HD13  LEU  40          HD13      LEU  40  27.745 -26.534 -14.432
  280   HD21  LEU  40          HD21      LEU  40  31.103 -25.058 -15.011
  281   HD22  LEU  40          HD22      LEU  40  31.380 -26.451 -13.965
  282   HD23  LEU  40          HD23      LEU  40  31.471 -24.819 -13.302
  283    H    LEU  41           HN       LEU  41  27.238 -25.027 -10.886
  284    HA   LEU  41           HA       LEU  41  25.280 -26.734 -12.260
  285    HB2  LEU  41           HB2      LEU  41  27.113 -27.078 -10.041
  286    HB3  LEU  41           HB1      LEU  41  25.470 -27.525  -9.579
  287    HG   LEU  41           HG       LEU  41  26.814 -28.502 -12.112
  288   HD11  LEU  41          HD11      LEU  41  27.172 -29.324  -9.349
  289   HD12  LEU  41          HD12      LEU  41  28.014 -29.884 -10.795
  290   HD13  LEU  41          HD13      LEU  41  26.491 -30.633 -10.315
  291   HD21  LEU  41          HD21      LEU  41  24.136 -28.509 -11.236
  292   HD22  LEU  41          HD22      LEU  41  24.722 -30.148 -10.958
  293   HD23  LEU  41          HD23      LEU  41  24.813 -29.441 -12.571
  294    H    GLY  42           HN       GLY  42  25.515 -24.998  -9.143
  295    HA2  GLY  42           HA2      GLY  42  22.586 -24.786  -9.080
  296    HA3  GLY  42           HA1      GLY  42  23.676 -24.486  -7.730
  297    H    THR  43           HN       THR  43  24.836 -23.097 -10.570
  298    HA   THR  43           HA       THR  43  23.522 -20.511 -10.019
  299    HB   THR  43           HB       THR  43  26.378 -20.420 -10.793
  300    HG1  THR  43           HG1      THR  43  25.416 -21.450  -8.361
  301   HG21  THR  43          HG21      THR  43  26.342 -18.432  -9.540
  302   HG22  THR  43          HG22      THR  43  24.987 -18.974  -8.549
  303   HG23  THR  43          HG23      THR  43  24.719 -18.501 -10.227
  304    H    THR  44           HN       THR  44  23.058 -22.502 -12.095
  305    HA   THR  44           HA       THR  44  23.619 -20.795 -14.431
  306    HB   THR  44           HB       THR  44  24.067 -23.774 -14.211
  307    HG1  THR  44           HG1      THR  44  25.784 -21.968 -15.447
  308   HG21  THR  44          HG21      THR  44  22.990 -23.704 -16.265
  309   HG22  THR  44          HG22      THR  44  24.646 -23.350 -16.756
  310   HG23  THR  44          HG23      THR  44  23.480 -22.040 -16.581
  311    H    GLY  45           HN       GLY  45  21.831 -23.676 -13.320
  312    HA2  GLY  45           HA2      GLY  45  19.595 -22.931 -15.083
  313    HA3  GLY  45           HA1      GLY  45  19.821 -24.498 -14.308
  314    H    ASN  46           HN       ASN  46  20.606 -22.672 -11.861
  315    HA   ASN  46           HA       ASN  46  18.019 -22.848 -10.604
  316    HB2  ASN  46           HB2      ASN  46  19.319 -22.998  -8.791
  317    HB3  ASN  46           HB1      ASN  46  20.741 -22.620  -9.762
  318   HD21  ASN  46          HD21      ASN  46  21.383 -20.326  -9.924
  319   HD22  ASN  46          HD22      ASN  46  20.830 -19.198  -8.783
  320    H    GLY  47           HN       GLY  47  20.249 -20.152 -11.317
  321    HA2  GLY  47           HA2      GLY  47  18.520 -18.081 -10.515
  322    HA3  GLY  47           HA1      GLY  47  19.867 -17.905 -11.636
  323    H    LEU  48           HN       LEU  48  19.221 -19.307 -13.798
  324    HA   LEU  48           HA       LEU  48  17.488 -17.730 -15.252
  325    HB2  LEU  48           HB2      LEU  48  19.099 -19.397 -16.200
  326    HB3  LEU  48           HB1      LEU  48  17.985 -20.678 -15.731
  327    HG   LEU  48           HG       LEU  48  16.214 -19.613 -17.131
  328   HD11  LEU  48          HD11      LEU  48  16.660 -17.369 -17.418
  329   HD12  LEU  48          HD12      LEU  48  17.384 -17.982 -18.905
  330   HD13  LEU  48          HD13      LEU  48  18.404 -17.615 -17.514
  331   HD21  LEU  48          HD21      LEU  48  17.699 -21.415 -18.012
  332   HD22  LEU  48          HD22      LEU  48  18.787 -20.175 -18.636
  333   HD23  LEU  48          HD23      LEU  48  17.149 -20.314 -19.275
  334    H    VAL  49           HN       VAL  49  16.759 -20.870 -13.728
  335    HA   VAL  49           HA       VAL  49  14.041 -20.966 -14.447
  336    HB   VAL  49           HB       VAL  49  15.639 -22.220 -12.224
  337   HG11  VAL  49          HG11      VAL  49  12.665 -22.177 -12.650
  338   HG12  VAL  49          HG12      VAL  49  13.574 -22.120 -11.139
  339   HG13  VAL  49          HG13      VAL  49  13.429 -23.638 -12.025
  340   HG21  VAL  49          HG21      VAL  49  14.077 -23.563 -14.428
  341   HG22  VAL  49          HG22      VAL  49  15.470 -24.173 -13.535
  342   HG23  VAL  49          HG23      VAL  49  15.683 -22.902 -14.739
  343    H    LEU  50           HN       LEU  50  15.192 -20.454 -11.117
  344    HA   LEU  50           HA       LEU  50  12.919 -19.414 -10.015
  345    HB2  LEU  50           HB2      LEU  50  15.748 -18.482  -9.468
  346    HB3  LEU  50           HB1      LEU  50  14.367 -18.246  -8.398
  347    HG   LEU  50           HG       LEU  50  15.420 -20.945  -9.304
  348   HD11  LEU  50          HD11      LEU  50  15.587 -19.704  -6.549
  349   HD12  LEU  50          HD12      LEU  50  16.897 -19.597  -7.724
  350   HD13  LEU  50          HD13      LEU  50  16.379 -21.172  -7.122
  351   HD21  LEU  50          HD21      LEU  50  13.091 -20.036  -7.651
  352   HD22  LEU  50          HD22      LEU  50  13.923 -21.514  -7.173
  353   HD23  LEU  50          HD23      LEU  50  13.205 -21.387  -8.778
  354    H    TRP  51           HN       TRP  51  15.046 -17.883 -12.287
  355    HA   TRP  51           HA       TRP  51  14.039 -15.208 -11.823
  356    HB2  TRP  51           HB2      TRP  51  16.311 -15.440 -12.612
  357    HB3  TRP  51           HB1      TRP  51  15.778 -16.384 -14.003
  358    HD1  TRP  51           HD1      TRP  51  15.987 -12.843 -12.674
  359    HE1  TRP  51           HE1      TRP  51  15.361 -11.195 -14.555
  360    HE3  TRP  51           HE3      TRP  51  14.319 -16.128 -16.212
  361    HZ2  TRP  51           HZ2      TRP  51  14.296 -11.259 -17.208
  362    HZ3  TRP  51           HZ3      TRP  51  13.505 -15.307 -18.404
  363    HH2  TRP  51           HH2      TRP  51  13.491 -12.880 -18.906
  364    H    THR  52           HN       THR  52  13.683 -17.693 -14.345
  365    HA   THR  52           HA       THR  52  11.870 -16.200 -15.947
  366    HB   THR  52           HB       THR  52  12.638 -19.098 -15.765
  367    HG1  THR  52           HG1      THR  52  12.621 -17.731 -18.140
  368   HG21  THR  52          HG21      THR  52  11.125 -19.292 -17.873
  369   HG22  THR  52          HG22      THR  52  10.295 -17.884 -17.211
  370   HG23  THR  52          HG23      THR  52  10.365 -19.382 -16.283
  371    H    VAL  53           HN       VAL  53  11.441 -18.586 -13.366
  372    HA   VAL  53           HA       VAL  53   8.650 -18.869 -13.561
  373    HB   VAL  53           HB       VAL  53  10.604 -19.225 -11.298
  374   HG11  VAL  53          HG11      VAL  53   8.683 -18.656 -10.074
  375   HG12  VAL  53          HG12      VAL  53   8.537 -20.407 -10.225
  376   HG13  VAL  53          HG13      VAL  53   7.596 -19.349 -11.278
  377   HG21  VAL  53          HG21      VAL  53   8.851 -21.393 -12.306
  378   HG22  VAL  53          HG22      VAL  53  10.568 -21.430 -11.906
  379   HG23  VAL  53          HG23      VAL  53  10.038 -20.781 -13.458
  380    H    PHE  54           HN       PHE  54  10.654 -16.595 -11.723
  381    HA   PHE  54           HA       PHE  54   8.560 -15.342 -10.304
  382    HB2  PHE  54           HB2      PHE  54  11.385 -14.970 -10.671
  383    HB3  PHE  54           HB1      PHE  54  10.566 -13.415 -10.829
  384    HD1  PHE  54           HD1      PHE  54   8.808 -12.810  -9.026
  385    HD2  PHE  54           HD2      PHE  54  11.745 -15.905  -8.542
  386    HE1  PHE  54           HE1      PHE  54   8.496 -12.720  -6.567
  387    HE2  PHE  54           HE2      PHE  54  11.435 -15.816  -6.082
  388    HZ   PHE  54           HZ       PHE  54   9.809 -14.224  -5.096
  389    H    ARG  55           HN       ARG  55   9.358 -15.289 -13.605
  390    HA   ARG  55           HA       ARG  55   7.858 -12.776 -14.031
  391    HB2  ARG  55           HB2      ARG  55  10.077 -14.126 -15.501
  392    HB3  ARG  55           HB1      ARG  55   8.912 -13.188 -16.435
  393    HG2  ARG  55           HG2      ARG  55   9.548 -11.184 -15.482
  394    HG3  ARG  55           HG1      ARG  55  10.010 -11.934 -13.954
  395    HD2  ARG  55           HD2      ARG  55  11.596 -12.604 -16.403
  396    HD3  ARG  55           HD1      ARG  55  11.854 -11.041 -15.635
  397    HE   ARG  55           HE       ARG  55  12.741 -13.564 -14.643
  398   HH11  ARG  55          HH21      ARG  55  11.447 -10.491 -13.718
  399   HH12  ARG  55          HH22      ARG  55  12.155 -10.513 -12.137
  400   HH21  ARG  55          HH11      ARG  55  13.668 -13.603 -12.570
  401   HH22  ARG  55          HH12      ARG  55  13.412 -12.275 -11.487
  402    H    LYS  56           HN       LYS  56   7.680 -16.159 -14.303
  403    HA   LYS  56           HA       LYS  56   5.613 -16.013 -16.393
  404    HB2  LYS  56           HB2      LYS  56   6.263 -18.070 -17.036
  405    HB3  LYS  56           HB1      LYS  56   7.676 -17.810 -16.019
  406    HG2  LYS  56           HG2      LYS  56   6.371 -18.810 -14.093
  407    HG3  LYS  56           HG1      LYS  56   5.109 -19.238 -15.255
  408    HD2  LYS  56           HD2      LYS  56   6.707 -20.569 -16.542
  409    HD3  LYS  56           HD1      LYS  56   8.004 -20.111 -15.438
  410    HE2  LYS  56           HE2      LYS  56   7.457 -21.861 -14.136
  411    HE3  LYS  56           HE1      LYS  56   5.900 -21.094 -13.821
  412    HZ1  LYS  56           HZ1      LYS  56   6.542 -22.921 -16.072
  413    HZ2  LYS  56           HZ2      LYS  56   5.059 -22.116 -15.870
  414    HZ3  LYS  56           HZ3      LYS  56   5.561 -23.275 -14.734
  415    H    LYS  57           HN       LYS  57   6.117 -16.674 -13.008
  416    HA   LYS  57           HA       LYS  57   3.301 -17.474 -12.693
  417    HB2  LYS  57           HB2      LYS  57   5.237 -18.810 -11.665
  418    HB3  LYS  57           HB1      LYS  57   5.401 -17.469 -10.531
  419    HG2  LYS  57           HG2      LYS  57   2.824 -17.774 -10.196
  420    HG3  LYS  57           HG1      LYS  57   3.104 -19.378 -10.876
  421    HD2  LYS  57           HD2      LYS  57   5.123 -19.313  -9.094
  422    HD3  LYS  57           HD1      LYS  57   3.987 -18.244  -8.270
  423    HE2  LYS  57           HE2      LYS  57   3.572 -20.525  -7.539
  424    HE3  LYS  57           HE1      LYS  57   2.220 -20.001  -8.545
  425    HZ1  LYS  57           HZ1      LYS  57   4.537 -21.476  -9.648
  426    HZ2  LYS  57           HZ2      LYS  57   3.017 -21.221 -10.363
  427    HZ3  LYS  57           HZ3      LYS  57   3.170 -22.269  -9.033
  428    H    GLY  58           HN       GLY  58   5.559 -14.915 -12.045
  429    HA2  GLY  58           HA2      GLY  58   3.909 -13.583 -10.079
  430    HA3  GLY  58           HA1      GLY  58   5.370 -12.945 -10.827
  431    H    HIS  59           HN       HIS  59   4.370 -13.489 -13.548
  432    HA   HIS  59           HA       HIS  59   3.215 -10.993 -14.107
  433    HB2  HIS  59           HB2      HIS  59   4.444 -12.427 -15.750
  434    HB3  HIS  59           HB1      HIS  59   3.036 -13.488 -15.810
  435    HD2  HIS  59           HD2      HIS  59   1.657 -10.005 -15.541
  436    HE1  HIS  59           HE1      HIS  59   2.065 -10.668 -19.690
  437    HE2  HIS  59           HE2      HIS  59   1.037  -9.154 -17.930
  438    H    HIS  60           HN       HIS  60   1.677 -14.212 -14.315
  439    HA   HIS  60           HA       HIS  60  -0.932 -13.371 -14.758
  440    HB2  HIS  60           HB2      HIS  60   0.195 -15.798 -13.373
  441    HB3  HIS  60           HB1      HIS  60  -1.542 -15.565 -13.564
  442    HD2  HIS  60           HD2      HIS  60   1.627 -16.007 -15.909
  443    HE1  HIS  60           HE1      HIS  60  -1.858 -16.795 -18.159
  444    HE2  HIS  60           HE2      HIS  60   0.681 -16.813 -18.206
  445    H    HIS  61           HN       HIS  61  -0.187 -14.834 -11.635
  446    HA   HIS  61           HA       HIS  61  -0.806 -14.287  -9.497
  447    HB2  HIS  61           HB2      HIS  61   0.587 -12.238 -10.212
  448    HB3  HIS  61           HB1      HIS  61  -0.965 -11.415 -10.369
  449    HD2  HIS  61           HD2      HIS  61   0.502 -13.714  -7.441
  450    HE1  HIS  61           HE1      HIS  61  -1.301 -10.281  -5.771
  451    HE2  HIS  61           HE2      HIS  61  -0.085 -12.445  -5.235
  452    H    HIS  62           HN       HIS  62  -2.530 -11.757 -11.327
  453    HA   HIS  62           HA       HIS  62  -4.929 -12.051  -9.856
  454    HB2  HIS  62           HB2      HIS  62  -5.900 -10.533 -11.440
  455    HB3  HIS  62           HB1      HIS  62  -4.233 -10.019 -11.178
  456    HD2  HIS  62           HD2      HIS  62  -6.493 -11.186 -14.085
  457    HE1  HIS  62           HE1      HIS  62  -2.545 -11.092 -15.574
  458    HE2  HIS  62           HE2      HIS  62  -4.990 -11.324 -16.216
  459    H    HIS  63           HN       HIS  63  -6.288 -13.710  -9.902
  460    HA   HIS  63           HA       HIS  63  -7.356 -15.625 -10.603
  461    HB2  HIS  63           HB2      HIS  63  -8.381 -13.595 -11.934
  462    HB3  HIS  63           HB1      HIS  63  -7.622 -14.387 -13.315
  463    HD2  HIS  63           HD2      HIS  63 -10.852 -14.668 -11.324
  464    HE1  HIS  63           HE1      HIS  63 -10.386 -18.390 -13.261
  465    HE2  HIS  63           HE2      HIS  63 -12.002 -16.923 -11.964
  466    H    HIS  64           HN       HIS  64  -4.541 -15.704 -10.837
  467    HA   HIS  64           HA       HIS  64  -2.804 -16.734 -11.965
  468    HB2  HIS  64           HB2      HIS  64  -3.255 -19.082 -12.390
  469    HB3  HIS  64           HB1      HIS  64  -4.092 -18.592 -10.918
  470    HD2  HIS  64           HD2      HIS  64  -6.854 -18.942 -11.002
  471    HE1  HIS  64           HE1      HIS  64  -7.178 -19.801 -15.123
  472    HE2  HIS  64           HE2      HIS  64  -8.452 -19.683 -12.929
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  59.749   4.833  -8.333
    2    H2   MET   1           HT2      MET   1  60.780   5.874  -7.476
    3    H3   MET   1           HT3      MET   1  59.576   6.512  -8.490
    4    HA   MET   1           HA       MET   1  59.407   5.776  -5.762
    5    HB2  MET   1           HB2      MET   1  57.227   6.840  -7.566
    6    HB3  MET   1           HB1      MET   1  57.459   7.142  -5.843
    7    HG2  MET   1           HG2      MET   1  59.856   7.985  -6.927
    8    HG3  MET   1           HG1      MET   1  58.687   8.473  -8.155
    9    HE1  MET   1           HE1      MET   1  60.572  10.046  -5.439
   10    HE2  MET   1           HE2      MET   1  59.705  11.530  -5.822
   11    HE3  MET   1           HE3      MET   1  60.269  10.485  -7.125
   12    H    GLU   2           HN       GLU   2  59.477   3.483  -7.648
   13    HA   GLU   2           HA       GLU   2  56.790   2.340  -7.277
   14    HB2  GLU   2           HB2      GLU   2  59.143   1.383  -8.925
   15    HB3  GLU   2           HB1      GLU   2  57.579   0.573  -8.825
   16    HG2  GLU   2           HG2      GLU   2  56.742   1.945 -10.394
   17    HG3  GLU   2           HG1      GLU   2  57.134   3.346  -9.399
   18    H    GLU   3           HN       GLU   3  56.643   1.534  -5.252
   19    HA   GLU   3           HA       GLU   3  57.950  -0.859  -4.563
   20    HB2  GLU   3           HB2      GLU   3  59.484   1.482  -3.997
   21    HB3  GLU   3           HB1      GLU   3  58.946   0.789  -2.466
   22    HG2  GLU   3           HG2      GLU   3  60.291  -0.779  -4.685
   23    HG3  GLU   3           HG1      GLU   3  61.113  -0.174  -3.248
   24    H    GLY   4           HN       GLY   4  57.748  -1.121  -1.973
   25    HA2  GLY   4           HA2      GLY   4  56.406  -0.685  -0.041
   26    HA3  GLY   4           HA1      GLY   4  55.232   0.122  -1.078
   27    H    GLY   5           HN       GLY   5  55.363  -2.375   0.838
   28    HA2  GLY   5           HA2      GLY   5  54.209  -4.379  -0.978
   29    HA3  GLY   5           HA1      GLY   5  54.715  -4.660   0.685
   30    H    ASP   6           HN       ASP   6  53.032  -5.106   1.945
   31    HA   ASP   6           HA       ASP   6  50.711  -3.339   1.941
   32    HB2  ASP   6           HB2      ASP   6  49.215  -5.447   1.935
   33    HB3  ASP   6           HB1      ASP   6  49.839  -4.872   0.390
   34    H    PHE   7           HN       PHE   7  52.405  -3.251   3.923
   35    HA   PHE   7           HA       PHE   7  52.441  -5.102   5.959
   36    HB2  PHE   7           HB2      PHE   7  52.792  -2.202   5.751
   37    HB3  PHE   7           HB1      PHE   7  52.215  -2.722   7.335
   38    HD1  PHE   7           HD1      PHE   7  54.797  -3.507   4.739
   39    HD2  PHE   7           HD2      PHE   7  53.711  -3.647   8.893
   40    HE1  PHE   7           HE1      PHE   7  57.074  -4.309   5.307
   41    HE2  PHE   7           HE2      PHE   7  55.988  -4.448   9.461
   42    HZ   PHE   7           HZ       PHE   7  57.669  -4.780   7.668
   43    H    ASP   8           HN       ASP   8  51.302  -4.650   8.183
   44    HA   ASP   8           HA       ASP   8  48.579  -5.342   7.879
   45    HB2  ASP   8           HB2      ASP   8  48.582  -5.646  10.144
   46    HB3  ASP   8           HB1      ASP   8  50.327  -5.599   9.895
   47    H    ASN   9           HN       ASN   9  49.956  -2.443   7.282
   48    HA   ASN   9           HA       ASN   9  48.405  -0.528   8.593
   49    HB2  ASN   9           HB2      ASN   9  50.416  -0.218   7.000
   50    HB3  ASN   9           HB1      ASN   9  49.216  -0.247   5.708
   51   HD21  ASN   9          HD21      ASN   9  50.389   1.614   8.478
   52   HD22  ASN   9          HD22      ASN   9  49.480   3.009   8.146
   53    H    TYR  10           HN       TYR  10  47.674  -2.552   5.814
   54    HA   TYR  10           HA       TYR  10  45.360  -1.207   4.923
   55    HB2  TYR  10           HB2      TYR  10  46.696  -3.094   3.778
   56    HB3  TYR  10           HB1      TYR  10  45.720  -4.190   4.756
   57    HD1  TYR  10           HD1      TYR  10  45.436  -1.314   2.378
   58    HD2  TYR  10           HD2      TYR  10  43.555  -4.789   4.063
   59    HE1  TYR  10           HE1      TYR  10  43.561  -1.077   0.773
   60    HE2  TYR  10           HE2      TYR  10  41.679  -4.552   2.458
   61    HH   TYR  10           HH       TYR  10  41.624  -3.253  -0.123
   62    H    TYR  11           HN       TYR  11  44.594  -0.715   7.201
   63    HA   TYR  11           HA       TYR  11  43.234  -1.127   9.031
   64    HB2  TYR  11           HB2      TYR  11  41.773  -1.031   6.842
   65    HB3  TYR  11           HB1      TYR  11  41.507  -2.739   7.193
   66    HD1  TYR  11           HD2      TYR  11  41.398   0.647   8.789
   67    HD2  TYR  11           HD1      TYR  11  39.904  -3.381   8.787
   68    HE1  TYR  11           HE2      TYR  11  39.738   1.262  10.525
   69    HE2  TYR  11           HE1      TYR  11  38.243  -2.765  10.523
   70    HH   TYR  11           HH       TYR  11  37.943   0.588  11.670
   71    H    GLY  12           HN       GLY  12  45.338  -2.975   8.935
   72    HA2  GLY  12           HA2      GLY  12  45.974  -5.105   9.588
   73    HA3  GLY  12           HA1      GLY  12  44.693  -4.876  10.775
   74    H    ALA  13           HN       ALA  13  44.899  -5.566   7.273
   75    HA   ALA  13           HA       ALA  13  43.172  -7.913   7.701
   76    HB1  ALA  13           HB1      ALA  13  41.445  -6.917   6.680
   77    HB2  ALA  13           HB2      ALA  13  42.423  -6.808   5.218
   78    HB3  ALA  13           HB3      ALA  13  42.411  -5.474   6.371
   79    H    ASP  14           HN       ASP  14  45.445  -6.156   5.664
   80    HA   ASP  14           HA       ASP  14  45.791  -8.302   3.780
   81    HB2  ASP  14           HB2      ASP  14  47.387  -5.796   4.338
   82    HB3  ASP  14           HB1      ASP  14  47.772  -6.933   3.048
   83    H    ASN  15           HN       ASN  15  47.415  -7.204   6.707
   84    HA   ASN  15           HA       ASN  15  49.760  -8.726   6.532
   85    HB2  ASN  15           HB2      ASN  15  49.879  -7.255   8.288
   86    HB3  ASN  15           HB1      ASN  15  48.192  -7.493   8.742
   87   HD21  ASN  15          HD21      ASN  15  48.220  -8.328  10.841
   88   HD22  ASN  15          HD22      ASN  15  49.202  -9.614  11.354
   89    H    GLN  16           HN       GLN  16  46.491  -9.629   7.358
   90    HA   GLN  16           HA       GLN  16  47.359 -12.298   8.224
   91    HB2  GLN  16           HB2      GLN  16  44.942 -12.603   8.784
   92    HB3  GLN  16           HB1      GLN  16  45.693 -11.253   9.635
   93    HG2  GLN  16           HG2      GLN  16  44.773  -9.676   8.004
   94    HG3  GLN  16           HG1      GLN  16  44.072 -11.007   7.085
   95   HE21  GLN  16          HE21      GLN  16  44.103 -10.988  10.632
   96   HE22  GLN  16          HE22      GLN  16  42.427 -10.791  10.814
   97    H    SER  17           HN       SER  17  46.352 -10.673   5.438
   98    HA   SER  17           HA       SER  17  45.079 -12.993   4.209
   99    HB2  SER  17           HB2      SER  17  44.437 -11.564   2.486
  100    HB3  SER  17           HB1      SER  17  44.465 -10.473   3.868
  101    HG   SER  17           HG       SER  17  45.635  -9.886   1.809
  102    H    GLU  18           HN       GLU  18  47.999 -11.007   3.770
  103    HA   GLU  18           HA       GLU  18  49.084 -12.378   1.582
  104    HB2  GLU  18           HB2      GLU  18  51.164 -11.337   2.140
  105    HB3  GLU  18           HB1      GLU  18  49.894 -10.194   2.578
  106    HG2  GLU  18           HG2      GLU  18  49.995 -11.250   4.924
  107    HG3  GLU  18           HG1      GLU  18  51.516 -11.971   4.401
  108    H    CYS  19           HN       CYS  19  48.761 -13.319   4.876
  109    HA   CYS  19           HA       CYS  19  50.910 -15.206   4.967
  110    HB2  CYS  19           HB2      CYS  19  49.244 -14.114   6.837
  111    HB3  CYS  19           HB1      CYS  19  48.570 -15.735   6.674
  112    HG   CYS  19           HG       CYS  19  50.683 -16.741   7.599
  113    H    GLU  20           HN       GLU  20  47.528 -15.329   4.010
  114    HA   GLU  20           HA       GLU  20  47.657 -18.223   3.599
  115    HB2  GLU  20           HB2      GLU  20  45.375 -16.294   3.112
  116    HB3  GLU  20           HB1      GLU  20  45.279 -18.055   3.091
  117    HG2  GLU  20           HG2      GLU  20  46.469 -17.525   5.536
  118    HG3  GLU  20           HG1      GLU  20  45.295 -16.220   5.373
  119    H    TYR  21           HN       TYR  21  48.069 -15.301   1.858
  120    HA   TYR  21           HA       TYR  21  47.248 -16.022  -0.721
  121    HB2  TYR  21           HB2      TYR  21  47.865 -13.743  -0.247
  122    HB3  TYR  21           HB1      TYR  21  49.503 -14.228   0.196
  123    HD1  TYR  21           HD2      TYR  21  51.047 -15.154  -1.549
  124    HD2  TYR  21           HD1      TYR  21  47.225 -13.459  -2.537
  125    HE1  TYR  21           HE2      TYR  21  51.750 -14.950  -3.919
  126    HE2  TYR  21           HE1      TYR  21  47.928 -13.254  -4.906
  127    HH   TYR  21           HH       TYR  21  51.122 -13.524  -5.904
  128    H    THR  22           HN       THR  22  50.228 -16.712   1.036
  129    HA   THR  22           HA       THR  22  51.607 -17.852  -1.198
  130    HB   THR  22           HB       THR  22  52.956 -18.911   0.811
  131    HG1  THR  22           HG1      THR  22  52.209 -16.776   2.292
  132   HG21  THR  22          HG21      THR  22  52.831 -15.936   0.244
  133   HG22  THR  22          HG22      THR  22  53.777 -17.123  -0.653
  134   HG23  THR  22          HG23      THR  22  54.177 -16.766   1.027
  135    H    ASP  23           HN       ASP  23  49.055 -18.927   0.743
  136    HA   ASP  23           HA       ASP  23  49.679 -21.767   0.273
  137    HB2  ASP  23           HB2      ASP  23  47.980 -20.284   2.215
  138    HB3  ASP  23           HB1      ASP  23  47.428 -21.880   1.712
  139    H    TRP  24           HN       TRP  24  47.070 -19.386  -0.171
  140    HA   TRP  24           HA       TRP  24  45.175 -20.907  -1.452
  141    HB2  TRP  24           HB2      TRP  24  44.389 -18.780  -1.240
  142    HB3  TRP  24           HB1      TRP  24  45.968 -18.056  -1.545
  143    HD1  TRP  24           HD1      TRP  24  42.985 -19.609  -3.395
  144    HE1  TRP  24           HE1      TRP  24  43.007 -18.772  -5.834
  145    HE3  TRP  24           HE3      TRP  24  47.409 -17.058  -3.412
  146    HZ2  TRP  24           HZ2      TRP  24  44.680 -17.225  -7.562
  147    HZ3  TRP  24           HZ3      TRP  24  48.192 -15.914  -5.465
  148    HH2  TRP  24           HH2      TRP  24  46.835 -15.993  -7.538
  149    H    LYS  25           HN       LYS  25  47.938 -19.247  -2.977
  150    HA   LYS  25           HA       LYS  25  47.523 -19.893  -5.617
  151    HB2  LYS  25           HB2      LYS  25  49.429 -18.536  -4.611
  152    HB3  LYS  25           HB1      LYS  25  50.240 -20.073  -4.311
  153    HG2  LYS  25           HG2      LYS  25  49.948 -20.610  -6.760
  154    HG3  LYS  25           HG1      LYS  25  49.371 -18.960  -6.991
  155    HD2  LYS  25           HD2      LYS  25  51.494 -18.082  -6.101
  156    HD3  LYS  25           HD1      LYS  25  52.076 -19.730  -5.856
  157    HE2  LYS  25           HE2      LYS  25  52.751 -19.840  -7.998
  158    HE3  LYS  25           HE1      LYS  25  51.118 -19.471  -8.553
  159    HZ1  LYS  25           HZ1      LYS  25  53.328 -17.607  -7.959
  160    HZ2  LYS  25           HZ2      LYS  25  51.714 -17.076  -7.964
  161    HZ3  LYS  25           HZ3      LYS  25  52.398 -17.736  -9.372
  162    H    SER  26           HN       SER  26  48.620 -21.969  -3.015
  163    HA   SER  26           HA       SER  26  49.178 -24.173  -4.856
  164    HB2  SER  26           HB2      SER  26  49.264 -24.219  -1.837
  165    HB3  SER  26           HB1      SER  26  50.037 -25.339  -2.955
  166    HG   SER  26           HG       SER  26  51.634 -23.993  -3.113
  167    H    SER  27           HN       SER  27  46.967 -23.397  -2.179
  168    HA   SER  27           HA       SER  27  45.464 -25.835  -2.486
  169    HB2  SER  27           HB2      SER  27  44.592 -23.335  -1.035
  170    HB3  SER  27           HB1      SER  27  44.059 -24.990  -0.753
  171    HG   SER  27           HG       SER  27  46.604 -23.837  -0.267
  172    H    GLY  28           HN       GLY  28  45.731 -23.325  -4.500
  173    HA2  GLY  28           HA2      GLY  28  42.911 -22.880  -5.074
  174    HA3  GLY  28           HA1      GLY  28  44.280 -22.167  -5.924
  175    H    ALA  29           HN       ALA  29  45.180 -25.237  -5.801
  176    HA   ALA  29           HA       ALA  29  44.114 -25.818  -8.469
  177    HB1  ALA  29           HB1      ALA  29  45.953 -27.193  -8.785
  178    HB2  ALA  29           HB2      ALA  29  46.099 -27.567  -7.068
  179    HB3  ALA  29           HB3      ALA  29  46.622 -25.997  -7.675
  180    H    LEU  30           HN       LEU  30  42.225 -26.007  -6.446
  181    HA   LEU  30           HA       LEU  30  41.241 -28.645  -6.836
  182    HB2  LEU  30           HB2      LEU  30  41.325 -29.453  -4.527
  183    HB3  LEU  30           HB1      LEU  30  42.955 -29.176  -5.142
  184    HG   LEU  30           HG       LEU  30  42.247 -26.712  -4.075
  185   HD11  LEU  30          HD11      LEU  30  40.268 -27.737  -3.013
  186   HD12  LEU  30          HD12      LEU  30  41.444 -27.234  -1.799
  187   HD13  LEU  30          HD13      LEU  30  41.304 -28.935  -2.237
  188   HD21  LEU  30          HD21      LEU  30  44.443 -27.641  -3.824
  189   HD22  LEU  30          HD22      LEU  30  43.820 -29.050  -2.965
  190   HD23  LEU  30          HD23      LEU  30  43.801 -27.465  -2.191
  191    H    ILE  31           HN       ILE  31  41.113 -25.564  -5.172
  192    HA   ILE  31           HA       ILE  31  38.473 -25.898  -4.134
  193    HB   ILE  31           HB       ILE  31  40.330 -23.562  -4.444
  194   HG12  ILE  31          HG12      ILE  31  38.848 -24.654  -2.042
  195   HG13  ILE  31          HG11      ILE  31  40.428 -25.254  -2.547
  196   HG21  ILE  31          HG21      ILE  31  37.366 -23.522  -3.893
  197   HG22  ILE  31          HG22      ILE  31  38.302 -22.472  -4.957
  198   HG23  ILE  31          HG23      ILE  31  38.431 -22.295  -3.208
  199   HD11  ILE  31          HD11      ILE  31  40.404 -23.388  -0.770
  200   HD12  ILE  31          HD12      ILE  31  39.931 -22.312  -2.087
  201   HD13  ILE  31          HD13      ILE  31  41.474 -23.163  -2.154
  202    HA   PRO  32           HA       PRO  32  37.434 -23.249  -8.144
  203    HB2  PRO  32           HB2      PRO  32  39.039 -24.839 -10.070
  204    HB3  PRO  32           HB1      PRO  32  38.761 -23.089 -10.006
  205    HG2  PRO  32           HG2      PRO  32  41.105 -24.163  -9.323
  206    HG3  PRO  32           HG1      PRO  32  40.450 -22.739  -8.498
  207    HD2  PRO  32           HD2      PRO  32  40.552 -25.580  -7.561
  208    HD3  PRO  32           HD1      PRO  32  40.732 -24.079  -6.632
  209    H    ALA  33           HN       ALA  33  38.143 -26.685  -7.995
  210    HA   ALA  33           HA       ALA  33  36.315 -27.681  -9.854
  211    HB1  ALA  33           HB1      ALA  33  37.281 -28.832  -7.231
  212    HB2  ALA  33           HB2      ALA  33  37.905 -29.169  -8.846
  213    HB3  ALA  33           HB3      ALA  33  36.299 -29.733  -8.385
  214    H    ILE  34           HN       ILE  34  35.781 -27.653  -6.323
  215    HA   ILE  34           HA       ILE  34  33.062 -28.163  -6.358
  216    HB   ILE  34           HB       ILE  34  34.869 -26.735  -4.444
  217   HG12  ILE  34          HG12      ILE  34  34.448 -29.328  -4.807
  218   HG13  ILE  34          HG11      ILE  34  34.640 -28.671  -3.183
  219   HG21  ILE  34          HG21      ILE  34  32.789 -26.706  -2.897
  220   HG22  ILE  34          HG22      ILE  34  31.852 -26.778  -4.389
  221   HG23  ILE  34          HG23      ILE  34  32.940 -25.421  -4.094
  222   HD11  ILE  34          HD11      ILE  34  32.320 -28.747  -2.749
  223   HD12  ILE  34          HD12      ILE  34  32.631 -30.250  -3.615
  224   HD13  ILE  34          HD13      ILE  34  31.913 -28.881  -4.459
  225    H    TYR  35           HN       TYR  35  34.736 -25.051  -6.605
  226    HA   TYR  35           HA       TYR  35  32.493 -23.368  -6.515
  227    HB2  TYR  35           HB2      TYR  35  35.292 -23.144  -7.195
  228    HB3  TYR  35           HB1      TYR  35  34.307 -22.212  -8.324
  229    HD1  TYR  35           HD1      TYR  35  34.794 -22.856  -4.670
  230    HD2  TYR  35           HD2      TYR  35  33.428 -20.123  -7.690
  231    HE1  TYR  35           HE1      TYR  35  34.461 -21.110  -2.941
  232    HE2  TYR  35           HE2      TYR  35  33.096 -18.377  -5.961
  233    HH   TYR  35           HH       TYR  35  34.423 -18.255  -3.197
  234    H    MET  36           HN       MET  36  34.273 -24.407  -9.436
  235    HA   MET  36           HA       MET  36  32.343 -23.516 -11.273
  236    HB2  MET  36           HB2      MET  36  34.691 -25.329 -11.349
  237    HB3  MET  36           HB1      MET  36  33.509 -25.515 -12.647
  238    HG2  MET  36           HG2      MET  36  34.667 -22.837 -11.842
  239    HG3  MET  36           HG1      MET  36  35.357 -23.842 -13.118
  240    HE1  MET  36           HE1      MET  36  34.042 -20.772 -13.180
  241    HE2  MET  36           HE2      MET  36  32.859 -21.348 -12.009
  242    HE3  MET  36           HE3      MET  36  32.317 -20.739 -13.570
  243    H    LEU  37           HN       LEU  37  32.975 -26.833 -10.113
  244    HA   LEU  37           HA       LEU  37  30.967 -28.197 -11.383
  245    HB2  LEU  37           HB2      LEU  37  32.705 -29.130  -9.784
  246    HB3  LEU  37           HB1      LEU  37  31.637 -28.633  -8.470
  247    HG   LEU  37           HG       LEU  37  29.898 -29.943 -10.151
  248   HD11  LEU  37          HD11      LEU  37  30.993 -32.054 -10.773
  249   HD12  LEU  37          HD12      LEU  37  32.529 -31.454 -10.148
  250   HD13  LEU  37          HD13      LEU  37  31.795 -30.695 -11.560
  251   HD21  LEU  37          HD21      LEU  37  30.120 -31.819  -8.488
  252   HD22  LEU  37          HD22      LEU  37  29.969 -30.230  -7.740
  253   HD23  LEU  37          HD23      LEU  37  31.547 -31.011  -7.839
  254    H    VAL  38           HN       VAL  38  30.694 -25.947  -8.726
  255    HA   VAL  38           HA       VAL  38  27.840 -26.560  -8.396
  256    HB   VAL  38           HB       VAL  38  29.758 -24.819  -6.835
  257   HG11  VAL  38          HG11      VAL  38  27.770 -23.613  -6.611
  258   HG12  VAL  38          HG12      VAL  38  27.644 -24.755  -5.273
  259   HG13  VAL  38          HG13      VAL  38  26.763 -25.051  -6.771
  260   HG21  VAL  38          HG21      VAL  38  28.125 -27.224  -5.978
  261   HG22  VAL  38          HG22      VAL  38  29.443 -26.453  -5.097
  262   HG23  VAL  38          HG23      VAL  38  29.779 -27.352  -6.576
  263    H    PHE  39           HN       PHE  39  29.882 -24.439 -10.081
  264    HA   PHE  39           HA       PHE  39  28.049 -22.195 -10.151
  265    HB2  PHE  39           HB2      PHE  39  30.639 -22.148 -10.381
  266    HB3  PHE  39           HB1      PHE  39  30.334 -22.590 -12.061
  267    HD1  PHE  39           HD1      PHE  39  29.067 -21.085 -13.554
  268    HD2  PHE  39           HD2      PHE  39  30.025 -19.968  -9.519
  269    HE1  PHE  39           HE1      PHE  39  28.514 -18.725 -14.076
  270    HE2  PHE  39           HE2      PHE  39  29.474 -17.608 -10.041
  271    HZ   PHE  39           HZ       PHE  39  28.718 -16.986 -12.319
  272    H    LEU  40           HN       LEU  40  29.299 -24.501 -12.580
  273    HA   LEU  40           HA       LEU  40  27.386 -23.727 -14.558
  274    HB2  LEU  40           HB2      LEU  40  28.178 -25.876 -15.684
  275    HB3  LEU  40           HB1      LEU  40  29.409 -24.653 -15.374
  276    HG   LEU  40           HG       LEU  40  29.105 -26.414 -13.084
  277   HD11  LEU  40          HD11      LEU  40  29.986 -28.455 -14.135
  278   HD12  LEU  40          HD12      LEU  40  29.886 -27.694 -15.722
  279   HD13  LEU  40          HD13      LEU  40  28.413 -28.044 -14.817
  280   HD21  LEU  40          HD21      LEU  40  31.031 -24.898 -13.643
  281   HD22  LEU  40          HD22      LEU  40  31.429 -25.973 -14.983
  282   HD23  LEU  40          HD23      LEU  40  31.520 -26.561 -13.324
  283    H    LEU  41           HN       LEU  41  26.979 -25.371 -11.728
  284    HA   LEU  41           HA       LEU  41  24.638 -26.843 -12.786
  285    HB2  LEU  41           HB2      LEU  41  26.405 -27.639 -10.459
  286    HB3  LEU  41           HB1      LEU  41  24.967 -28.503 -11.002
  287    HG   LEU  41           HG       LEU  41  27.451 -28.020 -12.678
  288   HD11  LEU  41          HD11      LEU  41  26.758 -30.782 -12.131
  289   HD12  LEU  41          HD12      LEU  41  27.011 -29.892 -10.630
  290   HD13  LEU  41          HD13      LEU  41  28.283 -29.942 -11.852
  291   HD21  LEU  41          HD21      LEU  41  26.168 -29.954 -13.981
  292   HD22  LEU  41          HD22      LEU  41  25.779 -28.259 -14.270
  293   HD23  LEU  41          HD23      LEU  41  24.759 -29.229 -13.208
  294    H    GLY  42           HN       GLY  42  25.693 -24.313 -10.916
  295    HA2  GLY  42           HA2      GLY  42  23.142 -24.261  -9.424
  296    HA3  GLY  42           HA1      GLY  42  24.659 -23.886  -8.611
  297    H    THR  43           HN       THR  43  24.840 -22.865 -11.784
  298    HA   THR  43           HA       THR  43  23.543 -20.289 -11.391
  299    HB   THR  43           HB       THR  43  26.488 -20.277 -12.008
  300    HG1  THR  43           HG1      THR  43  26.942 -20.288  -9.929
  301   HG21  THR  43          HG21      THR  43  24.591 -18.345 -12.201
  302   HG22  THR  43          HG22      THR  43  26.286 -18.010 -11.843
  303   HG23  THR  43          HG23      THR  43  25.110 -18.109 -10.532
  304    H    THR  44           HN       THR  44  23.447 -22.627 -13.234
  305    HA   THR  44           HA       THR  44  23.852 -21.140 -15.757
  306    HB   THR  44           HB       THR  44  24.609 -23.964 -15.068
  307    HG1  THR  44           HG1      THR  44  25.989 -21.935 -15.284
  308   HG21  THR  44          HG21      THR  44  24.862 -24.179 -17.648
  309   HG22  THR  44          HG22      THR  44  23.664 -22.886 -17.716
  310   HG23  THR  44          HG23      THR  44  23.265 -24.420 -16.941
  311    H    GLY  45           HN       GLY  45  22.172 -23.840 -14.172
  312    HA2  GLY  45           HA2      GLY  45  19.817 -23.290 -15.887
  313    HA3  GLY  45           HA1      GLY  45  20.280 -24.915 -15.390
  314    H    ASN  46           HN       ASN  46  20.970 -22.820 -12.906
  315    HA   ASN  46           HA       ASN  46  18.492 -23.567 -11.497
  316    HB2  ASN  46           HB2      ASN  46  21.284 -22.926 -10.582
  317    HB3  ASN  46           HB1      ASN  46  19.924 -22.850  -9.464
  318   HD21  ASN  46          HD21      ASN  46  21.644 -25.078 -11.683
  319   HD22  ASN  46          HD22      ASN  46  21.145 -26.494 -10.891
  320    H    GLY  47           HN       GLY  47  20.751 -20.832 -11.853
  321    HA2  GLY  47           HA2      GLY  47  19.103 -18.937 -10.532
  322    HA3  GLY  47           HA1      GLY  47  20.446 -18.562 -11.607
  323    H    LEU  48           HN       LEU  48  19.623 -19.656 -13.983
  324    HA   LEU  48           HA       LEU  48  17.973 -17.691 -15.070
  325    HB2  LEU  48           HB2      LEU  48  19.507 -19.187 -16.366
  326    HB3  LEU  48           HB1      LEU  48  18.357 -20.500 -16.132
  327    HG   LEU  48           HG       LEU  48  16.601 -19.129 -17.255
  328   HD11  LEU  48          HD11      LEU  48  18.851 -17.161 -17.291
  329   HD12  LEU  48          HD12      LEU  48  17.120 -16.886 -17.100
  330   HD13  LEU  48          HD13      LEU  48  17.789 -17.213 -18.698
  331   HD21  LEU  48          HD21      LEU  48  19.147 -19.508 -18.861
  332   HD22  LEU  48          HD22      LEU  48  17.521 -19.371 -19.529
  333   HD23  LEU  48          HD23      LEU  48  17.950 -20.760 -18.531
  334    H    VAL  49           HN       VAL  49  17.157 -21.023 -14.110
  335    HA   VAL  49           HA       VAL  49  14.438 -20.937 -14.816
  336    HB   VAL  49           HB       VAL  49  16.011 -22.560 -12.831
  337   HG11  VAL  49          HG11      VAL  49  13.033 -22.381 -13.204
  338   HG12  VAL  49          HG12      VAL  49  13.958 -22.554 -11.712
  339   HG13  VAL  49          HG13      VAL  49  13.770 -23.931 -12.799
  340   HG21  VAL  49          HG21      VAL  49  15.955 -24.188 -14.463
  341   HG22  VAL  49          HG22      VAL  49  15.821 -22.770 -15.504
  342   HG23  VAL  49          HG23      VAL  49  14.376 -23.679 -15.062
  343    H    LEU  50           HN       LEU  50  15.630 -20.935 -11.458
  344    HA   LEU  50           HA       LEU  50  13.406 -20.083 -10.151
  345    HB2  LEU  50           HB2      LEU  50  16.312 -19.473  -9.677
  346    HB3  LEU  50           HB1      LEU  50  15.071 -18.816  -8.612
  347    HG   LEU  50           HG       LEU  50  14.928 -21.725  -9.267
  348   HD11  LEU  50          HD11      LEU  50  17.026 -20.416  -7.538
  349   HD12  LEU  50          HD12      LEU  50  17.233 -21.682  -8.748
  350   HD13  LEU  50          HD13      LEU  50  16.463 -22.054  -7.205
  351   HD21  LEU  50          HD21      LEU  50  13.331 -20.294  -7.795
  352   HD22  LEU  50          HD22      LEU  50  14.623 -20.356  -6.596
  353   HD23  LEU  50          HD23      LEU  50  13.871 -21.849  -7.159
  354    H    TRP  51           HN       TRP  51  15.490 -18.164 -12.197
  355    HA   TRP  51           HA       TRP  51  14.360 -15.631 -11.397
  356    HB2  TRP  51           HB2      TRP  51  16.636 -15.665 -12.215
  357    HB3  TRP  51           HB1      TRP  51  16.125 -16.420 -13.725
  358    HD1  TRP  51           HD1      TRP  51  16.137 -13.100 -11.874
  359    HE1  TRP  51           HE1      TRP  51  15.450 -11.226 -13.506
  360    HE3  TRP  51           HE3      TRP  51  14.733 -15.905 -15.904
  361    HZ2  TRP  51           HZ2      TRP  51  14.440 -10.952 -16.167
  362    HZ3  TRP  51           HZ3      TRP  51  13.912 -14.813 -17.972
  363    HH2  TRP  51           HH2      TRP  51  13.764 -12.342 -18.108
  364    H    THR  52           HN       THR  52  14.167 -17.674 -14.314
  365    HA   THR  52           HA       THR  52  12.310 -16.105 -15.715
  366    HB   THR  52           HB       THR  52  13.031 -19.024 -15.795
  367    HG1  THR  52           HG1      THR  52  13.282 -16.803 -17.537
  368   HG21  THR  52          HG21      THR  52  11.589 -18.941 -17.968
  369   HG22  THR  52          HG22      THR  52  10.764 -17.604 -17.167
  370   HG23  THR  52          HG23      THR  52  10.782 -19.202 -16.422
  371    H    VAL  53           HN       VAL  53  11.821 -18.812 -13.464
  372    HA   VAL  53           HA       VAL  53   9.039 -19.023 -13.681
  373    HB   VAL  53           HB       VAL  53  10.994 -19.638 -11.482
  374   HG11  VAL  53          HG11      VAL  53   9.132 -19.086 -10.159
  375   HG12  VAL  53          HG12      VAL  53   8.907 -20.812 -10.444
  376   HG13  VAL  53          HG13      VAL  53   7.983 -19.637 -11.379
  377   HG21  VAL  53          HG21      VAL  53  10.766 -21.814 -12.214
  378   HG22  VAL  53          HG22      VAL  53  10.391 -20.986 -13.725
  379   HG23  VAL  53          HG23      VAL  53   9.086 -21.585 -12.700
  380    H    PHE  54           HN       PHE  54  10.972 -17.142 -11.347
  381    HA   PHE  54           HA       PHE  54   8.904 -15.959  -9.923
  382    HB2  PHE  54           HB2      PHE  54  11.727 -15.547 -10.260
  383    HB3  PHE  54           HB1      PHE  54  10.907 -13.985 -10.260
  384    HD1  PHE  54           HD1      PHE  54  10.436 -17.259  -8.473
  385    HD2  PHE  54           HD2      PHE  54  10.827 -12.992  -8.152
  386    HE1  PHE  54           HE1      PHE  54  10.147 -17.416  -6.015
  387    HE2  PHE  54           HE2      PHE  54  10.539 -13.150  -5.695
  388    HZ   PHE  54           HZ       PHE  54  10.199 -15.362  -4.626
  389    H    ARG  55           HN       ARG  55  10.003 -15.335 -13.156
  390    HA   ARG  55           HA       ARG  55   8.504 -12.833 -13.345
  391    HB2  ARG  55           HB2      ARG  55  10.748 -13.978 -14.702
  392    HB3  ARG  55           HB1      ARG  55   9.473 -13.700 -15.880
  393    HG2  ARG  55           HG2      ARG  55  10.776 -11.683 -15.773
  394    HG3  ARG  55           HG1      ARG  55   9.246 -11.352 -14.971
  395    HD2  ARG  55           HD2      ARG  55  11.410 -10.558 -13.803
  396    HD3  ARG  55           HD1      ARG  55  10.228 -11.410 -12.820
  397    HE   ARG  55           HE       ARG  55  12.270 -13.109 -13.989
  398   HH11  ARG  55          HH21      ARG  55  11.295 -11.101 -11.344
  399   HH12  ARG  55          HH22      ARG  55  12.357 -11.854 -10.203
  400   HH21  ARG  55          HH11      ARG  55  13.667 -14.099 -12.497
  401   HH22  ARG  55          HH12      ARG  55  13.701 -13.550 -10.854
  402    H    LYS  56           HN       LYS  56   8.034 -16.168 -13.853
  403    HA   LYS  56           HA       LYS  56   5.827 -15.692 -15.742
  404    HB2  LYS  56           HB2      LYS  56   6.184 -17.774 -16.565
  405    HB3  LYS  56           HB1      LYS  56   7.759 -17.604 -15.797
  406    HG2  LYS  56           HG2      LYS  56   6.725 -18.639 -13.708
  407    HG3  LYS  56           HG1      LYS  56   5.308 -19.014 -14.690
  408    HD2  LYS  56           HD2      LYS  56   8.043 -19.865 -15.625
  409    HD3  LYS  56           HD1      LYS  56   7.178 -20.821 -14.426
  410    HE2  LYS  56           HE2      LYS  56   6.097 -20.035 -17.148
  411    HE3  LYS  56           HE1      LYS  56   6.713 -21.629 -16.711
  412    HZ1  LYS  56           HZ1      LYS  56   4.700 -22.118 -15.974
  413    HZ2  LYS  56           HZ2      LYS  56   4.149 -20.536 -16.261
  414    HZ3  LYS  56           HZ3      LYS  56   4.865 -20.933 -14.771
  415    H    LYS  57           HN       LYS  57   6.511 -16.406 -12.456
  416    HA   LYS  57           HA       LYS  57   3.703 -17.180 -11.964
  417    HB2  LYS  57           HB2      LYS  57   5.711 -18.606 -11.141
  418    HB3  LYS  57           HB1      LYS  57   5.911 -17.343  -9.926
  419    HG2  LYS  57           HG2      LYS  57   3.245 -17.749  -9.721
  420    HG3  LYS  57           HG1      LYS  57   3.754 -19.363 -10.217
  421    HD2  LYS  57           HD2      LYS  57   4.862 -17.794  -7.870
  422    HD3  LYS  57           HD1      LYS  57   3.784 -19.186  -7.769
  423    HE2  LYS  57           HE2      LYS  57   5.709 -20.387  -7.602
  424    HE3  LYS  57           HE1      LYS  57   5.789 -20.174  -9.352
  425    HZ1  LYS  57           HZ1      LYS  57   7.401 -18.620  -9.186
  426    HZ2  LYS  57           HZ2      LYS  57   7.740 -19.441  -7.737
  427    HZ3  LYS  57           HZ3      LYS  57   6.833 -18.004  -7.711
  428    H    GLY  58           HN       GLY  58   5.863 -14.599 -11.787
  429    HA2  GLY  58           HA2      GLY  58   4.712 -13.321  -9.453
  430    HA3  GLY  58           HA1      GLY  58   5.914 -12.632 -10.539
  431    H    HIS  59           HN       HIS  59   4.385 -13.162 -12.956
  432    HA   HIS  59           HA       HIS  59   3.106 -10.797 -13.401
  433    HB2  HIS  59           HB2      HIS  59   2.039 -11.801 -15.278
  434    HB3  HIS  59           HB1      HIS  59   3.561 -12.665 -15.070
  435    HD2  HIS  59           HD2      HIS  59  -0.204 -13.286 -13.881
  436    HE1  HIS  59           HE1      HIS  59   1.673 -16.997 -14.602
  437    HE2  HIS  59           HE2      HIS  59  -0.505 -15.878 -13.929
  438    H    HIS  60           HN       HIS  60   1.824 -13.626 -11.763
  439    HA   HIS  60           HA       HIS  60  -0.896 -12.807 -11.691
  440    HB2  HIS  60           HB2      HIS  60  -0.040 -15.135 -11.243
  441    HB3  HIS  60           HB1      HIS  60   0.528 -14.555  -9.677
  442    HD2  HIS  60           HD2      HIS  60  -3.017 -13.793 -11.330
  443    HE1  HIS  60           HE1      HIS  60  -3.600 -15.578  -7.550
  444    HE2  HIS  60           HE2      HIS  60  -4.772 -14.532  -9.545
  445    H    HIS  61           HN       HIS  61  -0.377 -13.439  -8.552
  446    HA   HIS  61           HA       HIS  61  -0.541 -10.592  -7.831
  447    HB2  HIS  61           HB2      HIS  61  -1.238 -13.092  -6.274
  448    HB3  HIS  61           HB1      HIS  61  -1.394 -11.448  -5.657
  449    HD2  HIS  61           HD2      HIS  61  -2.787 -10.050  -8.311
  450    HE1  HIS  61           HE1      HIS  61  -5.718 -13.060  -7.894
  451    HE2  HIS  61           HE2      HIS  61  -5.201 -10.810  -8.952
  452    H    HIS  62           HN       HIS  62   0.203 -10.736  -5.177
  453    HA   HIS  62           HA       HIS  62   3.098 -10.855  -5.437
  454    HB2  HIS  62           HB2      HIS  62   1.351 -10.026  -3.106
  455    HB3  HIS  62           HB1      HIS  62   3.103  -9.833  -3.197
  456    HD2  HIS  62           HD2      HIS  62   3.920  -8.039  -5.415
  457    HE1  HIS  62           HE1      HIS  62   0.183  -6.073  -5.481
  458    HE2  HIS  62           HE2      HIS  62   2.592  -5.963  -6.279
  459    H    HIS  63           HN       HIS  63   4.335 -12.488  -4.766
  460    HA   HIS  63           HA       HIS  63   4.840 -14.618  -4.030
  461    HB2  HIS  63           HB2      HIS  63   4.765 -14.807  -1.629
  462    HB3  HIS  63           HB1      HIS  63   5.128 -13.129  -2.033
  463    HD2  HIS  63           HD2      HIS  63   3.137 -11.272  -1.294
  464    HE1  HIS  63           HE1      HIS  63   0.466 -14.072   0.391
  465    HE2  HIS  63           HE2      HIS  63   0.946 -11.597   0.087
  466    H    HIS  64           HN       HIS  64   2.419 -14.520  -5.457
  467    HA   HIS  64           HA       HIS  64   0.394 -15.589  -5.746
  468    HB2  HIS  64           HB2      HIS  64   2.183 -17.343  -6.075
  469    HB3  HIS  64           HB1      HIS  64   1.873 -17.865  -4.420
  470    HD2  HIS  64           HD2      HIS  64   0.888 -20.290  -5.897
  471    HE1  HIS  64           HE1      HIS  64  -2.822 -18.453  -6.730
  472    HE2  HIS  64           HE2      HIS  64  -1.571 -20.664  -6.691
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  42.818   4.760  -5.882
    2    H2   MET   1           HT2      MET   1  42.323   4.046  -4.422
    3    H3   MET   1           HT3      MET   1  41.188   4.353  -5.649
    4    HA   MET   1           HA       MET   1  42.063   2.689  -7.042
    5    HB2  MET   1           HB2      MET   1  44.116   1.473  -6.457
    6    HB3  MET   1           HB1      MET   1  44.443   3.202  -6.572
    7    HG2  MET   1           HG2      MET   1  45.386   2.948  -4.520
    8    HG3  MET   1           HG1      MET   1  43.721   2.954  -3.937
    9    HE1  MET   1           HE1      MET   1  46.161   1.798  -2.487
   10    HE2  MET   1           HE2      MET   1  46.989   1.142  -3.897
   11    HE3  MET   1           HE3      MET   1  46.465   0.061  -2.609
   12    H    GLU   2           HN       GLU   2  40.889   3.098  -4.040
   13    HA   GLU   2           HA       GLU   2  39.872   0.372  -3.919
   14    HB2  GLU   2           HB2      GLU   2  42.115   0.943  -2.429
   15    HB3  GLU   2           HB1      GLU   2  40.809   1.248  -1.282
   16    HG2  GLU   2           HG2      GLU   2  41.358  -1.077  -1.081
   17    HG3  GLU   2           HG1      GLU   2  39.835  -0.995  -1.964
   18    H    GLU   3           HN       GLU   3  38.149   0.160  -2.273
   19    HA   GLU   3           HA       GLU   3  37.064   2.420  -0.945
   20    HB2  GLU   3           HB2      GLU   3  36.612   2.911  -3.435
   21    HB3  GLU   3           HB1      GLU   3  35.435   1.600  -3.341
   22    HG2  GLU   3           HG2      GLU   3  34.801   3.022  -1.100
   23    HG3  GLU   3           HG1      GLU   3  35.332   4.314  -2.173
   24    H    GLY   4           HN       GLY   4  36.835   0.973   0.751
   25    HA2  GLY   4           HA2      GLY   4  34.414  -0.332   1.093
   26    HA3  GLY   4           HA1      GLY   4  35.540  -1.558   0.516
   27    H    GLY   5           HN       GLY   5  35.376   1.067   2.930
   28    HA2  GLY   5           HA2      GLY   5  36.301   1.241   5.040
   29    HA3  GLY   5           HA1      GLY   5  35.720  -0.412   5.216
   30    H    ASP   6           HN       ASP   6  37.694  -0.420   6.668
   31    HA   ASP   6           HA       ASP   6  39.795  -1.241   7.097
   32    HB2  ASP   6           HB2      ASP   6  38.939  -2.939   5.347
   33    HB3  ASP   6           HB1      ASP   6  39.980  -2.081   4.214
   34    H    PHE   7           HN       PHE   7  39.836   1.379   6.813
   35    HA   PHE   7           HA       PHE   7  41.532   2.329   4.702
   36    HB2  PHE   7           HB2      PHE   7  41.090   3.740   7.325
   37    HB3  PHE   7           HB1      PHE   7  41.366   4.440   5.730
   38    HD1  PHE   7           HD2      PHE   7  39.586   4.107   3.929
   39    HD2  PHE   7           HD1      PHE   7  38.898   3.268   8.085
   40    HE1  PHE   7           HE2      PHE   7  37.138   4.187   3.540
   41    HE2  PHE   7           HE1      PHE   7  36.450   3.349   7.697
   42    HZ   PHE   7           HZ       PHE   7  35.569   3.808   5.423
   43    H    ASP   8           HN       ASP   8  42.810   0.158   5.759
   44    HA   ASP   8           HA       ASP   8  45.214   1.404   6.899
   45    HB2  ASP   8           HB2      ASP   8  43.789  -1.005   8.042
   46    HB3  ASP   8           HB1      ASP   8  45.447  -0.566   8.450
   47    H    ASN   9           HN       ASN   9  43.975  -0.177   4.417
   48    HA   ASN   9           HA       ASN   9  45.423  -2.503   3.986
   49    HB2  ASN   9           HB2      ASN   9  43.991  -0.566   2.348
   50    HB3  ASN   9           HB1      ASN   9  45.361  -1.275   1.496
   51   HD21  ASN   9          HD21      ASN   9  45.483  -3.811   1.799
   52   HD22  ASN   9          HD22      ASN   9  44.000  -4.632   1.709
   53    H    TYR  10           HN       TYR  10  47.212  -2.706   2.284
   54    HA   TYR  10           HA       TYR  10  49.450  -2.462   1.839
   55    HB2  TYR  10           HB2      TYR  10  48.254  -0.391   0.759
   56    HB3  TYR  10           HB1      TYR  10  49.116   0.506   2.009
   57    HD1  TYR  10           HD2      TYR  10  51.580   0.531   2.078
   58    HD2  TYR  10           HD1      TYR  10  49.443  -1.502  -1.045
   59    HE1  TYR  10           HE2      TYR  10  53.663   0.399   0.738
   60    HE2  TYR  10           HE1      TYR  10  51.526  -1.633  -2.385
   61    HH   TYR  10           HH       TYR  10  53.799  -1.431  -2.270
   62    H    TYR  11           HN       TYR  11  50.771  -3.088   3.426
   63    HA   TYR  11           HA       TYR  11  52.337  -2.815   5.113
   64    HB2  TYR  11           HB2      TYR  11  52.087  -0.271   4.323
   65    HB3  TYR  11           HB1      TYR  11  51.323  -0.132   5.907
   66    HD1  TYR  11           HD2      TYR  11  54.407  -1.327   4.178
   67    HD2  TYR  11           HD1      TYR  11  52.618  -0.114   7.890
   68    HE1  TYR  11           HE2      TYR  11  56.639  -1.340   5.258
   69    HE2  TYR  11           HE1      TYR  11  54.850  -0.127   8.970
   70    HH   TYR  11           HH       TYR  11  57.763  -1.097   7.156
   71    H    GLY  12           HN       GLY  12  49.844  -4.049   5.462
   72    HA2  GLY  12           HA2      GLY  12  49.623  -4.684   8.041
   73    HA3  GLY  12           HA1      GLY  12  48.760  -3.148   8.016
   74    H    ALA  13           HN       ALA  13  48.734  -5.201   5.228
   75    HA   ALA  13           HA       ALA  13  45.983  -6.086   5.860
   76    HB1  ALA  13           HB1      ALA  13  46.865  -4.341   3.742
   77    HB2  ALA  13           HB2      ALA  13  45.225  -4.836   4.163
   78    HB3  ALA  13           HB3      ALA  13  46.188  -5.822   3.062
   79    H    ASP  14           HN       ASP  14  49.079  -6.743   4.409
   80    HA   ASP  14           HA       ASP  14  48.206  -9.340   3.386
   81    HB2  ASP  14           HB2      ASP  14  50.825  -7.841   3.273
   82    HB3  ASP  14           HB1      ASP  14  50.645  -9.495   2.692
   83    H    ASN  15           HN       ASN  15  50.044  -7.948   6.026
   84    HA   ASN  15           HA       ASN  15  51.436 -10.154   6.970
   85    HB2  ASN  15           HB2      ASN  15  51.834  -8.078   8.036
   86    HB3  ASN  15           HB1      ASN  15  50.127  -7.851   8.408
   87   HD21  ASN  15          HD21      ASN  15  49.186  -9.659   9.914
   88   HD22  ASN  15          HD22      ASN  15  50.203 -10.199  11.161
   89    H    GLN  16           HN       GLN  16  48.022  -9.457   7.099
   90    HA   GLN  16           HA       GLN  16  47.509 -11.648   8.967
   91    HB2  GLN  16           HB2      GLN  16  45.334 -10.821   9.153
   92    HB3  GLN  16           HB1      GLN  16  46.277  -9.352   8.892
   93    HG2  GLN  16           HG2      GLN  16  45.814  -9.813   6.360
   94    HG3  GLN  16           HG1      GLN  16  44.500 -10.822   6.963
   95   HE21  GLN  16          HE21      GLN  16  45.829  -7.556   7.782
   96   HE22  GLN  16          HE22      GLN  16  44.309  -6.801   7.836
   97    H    SER  17           HN       SER  17  47.687 -11.082   5.600
   98    HA   SER  17           HA       SER  17  45.914 -13.285   4.889
   99    HB2  SER  17           HB2      SER  17  46.104 -12.553   2.695
  100    HB3  SER  17           HB1      SER  17  46.337 -11.046   3.577
  101    HG   SER  17           HG       SER  17  48.580 -11.365   3.383
  102    H    GLU  18           HN       GLU  18  49.371 -12.532   4.928
  103    HA   GLU  18           HA       GLU  18  50.436 -14.688   3.588
  104    HB2  GLU  18           HB2      GLU  18  52.445 -14.235   4.672
  105    HB3  GLU  18           HB1      GLU  18  51.588 -12.703   4.846
  106    HG2  GLU  18           HG2      GLU  18  50.691 -13.728   7.068
  107    HG3  GLU  18           HG1      GLU  18  52.039 -14.854   6.904
  108    H    CYS  19           HN       CYS  19  48.716 -14.675   6.582
  109    HA   CYS  19           HA       CYS  19  49.707 -17.142   7.624
  110    HB2  CYS  19           HB2      CYS  19  47.160 -15.599   8.152
  111    HB3  CYS  19           HB1      CYS  19  47.633 -17.047   9.041
  112    HG   CYS  19           HG       CYS  19  49.829 -14.928   9.044
  113    H    GLU  20           HN       GLU  20  47.107 -16.246   5.435
  114    HA   GLU  20           HA       GLU  20  46.122 -19.000   5.328
  115    HB2  GLU  20           HB2      GLU  20  44.334 -17.486   5.293
  116    HB3  GLU  20           HB1      GLU  20  45.174 -16.372   4.214
  117    HG2  GLU  20           HG2      GLU  20  44.801 -17.714   2.328
  118    HG3  GLU  20           HG1      GLU  20  44.513 -19.159   3.294
  119    H    TYR  21           HN       TYR  21  48.038 -16.739   3.486
  120    HA   TYR  21           HA       TYR  21  47.951 -17.816   0.936
  121    HB2  TYR  21           HB2      TYR  21  49.181 -15.763   1.492
  122    HB3  TYR  21           HB1      TYR  21  50.369 -16.713   2.387
  123    HD1  TYR  21           HD2      TYR  21  51.754 -18.435   1.162
  124    HD2  TYR  21           HD1      TYR  21  49.281 -15.577  -0.880
  125    HE1  TYR  21           HE2      TYR  21  53.000 -18.859  -0.940
  126    HE2  TYR  21           HE1      TYR  21  50.528 -16.000  -2.982
  127    HH   TYR  21           HH       TYR  21  53.322 -18.202  -3.049
  128    H    THR  22           HN       THR  22  49.522 -19.041   3.809
  129    HA   THR  22           HA       THR  22  51.066 -21.032   2.381
  130    HB   THR  22           HB       THR  22  51.485 -21.882   4.750
  131    HG1  THR  22           HG1      THR  22  50.335 -21.024   6.258
  132   HG21  THR  22          HG21      THR  22  53.007 -20.039   5.258
  133   HG22  THR  22          HG22      THR  22  52.112 -18.973   4.175
  134   HG23  THR  22          HG23      THR  22  53.006 -20.346   3.522
  135    H    ASP  23           HN       ASP  23  47.867 -20.731   3.489
  136    HA   ASP  23           HA       ASP  23  47.484 -23.647   3.636
  137    HB2  ASP  23           HB2      ASP  23  46.381 -21.476   5.070
  138    HB3  ASP  23           HB1      ASP  23  45.077 -22.143   4.089
  139    H    TRP  24           HN       TRP  24  45.971 -20.782   2.134
  140    HA   TRP  24           HA       TRP  24  44.154 -21.977   0.466
  141    HB2  TRP  24           HB2      TRP  24  43.991 -19.737   0.156
  142    HB3  TRP  24           HB1      TRP  24  45.720 -19.480   0.395
  143    HD1  TRP  24           HD1      TRP  24  43.179 -20.467  -2.292
  144    HE1  TRP  24           HE1      TRP  24  44.257 -20.131  -4.609
  145    HE3  TRP  24           HE3      TRP  24  47.955 -19.330  -0.885
  146    HZ2  TRP  24           HZ2      TRP  24  46.808 -19.467  -5.720
  147    HZ3  TRP  24           HZ3      TRP  24  49.687 -18.850  -2.592
  148    HH2  TRP  24           HH2      TRP  24  49.121 -18.917  -5.005
  149    H    LYS  25           HN       LYS  25  47.640 -21.642  -0.044
  150    HA   LYS  25           HA       LYS  25  47.790 -22.555  -2.684
  151    HB2  LYS  25           HB2      LYS  25  49.659 -21.560  -1.291
  152    HB3  LYS  25           HB1      LYS  25  49.829 -23.144  -0.534
  153    HG2  LYS  25           HG2      LYS  25  50.206 -24.164  -2.753
  154    HG3  LYS  25           HG1      LYS  25  50.051 -22.576  -3.506
  155    HD2  LYS  25           HD2      LYS  25  51.995 -21.759  -2.276
  156    HD3  LYS  25           HD1      LYS  25  52.122 -23.290  -1.408
  157    HE2  LYS  25           HE2      LYS  25  52.951 -24.422  -3.243
  158    HE3  LYS  25           HE1      LYS  25  52.114 -23.381  -4.394
  159    HZ1  LYS  25           HZ1      LYS  25  54.326 -22.387  -2.703
  160    HZ2  LYS  25           HZ2      LYS  25  53.682 -21.690  -4.112
  161    HZ3  LYS  25           HZ3      LYS  25  54.609 -23.111  -4.209
  162    H    SER  26           HN       SER  26  47.313 -24.285   0.309
  163    HA   SER  26           HA       SER  26  47.637 -26.870  -1.057
  164    HB2  SER  26           HB2      SER  26  47.428 -26.079   1.845
  165    HB3  SER  26           HB1      SER  26  47.288 -27.754   1.318
  166    HG   SER  26           HG       SER  26  49.435 -27.295   1.796
  167    H    SER  27           HN       SER  27  45.253 -24.828   0.525
  168    HA   SER  27           HA       SER  27  43.165 -26.849   0.222
  169    HB2  SER  27           HB2      SER  27  43.382 -24.200   1.588
  170    HB3  SER  27           HB1      SER  27  41.785 -24.791   1.136
  171    HG   SER  27           HG       SER  27  42.134 -25.666   3.095
  172    H    GLY  28           HN       GLY  28  44.619 -25.121  -1.966
  173    HA2  GLY  28           HA2      GLY  28  42.315 -23.817  -3.205
  174    HA3  GLY  28           HA1      GLY  28  43.976 -23.776  -3.787
  175    H    ALA  29           HN       ALA  29  43.111 -26.905  -2.938
  176    HA   ALA  29           HA       ALA  29  42.621 -27.592  -5.771
  177    HB1  ALA  29           HB1      ALA  29  43.732 -29.609  -5.425
  178    HB2  ALA  29           HB2      ALA  29  43.448 -29.584  -3.685
  179    HB3  ALA  29           HB3      ALA  29  44.649 -28.507  -4.397
  180    H    LEU  30           HN       LEU  30  40.671 -26.773  -3.571
  181    HA   LEU  30           HA       LEU  30  38.818 -29.026  -3.991
  182    HB2  LEU  30           HB2      LEU  30  38.010 -28.785  -1.659
  183    HB3  LEU  30           HB1      LEU  30  39.692 -29.312  -1.736
  184    HG   LEU  30           HG       LEU  30  39.819 -26.510  -1.762
  185   HD11  LEU  30          HD11      LEU  30  38.524 -25.879   0.245
  186   HD12  LEU  30          HD12      LEU  30  37.839 -27.503   0.313
  187   HD13  LEU  30          HD13      LEU  30  37.459 -26.442  -1.043
  188   HD21  LEU  30          HD21      LEU  30  41.370 -28.087  -0.646
  189   HD22  LEU  30          HD22      LEU  30  40.131 -28.445   0.557
  190   HD23  LEU  30          HD23      LEU  30  40.829 -26.829   0.466
  191    H    ILE  31           HN       ILE  31  39.347 -25.609  -3.380
  192    HA   ILE  31           HA       ILE  31  36.596 -24.866  -3.341
  193    HB   ILE  31           HB       ILE  31  38.681 -22.935  -4.214
  194   HG12  ILE  31          HG12      ILE  31  38.675 -24.466  -1.628
  195   HG13  ILE  31          HG11      ILE  31  40.043 -23.999  -2.638
  196   HG21  ILE  31          HG21      ILE  31  37.406 -21.427  -2.940
  197   HG22  ILE  31          HG22      ILE  31  36.735 -22.708  -1.929
  198   HG23  ILE  31          HG23      ILE  31  36.184 -22.517  -3.594
  199   HD11  ILE  31          HD11      ILE  31  40.192 -22.498  -0.838
  200   HD12  ILE  31          HD12      ILE  31  38.443 -22.302  -0.736
  201   HD13  ILE  31          HD13      ILE  31  39.337 -21.560  -2.062
  202    HA   PRO  32           HA       PRO  32  37.626 -23.764  -8.006
  203    HB2  PRO  32           HB2      PRO  32  39.212 -26.165  -8.708
  204    HB3  PRO  32           HB1      PRO  32  39.471 -24.471  -9.160
  205    HG2  PRO  32           HG2      PRO  32  41.035 -25.724  -7.390
  206    HG3  PRO  32           HG1      PRO  32  40.645 -24.001  -7.254
  207    HD2  PRO  32           HD2      PRO  32  39.544 -26.311  -5.696
  208    HD3  PRO  32           HD1      PRO  32  39.903 -24.656  -5.158
  209    H    ALA  33           HN       ALA  33  37.515 -27.178  -7.002
  210    HA   ALA  33           HA       ALA  33  35.919 -28.173  -9.072
  211    HB1  ALA  33           HB1      ALA  33  35.351 -29.992  -7.529
  212    HB2  ALA  33           HB2      ALA  33  35.957 -29.042  -6.172
  213    HB3  ALA  33           HB3      ALA  33  37.068 -29.603  -7.422
  214    H    ILE  34           HN       ILE  34  34.806 -27.330  -5.781
  215    HA   ILE  34           HA       ILE  34  32.081 -27.471  -6.238
  216    HB   ILE  34           HB       ILE  34  33.766 -25.852  -4.358
  217   HG12  ILE  34          HG12      ILE  34  32.661 -27.267  -2.704
  218   HG13  ILE  34          HG11      ILE  34  31.584 -27.919  -3.939
  219   HG21  ILE  34          HG21      ILE  34  31.474 -25.250  -3.293
  220   HG22  ILE  34          HG22      ILE  34  30.814 -25.554  -4.899
  221   HG23  ILE  34          HG23      ILE  34  32.025 -24.292  -4.666
  222   HD11  ILE  34          HD11      ILE  34  33.386 -29.022  -5.062
  223   HD12  ILE  34          HD12      ILE  34  33.584 -29.382  -3.347
  224   HD13  ILE  34          HD13      ILE  34  34.594 -28.156  -4.113
  225    H    TYR  35           HN       TYR  35  34.137 -24.565  -6.468
  226    HA   TYR  35           HA       TYR  35  32.319 -22.686  -7.264
  227    HB2  TYR  35           HB2      TYR  35  35.185 -23.095  -7.615
  228    HB3  TYR  35           HB1      TYR  35  34.468 -22.194  -8.952
  229    HD1  TYR  35           HD1      TYR  35  34.493 -22.348  -5.209
  230    HD2  TYR  35           HD2      TYR  35  34.035 -19.901  -8.709
  231    HE1  TYR  35           HE1      TYR  35  34.376 -20.325  -3.780
  232    HE2  TYR  35           HE2      TYR  35  33.919 -17.878  -7.281
  233    HH   TYR  35           HH       TYR  35  34.704 -17.205  -4.982
  234    H    MET  36           HN       MET  36  34.057 -24.921  -9.435
  235    HA   MET  36           HA       MET  36  32.762 -24.132 -11.806
  236    HB2  MET  36           HB2      MET  36  34.343 -26.502 -10.929
  237    HB3  MET  36           HB1      MET  36  33.399 -26.643 -12.413
  238    HG2  MET  36           HG2      MET  36  35.796 -25.790 -12.686
  239    HG3  MET  36           HG1      MET  36  34.534 -24.806 -13.429
  240    HE1  MET  36           HE1      MET  36  34.004 -22.409 -12.857
  241    HE2  MET  36           HE2      MET  36  35.557 -22.684 -13.643
  242    HE3  MET  36           HE3      MET  36  35.433 -21.499 -12.346
  243    H    LEU  37           HN       LEU  37  32.219 -27.104  -9.905
  244    HA   LEU  37           HA       LEU  37  29.905 -27.942 -11.210
  245    HB2  LEU  37           HB2      LEU  37  31.372 -29.116  -9.393
  246    HB3  LEU  37           HB1      LEU  37  30.245 -28.370  -8.260
  247    HG   LEU  37           HG       LEU  37  28.467 -29.361 -10.015
  248   HD11  LEU  37          HD11      LEU  37  30.282 -30.309 -11.440
  249   HD12  LEU  37          HD12      LEU  37  29.198 -31.552 -10.816
  250   HD13  LEU  37          HD13      LEU  37  30.785 -31.317 -10.083
  251   HD21  LEU  37          HD21      LEU  37  28.494 -31.463  -8.504
  252   HD22  LEU  37          HD22      LEU  37  28.278 -29.900  -7.714
  253   HD23  LEU  37          HD23      LEU  37  29.854 -30.693  -7.685
  254    H    VAL  38           HN       VAL  38  30.320 -25.133  -9.472
  255    HA   VAL  38           HA       VAL  38  27.420 -24.936  -8.899
  256    HB   VAL  38           HB       VAL  38  29.765 -23.746  -7.411
  257   HG11  VAL  38          HG11      VAL  38  27.777 -22.865  -5.952
  258   HG12  VAL  38          HG12      VAL  38  26.840 -23.042  -7.435
  259   HG13  VAL  38          HG13      VAL  38  28.239 -21.969  -7.399
  260   HG21  VAL  38          HG21      VAL  38  28.635 -24.930  -5.500
  261   HG22  VAL  38          HG22      VAL  38  29.224 -26.024  -6.751
  262   HG23  VAL  38          HG23      VAL  38  27.508 -25.630  -6.661
  263    H    PHE  39           HN       PHE  39  29.915 -23.869 -10.836
  264    HA   PHE  39           HA       PHE  39  28.684 -21.219 -11.258
  265    HB2  PHE  39           HB2      PHE  39  31.087 -21.174 -10.780
  266    HB3  PHE  39           HB1      PHE  39  31.385 -22.269 -12.129
  267    HD1  PHE  39           HD1      PHE  39  29.734 -18.992 -11.361
  268    HD2  PHE  39           HD2      PHE  39  31.840 -21.378 -14.246
  269    HE1  PHE  39           HE1      PHE  39  29.797 -17.059 -12.914
  270    HE2  PHE  39           HE2      PHE  39  31.903 -19.447 -15.798
  271    HZ   PHE  39           HZ       PHE  39  30.881 -17.287 -15.134
  272    H    LEU  40           HN       LEU  40  29.032 -24.343 -12.610
  273    HA   LEU  40           HA       LEU  40  28.064 -23.358 -15.228
  274    HB2  LEU  40           HB2      LEU  40  29.090 -25.287 -16.256
  275    HB3  LEU  40           HB1      LEU  40  30.304 -24.471 -15.269
  276    HG   LEU  40           HG       LEU  40  29.151 -26.213 -13.465
  277   HD11  LEU  40          HD11      LEU  40  29.563 -27.784 -16.014
  278   HD12  LEU  40          HD12      LEU  40  27.970 -27.213 -15.521
  279   HD13  LEU  40          HD13      LEU  40  28.859 -28.337 -14.495
  280   HD21  LEU  40          HD21      LEU  40  31.252 -27.497 -13.736
  281   HD22  LEU  40          HD22      LEU  40  31.559 -25.761 -13.766
  282   HD23  LEU  40          HD23      LEU  40  31.548 -26.681 -15.271
  283    H    LEU  41           HN       LEU  41  27.359 -25.213 -12.464
  284    HA   LEU  41           HA       LEU  41  25.085 -26.510 -13.842
  285    HB2  LEU  41           HB2      LEU  41  26.040 -28.366 -12.961
  286    HB3  LEU  41           HB1      LEU  41  26.998 -27.447 -11.810
  287    HG   LEU  41           HG       LEU  41  25.065 -27.253 -10.305
  288   HD11  LEU  41          HD11      LEU  41  23.279 -29.150 -11.486
  289   HD12  LEU  41          HD12      LEU  41  23.594 -27.901 -12.686
  290   HD13  LEU  41          HD13      LEU  41  22.960 -27.462 -11.101
  291   HD21  LEU  41          HD21      LEU  41  26.382 -29.669 -11.045
  292   HD22  LEU  41          HD22      LEU  41  24.706 -30.066 -10.665
  293   HD23  LEU  41          HD23      LEU  41  25.707 -29.233  -9.476
  294    H    GLY  42           HN       GLY  42  26.114 -24.813 -10.909
  295    HA2  GLY  42           HA2      GLY  42  23.353 -24.463 -10.039
  296    HA3  GLY  42           HA1      GLY  42  24.795 -23.938  -9.178
  297    H    THR  43           HN       THR  43  25.254 -22.981 -12.293
  298    HA   THR  43           HA       THR  43  23.789 -20.439 -11.970
  299    HB   THR  43           HB       THR  43  26.598 -20.397 -12.999
  300    HG1  THR  43           HG1      THR  43  26.953 -19.776 -10.632
  301   HG21  THR  43          HG21      THR  43  26.442 -18.132 -12.597
  302   HG22  THR  43          HG22      THR  43  25.349 -18.345 -11.229
  303   HG23  THR  43          HG23      THR  43  24.738 -18.490 -12.877
  304    H    THR  44           HN       THR  44  23.583 -22.916 -13.698
  305    HA   THR  44           HA       THR  44  23.551 -21.498 -16.292
  306    HB   THR  44           HB       THR  44  24.209 -24.428 -15.973
  307    HG1  THR  44           HG1      THR  44  26.213 -22.839 -16.834
  308   HG21  THR  44          HG21      THR  44  25.020 -24.108 -18.317
  309   HG22  THR  44          HG22      THR  44  24.391 -22.461 -18.269
  310   HG23  THR  44          HG23      THR  44  23.287 -23.831 -18.141
  311    H    GLY  45           HN       GLY  45  22.344 -24.317 -14.484
  312    HA2  GLY  45           HA2      GLY  45  19.849 -24.202 -16.058
  313    HA3  GLY  45           HA1      GLY  45  20.419 -25.603 -15.155
  314    H    ASN  46           HN       ASN  46  21.112 -23.128 -13.185
  315    HA   ASN  46           HA       ASN  46  18.605 -23.461 -11.679
  316    HB2  ASN  46           HB2      ASN  46  21.355 -22.525 -10.835
  317    HB3  ASN  46           HB1      ASN  46  19.950 -22.555  -9.770
  318   HD21  ASN  46          HD21      ASN  46  21.376 -24.880 -12.150
  319   HD22  ASN  46          HD22      ASN  46  21.327 -26.204 -11.089
  320    H    GLY  47           HN       GLY  47  20.994 -20.887 -12.345
  321    HA2  GLY  47           HA2      GLY  47  19.499 -18.709 -11.501
  322    HA3  GLY  47           HA1      GLY  47  20.718 -18.640 -12.772
  323    H    LEU  48           HN       LEU  48  19.543 -20.279 -14.687
  324    HA   LEU  48           HA       LEU  48  17.817 -18.499 -16.008
  325    HB2  LEU  48           HB2      LEU  48  19.195 -20.259 -17.126
  326    HB3  LEU  48           HB1      LEU  48  18.099 -21.477 -16.480
  327    HG   LEU  48           HG       LEU  48  16.206 -20.370 -17.664
  328   HD11  LEU  48          HD11      LEU  48  16.696 -18.146 -18.039
  329   HD12  LEU  48          HD12      LEU  48  17.180 -18.804 -19.600
  330   HD13  LEU  48          HD13      LEU  48  18.397 -18.465 -18.373
  331   HD21  LEU  48          HD21      LEU  48  18.550 -21.064 -19.460
  332   HD22  LEU  48          HD22      LEU  48  16.845 -21.112 -19.913
  333   HD23  LEU  48          HD23      LEU  48  17.471 -22.238 -18.708
  334    H    VAL  49           HN       VAL  49  17.111 -21.568 -14.338
  335    HA   VAL  49           HA       VAL  49  14.325 -21.529 -14.713
  336    HB   VAL  49           HB       VAL  49  16.142 -22.835 -12.709
  337   HG11  VAL  49          HG11      VAL  49  14.279 -22.491 -11.317
  338   HG12  VAL  49          HG12      VAL  49  13.944 -24.067 -12.036
  339   HG13  VAL  49          HG13      VAL  49  13.138 -22.626 -12.656
  340   HG21  VAL  49          HG21      VAL  49  14.178 -23.936 -14.743
  341   HG22  VAL  49          HG22      VAL  49  15.375 -24.856 -13.831
  342   HG23  VAL  49          HG23      VAL  49  15.897 -23.697 -15.054
  343    H    LEU  50           HN       LEU  50  16.011 -20.871 -11.636
  344    HA   LEU  50           HA       LEU  50  13.943 -19.753 -10.227
  345    HB2  LEU  50           HB2      LEU  50  16.812 -18.784 -10.188
  346    HB3  LEU  50           HB1      LEU  50  15.623 -18.570  -8.904
  347    HG   LEU  50           HG       LEU  50  16.616 -21.245  -9.938
  348   HD11  LEU  50          HD11      LEU  50  17.713 -19.385  -8.029
  349   HD12  LEU  50          HD12      LEU  50  18.351 -20.949  -8.538
  350   HD13  LEU  50          HD13      LEU  50  17.208 -20.856  -7.197
  351   HD21  LEU  50          HD21      LEU  50  14.533 -20.399  -7.951
  352   HD22  LEU  50          HD22      LEU  50  15.464 -21.862  -7.630
  353   HD23  LEU  50          HD23      LEU  50  14.503 -21.734  -9.102
  354    H    TRP  51           HN       TRP  51  15.761 -18.339 -12.845
  355    HA   TRP  51           HA       TRP  51  14.816 -15.648 -12.390
  356    HB2  TRP  51           HB2      TRP  51  16.943 -15.912 -13.484
  357    HB3  TRP  51           HB1      TRP  51  16.234 -16.950 -14.722
  358    HD1  TRP  51           HD1      TRP  51  16.457 -13.315 -13.613
  359    HE1  TRP  51           HE1      TRP  51  15.594 -11.806 -15.517
  360    HE3  TRP  51           HE3      TRP  51  14.640 -16.867 -16.800
  361    HZ2  TRP  51           HZ2      TRP  51  14.305 -12.070 -18.056
  362    HZ3  TRP  51           HZ3      TRP  51  13.600 -16.211 -18.952
  363    HH2  TRP  51           HH2      TRP  51  13.431 -13.820 -19.583
  364    H    THR  52           HN       THR  52  14.129 -18.220 -14.758
  365    HA   THR  52           HA       THR  52  12.118 -16.826 -16.167
  366    HB   THR  52           HB       THR  52  12.682 -19.770 -15.810
  367    HG1  THR  52           HG1      THR  52  12.811 -18.336 -18.201
  368   HG21  THR  52          HG21      THR  52  10.472 -18.355 -17.273
  369   HG22  THR  52          HG22      THR  52  10.398 -19.827 -16.304
  370   HG23  THR  52          HG23      THR  52  11.125 -19.864 -17.911
  371    H    VAL  53           HN       VAL  53  11.956 -19.069 -13.419
  372    HA   VAL  53           HA       VAL  53   9.140 -19.133 -13.216
  373    HB   VAL  53           HB       VAL  53  11.296 -19.589 -11.142
  374   HG11  VAL  53          HG11      VAL  53   8.294 -19.844 -11.045
  375   HG12  VAL  53          HG12      VAL  53   9.381 -19.138  -9.850
  376   HG13  VAL  53          HG13      VAL  53   9.314 -20.889 -10.055
  377   HG21  VAL  53          HG21      VAL  53  10.777 -21.963 -11.575
  378   HG22  VAL  53          HG22      VAL  53  11.282 -21.157 -13.059
  379   HG23  VAL  53          HG23      VAL  53   9.574 -21.487 -12.773
  380    H    PHE  54           HN       PHE  54  11.574 -17.207 -11.465
  381    HA   PHE  54           HA       PHE  54   9.936 -15.762  -9.783
  382    HB2  PHE  54           HB2      PHE  54  12.539 -15.222 -11.122
  383    HB3  PHE  54           HB1      PHE  54  11.707 -13.850 -10.389
  384    HD1  PHE  54           HD2      PHE  54  11.807 -17.450  -9.366
  385    HD2  PHE  54           HD1      PHE  54  12.827 -13.396  -8.374
  386    HE1  PHE  54           HE2      PHE  54  12.560 -18.188  -7.121
  387    HE2  PHE  54           HE1      PHE  54  13.580 -14.135  -6.129
  388    HZ   PHE  54           HZ       PHE  54  13.446 -16.532  -5.503
  389    H    ARG  55           HN       ARG  55   9.878 -15.793 -13.163
  390    HA   ARG  55           HA       ARG  55   8.564 -13.157 -13.313
  391    HB2  ARG  55           HB2      ARG  55  10.039 -14.868 -15.257
  392    HB3  ARG  55           HB1      ARG  55   8.737 -13.854 -15.879
  393    HG2  ARG  55           HG2      ARG  55   9.804 -11.875 -15.273
  394    HG3  ARG  55           HG1      ARG  55  10.751 -12.656 -14.005
  395    HD2  ARG  55           HD2      ARG  55  11.843 -11.973 -16.347
  396    HD3  ARG  55           HD1      ARG  55  12.353 -13.414 -15.471
  397    HE   ARG  55           HE       ARG  55  11.327 -14.724 -17.109
  398   HH11  ARG  55          HH21      ARG  55  10.456 -11.387 -17.397
  399   HH12  ARG  55          HH22      ARG  55   9.691 -11.577 -18.938
  400   HH21  ARG  55          HH11      ARG  55  10.324 -14.981 -19.131
  401   HH22  ARG  55          HH12      ARG  55   9.616 -13.611 -19.921
  402    H    LYS  56           HN       LYS  56   7.993 -16.560 -13.461
  403    HA   LYS  56           HA       LYS  56   5.369 -16.196 -14.712
  404    HB2  LYS  56           HB2      LYS  56   5.439 -18.404 -15.265
  405    HB3  LYS  56           HB1      LYS  56   7.171 -18.168 -15.043
  406    HG2  LYS  56           HG2      LYS  56   6.807 -18.840 -12.595
  407    HG3  LYS  56           HG1      LYS  56   5.194 -19.363 -13.079
  408    HD2  LYS  56           HD2      LYS  56   7.647 -20.351 -14.541
  409    HD3  LYS  56           HD1      LYS  56   7.079 -21.135 -13.070
  410    HE2  LYS  56           HE2      LYS  56   5.449 -20.711 -15.592
  411    HE3  LYS  56           HE1      LYS  56   6.129 -22.241 -15.044
  412    HZ1  LYS  56           HZ1      LYS  56   4.696 -21.158 -12.920
  413    HZ2  LYS  56           HZ2      LYS  56   4.325 -22.545 -13.828
  414    HZ3  LYS  56           HZ3      LYS  56   3.706 -21.032 -14.292
  415    H    LYS  57           HN       LYS  57   6.854 -16.836 -11.622
  416    HA   LYS  57           HA       LYS  57   4.220 -17.290 -10.389
  417    HB2  LYS  57           HB2      LYS  57   6.393 -18.722  -9.969
  418    HB3  LYS  57           HB1      LYS  57   6.789 -17.408  -8.860
  419    HG2  LYS  57           HG2      LYS  57   4.270 -17.774  -8.083
  420    HG3  LYS  57           HG1      LYS  57   4.553 -19.391  -8.729
  421    HD2  LYS  57           HD2      LYS  57   6.628 -19.525  -7.325
  422    HD3  LYS  57           HD1      LYS  57   6.182 -17.982  -6.596
  423    HE2  LYS  57           HE2      LYS  57   4.134 -18.915  -5.713
  424    HE3  LYS  57           HE1      LYS  57   4.384 -20.421  -6.598
  425    HZ1  LYS  57           HZ1      LYS  57   5.235 -21.017  -4.598
  426    HZ2  LYS  57           HZ2      LYS  57   5.703 -19.438  -4.184
  427    HZ3  LYS  57           HZ3      LYS  57   6.641 -20.346  -5.269
  428    H    GLY  58           HN       GLY  58   6.515 -14.858 -10.935
  429    HA2  GLY  58           HA2      GLY  58   5.962 -13.331  -8.527
  430    HA3  GLY  58           HA1      GLY  58   6.962 -12.823  -9.886
  431    H    HIS  59           HN       HIS  59   4.914 -13.421 -11.879
  432    HA   HIS  59           HA       HIS  59   3.670 -10.927 -12.087
  433    HB2  HIS  59           HB2      HIS  59   3.845 -13.246 -13.648
  434    HB3  HIS  59           HB1      HIS  59   2.119 -13.002 -13.385
  435    HD2  HIS  59           HD2      HIS  59   5.112 -11.222 -15.190
  436    HE1  HIS  59           HE1      HIS  59   1.599  -9.037 -16.029
  437    HE2  HIS  59           HE2      HIS  59   4.063  -9.284 -16.591
  438    H    HIS  60           HN       HIS  60   2.922 -13.523 -10.044
  439    HA   HIS  60           HA       HIS  60   0.368 -12.247  -9.329
  440    HB2  HIS  60           HB2      HIS  60   0.808 -15.182  -9.888
  441    HB3  HIS  60           HB1      HIS  60  -0.568 -14.579  -8.966
  442    HD2  HIS  60           HD2      HIS  60  -0.049 -15.532 -12.482
  443    HE1  HIS  60           HE1      HIS  60  -2.533 -12.130 -12.774
  444    HE2  HIS  60           HE2      HIS  60  -1.613 -14.133 -14.037
  445    H    HIS  61           HN       HIS  61   1.380 -11.362  -7.505
  446    HA   HIS  61           HA       HIS  61   2.948 -12.842  -5.666
  447    HB2  HIS  61           HB2      HIS  61   1.298 -10.337  -5.243
  448    HB3  HIS  61           HB1      HIS  61   2.511 -10.957  -4.123
  449    HD2  HIS  61           HD2      HIS  61   2.361  -9.174  -7.623
  450    HE1  HIS  61           HE1      HIS  61   6.408  -9.423  -6.445
  451    HE2  HIS  61           HE2      HIS  61   4.812  -8.456  -8.167
  452    H    HIS  62           HN       HIS  62   0.804 -11.463  -3.649
  453    HA   HIS  62           HA       HIS  62  -0.462 -14.047  -3.047
  454    HB2  HIS  62           HB2      HIS  62  -0.152 -11.527  -1.400
  455    HB3  HIS  62           HB1      HIS  62  -0.995 -12.978  -0.855
  456    HD2  HIS  62           HD2      HIS  62   1.901 -12.035   0.580
  457    HE1  HIS  62           HE1      HIS  62   3.439 -15.441  -1.386
  458    HE2  HIS  62           HE2      HIS  62   3.864 -13.754   0.464
  459    H    HIS  63           HN       HIS  63  -1.530 -10.686  -2.554
  460    HA   HIS  63           HA       HIS  63  -4.249 -11.463  -3.279
  461    HB2  HIS  63           HB2      HIS  63  -3.233  -8.758  -2.381
  462    HB3  HIS  63           HB1      HIS  63  -4.906  -9.315  -2.405
  463    HD2  HIS  63           HD2      HIS  63  -3.031  -8.589   0.433
  464    HE1  HIS  63           HE1      HIS  63  -3.831 -12.659   1.214
  465    HE2  HIS  63           HE2      HIS  63  -3.076 -10.467   2.247
  466    H    HIS  64           HN       HIS  64  -2.843 -11.751  -5.505
  467    HA   HIS  64           HA       HIS  64  -2.213  -9.691  -7.181
  468    HB2  HIS  64           HB2      HIS  64  -3.374 -11.244  -8.988
  469    HB3  HIS  64           HB1      HIS  64  -1.892 -11.748  -8.175
  470    HD2  HIS  64           HD2      HIS  64  -5.712 -12.667  -8.194
  471    HE1  HIS  64           HE1      HIS  64  -3.715 -15.417  -5.690
  472    HE2  HIS  64           HE2      HIS  64  -5.931 -14.864  -6.800
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  11.951 -24.306 -17.146
    2    H2   MET   1           HT2      MET   1  11.567 -22.651 -17.111
    3    H3   MET   1           HT3      MET   1  12.918 -23.193 -17.985
    4    HA   MET   1           HA       MET   1  10.598 -24.553 -18.860
    5    HB2  MET   1           HB2      MET   1  10.469 -21.573 -18.542
    6    HB3  MET   1           HB1      MET   1   9.746 -22.310 -19.973
    7    HG2  MET   1           HG2      MET   1   8.214 -23.570 -18.701
    8    HG3  MET   1           HG1      MET   1   9.153 -23.385 -17.221
    9    HE1  MET   1           HE1      MET   1   5.867 -21.623 -16.385
   10    HE2  MET   1           HE2      MET   1   7.268 -22.274 -15.537
   11    HE3  MET   1           HE3      MET   1   6.518 -23.207 -16.830
   12    H    GLU   2           HN       GLU   2  12.732 -21.779 -19.579
   13    HA   GLU   2           HA       GLU   2  13.955 -23.278 -21.760
   14    HB2  GLU   2           HB2      GLU   2  13.516 -21.554 -23.435
   15    HB3  GLU   2           HB1      GLU   2  11.995 -22.198 -22.815
   16    HG2  GLU   2           HG2      GLU   2  12.013 -20.263 -21.148
   17    HG3  GLU   2           HG1      GLU   2  13.319 -19.573 -22.110
   18    H    GLU   3           HN       GLU   3  15.859 -22.187 -22.628
   19    HA   GLU   3           HA       GLU   3  17.578 -21.205 -20.681
   20    HB2  GLU   3           HB2      GLU   3  18.344 -22.111 -22.837
   21    HB3  GLU   3           HB1      GLU   3  17.689 -20.698 -23.664
   22    HG2  GLU   3           HG2      GLU   3  19.283 -19.252 -22.741
   23    HG3  GLU   3           HG1      GLU   3  19.639 -20.344 -21.403
   24    H    GLY   4           HN       GLY   4  18.586 -19.063 -20.522
   25    HA2  GLY   4           HA2      GLY   4  16.826 -16.834 -21.311
   26    HA3  GLY   4           HA1      GLY   4  17.292 -17.011 -19.622
   27    H    GLY   5           HN       GLY   5  19.497 -16.730 -19.030
   28    HA2  GLY   5           HA2      GLY   5  21.760 -16.152 -19.453
   29    HA3  GLY   5           HA1      GLY   5  21.304 -15.650 -21.079
   30    H    ASP   6           HN       ASP   6  21.934 -14.623 -17.908
   31    HA   ASP   6           HA       ASP   6  21.939 -11.893 -18.524
   32    HB2  ASP   6           HB2      ASP   6  19.934 -11.302 -16.975
   33    HB3  ASP   6           HB1      ASP   6  19.612 -11.761 -18.646
   34    H    PHE   7           HN       PHE   7  23.863 -13.077 -17.327
   35    HA   PHE   7           HA       PHE   7  23.888 -13.667 -14.640
   36    HB2  PHE   7           HB2      PHE   7  25.948 -12.278 -16.354
   37    HB3  PHE   7           HB1      PHE   7  26.260 -12.731 -14.678
   38    HD1  PHE   7           HD1      PHE   7  25.398 -14.039 -18.044
   39    HD2  PHE   7           HD2      PHE   7  26.629 -15.015 -14.046
   40    HE1  PHE   7           HE1      PHE   7  25.888 -16.362 -18.761
   41    HE2  PHE   7           HE2      PHE   7  27.119 -17.338 -14.763
   42    HZ   PHE   7           HZ       PHE   7  26.748 -18.012 -17.121
   43    H    ASP   8           HN       ASP   8  23.858 -12.553 -12.749
   44    HA   ASP   8           HA       ASP   8  22.919  -9.812 -12.837
   45    HB2  ASP   8           HB2      ASP   8  22.957 -10.136 -10.286
   46    HB3  ASP   8           HB1      ASP   8  21.833 -11.129 -11.211
   47    H    ASN   9           HN       ASN   9  25.824 -11.554 -11.855
   48    HA   ASN   9           HA       ASN   9  27.827 -10.794 -10.970
   49    HB2  ASN   9           HB2      ASN   9  28.898  -9.170 -12.524
   50    HB3  ASN   9           HB1      ASN   9  28.136 -10.530 -13.349
   51   HD21  ASN   9          HD21      ASN   9  28.154  -7.075 -13.062
   52   HD22  ASN   9          HD22      ASN   9  26.832  -6.777 -14.084
   53    H    TYR  10           HN       TYR  10  28.096  -7.681 -11.876
   54    HA   TYR  10           HA       TYR  10  28.404  -6.491  -9.473
   55    HB2  TYR  10           HB2      TYR  10  28.886  -5.038 -11.188
   56    HB3  TYR  10           HB1      TYR  10  27.439  -5.466 -12.101
   57    HD1  TYR  10           HD1      TYR  10  28.062  -4.218  -8.614
   58    HD2  TYR  10           HD2      TYR  10  26.005  -3.639 -12.342
   59    HE1  TYR  10           HE1      TYR  10  26.882  -2.256  -7.660
   60    HE2  TYR  10           HE2      TYR  10  24.828  -1.678 -11.388
   61    HH   TYR  10           HH       TYR  10  24.647  -1.039  -8.150
   62    H    TYR  11           HN       TYR  11  27.200  -6.122  -7.734
   63    HA   TYR  11           HA       TYR  11  25.365  -5.579  -6.435
   64    HB2  TYR  11           HB2      TYR  11  24.636  -4.434  -8.739
   65    HB3  TYR  11           HB1      TYR  11  23.452  -5.740  -8.710
   66    HD1  TYR  11           HD1      TYR  11  24.778  -2.842  -6.795
   67    HD2  TYR  11           HD2      TYR  11  21.623  -5.732  -7.174
   68    HE1  TYR  11           HE1      TYR  11  23.431  -1.587  -5.134
   69    HE2  TYR  11           HE2      TYR  11  20.275  -4.477  -5.513
   70    HH   TYR  11           HH       TYR  11  21.493  -2.255  -3.460
   71    H    GLY  12           HN       GLY  12  26.306  -8.211  -6.919
   72    HA2  GLY  12           HA2      GLY  12  24.291  -9.753  -5.742
   73    HA3  GLY  12           HA1      GLY  12  24.243 -10.061  -7.475
   74    H    ALA  13           HN       ALA  13  27.202  -9.506  -7.590
   75    HA   ALA  13           HA       ALA  13  28.102 -12.140  -6.585
   76    HB1  ALA  13           HB1      ALA  13  29.038 -10.540  -8.977
   77    HB2  ALA  13           HB2      ALA  13  28.129 -12.051  -9.011
   78    HB3  ALA  13           HB3      ALA  13  29.788 -12.033  -8.416
   79    H    ASP  14           HN       ASP  14  28.586  -8.738  -6.517
   80    HA   ASP  14           HA       ASP  14  31.224  -9.032  -5.245
   81    HB2  ASP  14           HB2      ASP  14  31.351  -6.565  -5.497
   82    HB3  ASP  14           HB1      ASP  14  31.127  -7.395  -7.036
   83    H    ASN  15           HN       ASN  15  27.912  -8.406  -4.580
   84    HA   ASN  15           HA       ASN  15  28.126  -6.866  -2.235
   85    HB2  ASN  15           HB2      ASN  15  25.988  -7.132  -3.328
   86    HB3  ASN  15           HB1      ASN  15  26.036  -8.878  -3.086
   87   HD21  ASN  15          HD21      ASN  15  24.766  -6.050  -1.782
   88   HD22  ASN  15          HD22      ASN  15  24.491  -6.599  -0.199
   89    H    GLN  16           HN       GLN  16  28.449 -10.305  -2.837
   90    HA   GLN  16           HA       GLN  16  28.763 -10.815   0.046
   91    HB2  GLN  16           HB2      GLN  16  28.432 -13.124  -0.443
   92    HB3  GLN  16           HB1      GLN  16  27.228 -12.248  -1.388
   93    HG2  GLN  16           HG2      GLN  16  28.065 -13.583  -3.063
   94    HG3  GLN  16           HG1      GLN  16  29.217 -12.253  -3.186
   95   HE21  GLN  16          HE21      GLN  16  31.324 -13.016  -3.309
   96   HE22  GLN  16          HE22      GLN  16  31.911 -14.396  -2.514
   97    H    SER  17           HN       SER  17  30.653  -9.846  -2.409
   98    HA   SER  17           HA       SER  17  32.928 -11.589  -1.732
   99    HB2  SER  17           HB2      SER  17  33.834 -11.083  -3.788
  100    HB3  SER  17           HB1      SER  17  32.122 -10.913  -4.168
  101    HG   SER  17           HG       SER  17  32.358  -8.667  -3.724
  102    H    GLU  18           HN       GLU  18  31.874  -8.217  -1.750
  103    HA   GLU  18           HA       GLU  18  34.186  -6.868  -1.143
  104    HB2  GLU  18           HB2      GLU  18  32.853  -5.140  -0.355
  105    HB3  GLU  18           HB1      GLU  18  31.696  -6.051  -1.327
  106    HG2  GLU  18           HG2      GLU  18  31.210  -7.349   0.874
  107    HG3  GLU  18           HG1      GLU  18  31.994  -5.984   1.670
  108    H    CYS  19           HN       CYS  19  32.433  -9.109   0.854
  109    HA   CYS  19           HA       CYS  19  33.945  -8.377   3.250
  110    HB2  CYS  19           HB2      CYS  19  31.457  -9.019   3.233
  111    HB3  CYS  19           HB1      CYS  19  32.014 -10.675   2.989
  112    HG   CYS  19           HG       CYS  19  33.425 -10.359   5.265
  113    H    GLU  20           HN       GLU  20  33.840 -10.806   0.752
  114    HA   GLU  20           HA       GLU  20  35.741 -12.527   2.158
  115    HB2  GLU  20           HB2      GLU  20  33.829 -13.490   0.854
  116    HB3  GLU  20           HB1      GLU  20  34.565 -12.844  -0.613
  117    HG2  GLU  20           HG2      GLU  20  36.487 -14.235  -0.382
  118    HG3  GLU  20           HG1      GLU  20  36.069 -14.664   1.276
  119    H    TYR  21           HN       TYR  21  35.799  -9.846   0.150
  120    HA   TYR  21           HA       TYR  21  37.797 -10.215  -1.697
  121    HB2  TYR  21           HB2      TYR  21  36.968  -8.073  -1.778
  122    HB3  TYR  21           HB1      TYR  21  36.922  -7.914  -0.021
  123    HD1  TYR  21           HD1      TYR  21  39.363  -8.291  -2.841
  124    HD2  TYR  21           HD2      TYR  21  38.587  -6.672   1.061
  125    HE1  TYR  21           HE1      TYR  21  41.554  -7.129  -2.888
  126    HE2  TYR  21           HE2      TYR  21  40.776  -5.509   1.014
  127    HH   TYR  21           HH       TYR  21  43.145  -6.110  -0.444
  128    H    THR  22           HN       THR  22  38.097  -9.834   1.785
  129    HA   THR  22           HA       THR  22  40.958  -9.619   1.790
  130    HB   THR  22           HB       THR  22  40.728  -9.943   4.230
  131    HG1  THR  22           HG1      THR  22  37.952 -10.025   3.885
  132   HG21  THR  22          HG21      THR  22  38.597  -8.096   3.125
  133   HG22  THR  22          HG22      THR  22  40.322  -7.723   3.126
  134   HG23  THR  22          HG23      THR  22  39.462  -7.923   4.652
  135    H    ASP  23           HN       ASP  23  38.715 -12.239   1.637
  136    HA   ASP  23           HA       ASP  23  40.810 -14.180   2.373
  137    HB2  ASP  23           HB2      ASP  23  37.908 -14.099   2.643
  138    HB3  ASP  23           HB1      ASP  23  38.477 -15.602   1.916
  139    H    TRP  24           HN       TRP  24  38.226 -13.835  -0.073
  140    HA   TRP  24           HA       TRP  24  38.791 -15.789  -1.838
  141    HB2  TRP  24           HB2      TRP  24  37.125 -14.549  -2.742
  142    HB3  TRP  24           HB1      TRP  24  37.782 -13.034  -2.118
  143    HD1  TRP  24           HD1      TRP  24  37.894 -15.347  -5.124
  144    HE1  TRP  24           HE1      TRP  24  39.165 -14.182  -7.041
  145    HE3  TRP  24           HE3      TRP  24  39.677 -11.257  -2.642
  146    HZ2  TRP  24           HZ2      TRP  24  40.731 -11.825  -7.465
  147    HZ3  TRP  24           HZ3      TRP  24  41.055  -9.570  -3.824
  148    HH2  TRP  24           HH2      TRP  24  41.583  -9.848  -6.230
  149    H    LYS  25           HN       LYS  25  40.645 -12.788  -1.501
  150    HA   LYS  25           HA       LYS  25  42.299 -12.867  -3.678
  151    HB2  LYS  25           HB2      LYS  25  42.271 -11.254  -1.633
  152    HB3  LYS  25           HB1      LYS  25  43.479 -12.354  -0.964
  153    HG2  LYS  25           HG2      LYS  25  44.843 -12.076  -3.019
  154    HG3  LYS  25           HG1      LYS  25  43.654 -10.928  -3.636
  155    HD2  LYS  25           HD2      LYS  25  44.102  -9.827  -1.214
  156    HD3  LYS  25           HD1      LYS  25  45.671 -10.589  -1.476
  157    HE2  LYS  25           HE2      LYS  25  45.735  -9.491  -3.747
  158    HE3  LYS  25           HE1      LYS  25  44.283  -8.600  -3.291
  159    HZ1  LYS  25           HZ1      LYS  25  45.490  -7.718  -1.376
  160    HZ2  LYS  25           HZ2      LYS  25  46.245  -7.297  -2.839
  161    HZ3  LYS  25           HZ3      LYS  25  46.890  -8.537  -1.871
  162    H    SER  26           HN       SER  26  42.513 -14.822  -0.754
  163    HA   SER  26           HA       SER  26  44.736 -16.352  -1.962
  164    HB2  SER  26           HB2      SER  26  45.164 -15.333   0.273
  165    HB3  SER  26           HB1      SER  26  43.837 -16.290   0.927
  166    HG   SER  26           HG       SER  26  45.119 -18.098  -0.165
  167    H    SER  27           HN       SER  27  41.561 -16.613  -0.437
  168    HA   SER  27           HA       SER  27  41.512 -19.505  -0.860
  169    HB2  SER  27           HB2      SER  27  39.076 -18.120   0.067
  170    HB3  SER  27           HB1      SER  27  39.861 -19.566   0.694
  171    HG   SER  27           HG       SER  27  41.572 -17.899   1.313
  172    H    GLY  28           HN       GLY  28  41.522 -17.502  -3.092
  173    HA2  GLY  28           HA2      GLY  28  39.024 -18.387  -4.418
  174    HA3  GLY  28           HA1      GLY  28  39.692 -16.775  -4.651
  175    H    ALA  29           HN       ALA  29  41.745 -19.577  -4.352
  176    HA   ALA  29           HA       ALA  29  42.280 -19.505  -7.261
  177    HB1  ALA  29           HB1      ALA  29  44.545 -20.173  -5.483
  178    HB2  ALA  29           HB2      ALA  29  44.012 -18.492  -5.433
  179    HB3  ALA  29           HB3      ALA  29  44.513 -19.214  -6.963
  180    H    LEU  30           HN       LEU  30  40.819 -21.309  -5.172
  181    HA   LEU  30           HA       LEU  30  41.663 -23.794  -6.420
  182    HB2  LEU  30           HB2      LEU  30  41.796 -24.897  -4.103
  183    HB3  LEU  30           HB1      LEU  30  43.174 -23.920  -4.612
  184    HG   LEU  30           HG       LEU  30  41.095 -22.354  -3.261
  185   HD11  LEU  30          HD11      LEU  30  42.547 -24.556  -1.760
  186   HD12  LEU  30          HD12      LEU  30  40.802 -24.421  -1.985
  187   HD13  LEU  30          HD13      LEU  30  41.659 -23.235  -0.999
  188   HD21  LEU  30          HD21      LEU  30  44.003 -22.768  -2.531
  189   HD22  LEU  30          HD22      LEU  30  42.997 -21.356  -2.211
  190   HD23  LEU  30          HD23      LEU  30  43.504 -21.721  -3.861
  191    H    ILE  31           HN       ILE  31  39.542 -22.106  -4.156
  192    HA   ILE  31           HA       ILE  31  37.580 -24.193  -4.069
  193    HB   ILE  31           HB       ILE  31  36.926 -21.336  -3.459
  194   HG12  ILE  31          HG12      ILE  31  38.815 -23.157  -1.956
  195   HG13  ILE  31          HG11      ILE  31  39.076 -21.482  -2.442
  196   HG21  ILE  31          HG21      ILE  31  36.359 -23.691  -1.709
  197   HG22  ILE  31          HG22      ILE  31  35.475 -23.566  -3.229
  198   HG23  ILE  31          HG23      ILE  31  35.365 -22.272  -2.036
  199   HD11  ILE  31          HD11      ILE  31  37.295 -22.542  -0.251
  200   HD12  ILE  31          HD12      ILE  31  37.040 -20.938  -0.938
  201   HD13  ILE  31          HD13      ILE  31  38.565 -21.324  -0.142
  202    HA   PRO  32           HA       PRO  32  35.429 -21.078  -7.229
  203    HB2  PRO  32           HB2      PRO  32  37.816 -20.665  -8.954
  204    HB3  PRO  32           HB1      PRO  32  36.536 -19.523  -8.503
  205    HG2  PRO  32           HG2      PRO  32  38.979 -19.364  -7.456
  206    HG3  PRO  32           HG1      PRO  32  37.531 -18.988  -6.506
  207    HD2  PRO  32           HD2      PRO  32  39.263 -21.424  -6.423
  208    HD3  PRO  32           HD1      PRO  32  38.412 -20.603  -5.096
  209    H    ALA  33           HN       ALA  33  37.825 -23.535  -7.681
  210    HA   ALA  33           HA       ALA  33  37.156 -24.407 -10.278
  211    HB1  ALA  33           HB1      ALA  33  38.294 -25.911  -7.913
  212    HB2  ALA  33           HB2      ALA  33  39.193 -25.179  -9.242
  213    HB3  ALA  33           HB3      ALA  33  38.166 -26.582  -9.539
  214    H    ILE  34           HN       ILE  34  36.358 -26.132  -7.258
  215    HA   ILE  34           HA       ILE  34  34.322 -27.698  -8.382
  216    HB   ILE  34           HB       ILE  34  35.026 -26.887  -5.583
  217   HG12  ILE  34          HG12      ILE  34  34.671 -29.608  -6.868
  218   HG13  ILE  34          HG11      ILE  34  36.195 -28.720  -6.904
  219   HG21  ILE  34          HG21      ILE  34  32.476 -28.197  -6.529
  220   HG22  ILE  34          HG22      ILE  34  32.677 -26.910  -5.338
  221   HG23  ILE  34          HG23      ILE  34  33.142 -28.561  -4.937
  222   HD11  ILE  34          HD11      ILE  34  36.637 -29.149  -4.718
  223   HD12  ILE  34          HD12      ILE  34  35.459 -30.448  -4.908
  224   HD13  ILE  34          HD13      ILE  34  34.959 -28.896  -4.236
  225    H    TYR  35           HN       TYR  35  34.154 -24.617  -6.617
  226    HA   TYR  35           HA       TYR  35  31.472 -24.200  -6.394
  227    HB2  TYR  35           HB2      TYR  35  33.790 -22.556  -6.452
  228    HB3  TYR  35           HB1      TYR  35  32.574 -21.795  -7.479
  229    HD1  TYR  35           HD1      TYR  35  30.416 -21.076  -6.568
  230    HD2  TYR  35           HD2      TYR  35  33.392 -22.904  -4.070
  231    HE1  TYR  35           HE1      TYR  35  29.182 -20.327  -4.551
  232    HE2  TYR  35           HE2      TYR  35  32.160 -22.157  -2.052
  233    HH   TYR  35           HH       TYR  35  28.987 -20.644  -2.295
  234    H    MET  36           HN       MET  36  33.394 -23.346  -9.282
  235    HA   MET  36           HA       MET  36  31.273 -22.590 -10.926
  236    HB2  MET  36           HB2      MET  36  34.051 -23.541 -11.360
  237    HB3  MET  36           HB1      MET  36  32.960 -23.638 -12.742
  238    HG2  MET  36           HG2      MET  36  33.292 -21.137 -11.072
  239    HG3  MET  36           HG1      MET  36  34.224 -21.450 -12.536
  240    HE1  MET  36           HE1      MET  36  30.905 -20.279 -10.994
  241    HE2  MET  36           HE2      MET  36  30.552 -19.198 -12.339
  242    HE3  MET  36           HE3      MET  36  32.139 -19.153 -11.577
  243    H    LEU  37           HN       LEU  37  32.923 -25.754 -10.859
  244    HA   LEU  37           HA       LEU  37  31.318 -27.156 -12.594
  245    HB2  LEU  37           HB2      LEU  37  33.392 -27.963 -11.335
  246    HB3  LEU  37           HB1      LEU  37  32.304 -28.343 -10.000
  247    HG   LEU  37           HG       LEU  37  30.930 -29.518 -11.979
  248   HD11  LEU  37          HD11      LEU  37  32.249 -30.342 -13.726
  249   HD12  LEU  37          HD12      LEU  37  33.753 -30.096 -12.836
  250   HD13  LEU  37          HD13      LEU  37  32.896 -28.715 -13.521
  251   HD21  LEU  37          HD21      LEU  37  31.718 -30.615  -9.924
  252   HD22  LEU  37          HD22      LEU  37  33.352 -30.696 -10.580
  253   HD23  LEU  37          HD23      LEU  37  32.057 -31.632 -11.325
  254    H    VAL  38           HN       VAL  38  30.753 -26.478  -9.163
  255    HA   VAL  38           HA       VAL  38  28.252 -27.935  -9.134
  256    HB   VAL  38           HB       VAL  38  29.630 -26.156  -7.121
  257   HG11  VAL  38          HG11      VAL  38  26.931 -27.510  -7.059
  258   HG12  VAL  38          HG12      VAL  38  27.330 -25.843  -6.642
  259   HG13  VAL  38          HG13      VAL  38  27.820 -27.160  -5.576
  260   HG21  VAL  38          HG21      VAL  38  30.428 -28.550  -7.714
  261   HG22  VAL  38          HG22      VAL  38  28.952 -29.091  -6.914
  262   HG23  VAL  38          HG23      VAL  38  30.162 -28.177  -6.011
  263    H    PHE  39           HN       PHE  39  29.278 -24.705  -9.831
  264    HA   PHE  39           HA       PHE  39  26.720 -23.470  -9.322
  265    HB2  PHE  39           HB2      PHE  39  28.971 -22.283  -9.277
  266    HB3  PHE  39           HB1      PHE  39  28.946 -22.365 -11.037
  267    HD1  PHE  39           HD1      PHE  39  27.072 -21.271 -12.308
  268    HD2  PHE  39           HD2      PHE  39  27.618 -20.719  -8.083
  269    HE1  PHE  39           HE1      PHE  39  25.603 -19.274 -12.378
  270    HE2  PHE  39           HE2      PHE  39  26.150 -18.723  -8.153
  271    HZ   PHE  39           HZ       PHE  39  25.141 -18.001 -10.301
  272    H    LEU  40           HN       LEU  40  28.581 -24.037 -12.322
  273    HA   LEU  40           HA       LEU  40  26.435 -23.441 -14.061
  274    HB2  LEU  40           HB2      LEU  40  27.800 -24.557 -15.795
  275    HB3  LEU  40           HB1      LEU  40  28.752 -23.427 -14.834
  276    HG   LEU  40           HG       LEU  40  28.999 -25.764 -13.393
  277   HD11  LEU  40          HD11      LEU  40  29.333 -26.526 -16.300
  278   HD12  LEU  40          HD12      LEU  40  27.849 -26.873 -15.412
  279   HD13  LEU  40          HD13      LEU  40  29.378 -27.578 -14.885
  280   HD21  LEU  40          HD21      LEU  40  30.714 -24.538 -15.568
  281   HD22  LEU  40          HD22      LEU  40  31.275 -25.870 -14.557
  282   HD23  LEU  40          HD23      LEU  40  30.862 -24.321 -13.824
  283    H    LEU  41           HN       LEU  41  26.592 -25.855 -11.878
  284    HA   LEU  41           HA       LEU  41  25.343 -27.909 -13.558
  285    HB2  LEU  41           HB2      LEU  41  26.825 -27.879 -11.049
  286    HB3  LEU  41           HB1      LEU  41  25.342 -28.826 -10.935
  287    HG   LEU  41           HG       LEU  41  27.322 -29.132 -13.206
  288   HD11  LEU  41          HD11      LEU  41  27.445 -30.075 -10.442
  289   HD12  LEU  41          HD12      LEU  41  28.681 -30.127 -11.699
  290   HD13  LEU  41          HD13      LEU  41  27.467 -31.403 -11.603
  291   HD21  LEU  41          HD21      LEU  41  25.832 -30.619 -14.027
  292   HD22  LEU  41          HD22      LEU  41  24.684 -30.032 -12.824
  293   HD23  LEU  41          HD23      LEU  41  25.700 -31.428 -12.465
  294    H    GLY  42           HN       GLY  42  24.625 -26.848 -10.238
  295    HA2  GLY  42           HA2      GLY  42  21.771 -27.171 -10.770
  296    HA3  GLY  42           HA1      GLY  42  22.518 -26.917  -9.197
  297    H    THR  43           HN       THR  43  23.670 -24.796 -11.595
  298    HA   THR  43           HA       THR  43  21.732 -22.705 -10.827
  299    HB   THR  43           HB       THR  43  24.487 -21.764 -11.204
  300    HG1  THR  43           HG1      THR  43  23.909 -23.019  -8.764
  301   HG21  THR  43          HG21      THR  43  22.587 -20.362 -10.451
  302   HG22  THR  43          HG22      THR  43  23.882 -20.407  -9.255
  303   HG23  THR  43          HG23      THR  43  22.426 -21.375  -9.017
  304    H    THR  44           HN       THR  44  22.134 -24.395 -13.244
  305    HA   THR  44           HA       THR  44  22.428 -22.194 -15.198
  306    HB   THR  44           HB       THR  44  23.616 -24.952 -15.246
  307    HG1  THR  44           HG1      THR  44  24.438 -22.391 -15.172
  308   HG21  THR  44          HG21      THR  44  22.646 -23.307 -17.572
  309   HG22  THR  44          HG22      THR  44  22.473 -25.041 -17.296
  310   HG23  THR  44          HG23      THR  44  24.041 -24.372 -17.746
  311    H    GLY  45           HN       GLY  45  21.209 -25.498 -14.690
  312    HA2  GLY  45           HA2      GLY  45  18.943 -24.880 -16.490
  313    HA3  GLY  45           HA1      GLY  45  19.561 -26.500 -16.176
  314    H    ASN  46           HN       ASN  46  19.699 -24.848 -13.330
  315    HA   ASN  46           HA       ASN  46  17.034 -25.810 -12.472
  316    HB2  ASN  46           HB2      ASN  46  19.673 -25.797 -11.001
  317    HB3  ASN  46           HB1      ASN  46  18.124 -26.098 -10.216
  318   HD21  ASN  46          HD21      ASN  46  20.494 -27.442 -12.473
  319   HD22  ASN  46          HD22      ASN  46  19.810 -28.995 -12.537
  320    H    GLY  47           HN       GLY  47  19.603 -23.692 -11.189
  321    HA2  GLY  47           HA2      GLY  47  17.887 -21.985  -9.769
  322    HA3  GLY  47           HA1      GLY  47  19.524 -21.582 -10.279
  323    H    LEU  48           HN       LEU  48  19.409 -21.522 -12.967
  324    HA   LEU  48           HA       LEU  48  18.396 -19.035 -13.602
  325    HB2  LEU  48           HB2      LEU  48  19.797 -20.995 -14.959
  326    HB3  LEU  48           HB1      LEU  48  18.287 -20.886 -15.863
  327    HG   LEU  48           HG       LEU  48  18.585 -18.384 -15.918
  328   HD11  LEU  48          HD11      LEU  48  20.686 -19.025 -14.090
  329   HD12  LEU  48          HD12      LEU  48  20.191 -17.432 -14.662
  330   HD13  LEU  48          HD13      LEU  48  21.422 -18.339 -15.539
  331   HD21  LEU  48          HD21      LEU  48  20.133 -20.429 -17.324
  332   HD22  LEU  48          HD22      LEU  48  20.928 -18.854 -17.342
  333   HD23  LEU  48          HD23      LEU  48  19.288 -19.022 -17.971
  334    H    VAL  49           HN       VAL  49  16.845 -22.198 -14.116
  335    HA   VAL  49           HA       VAL  49  14.493 -21.198 -15.317
  336    HB   VAL  49           HB       VAL  49  15.204 -23.750 -13.901
  337   HG11  VAL  49          HG11      VAL  49  12.842 -24.471 -14.736
  338   HG12  VAL  49          HG12      VAL  49  12.475 -22.746 -14.689
  339   HG13  VAL  49          HG13      VAL  49  12.961 -23.585 -13.216
  340   HG21  VAL  49          HG21      VAL  49  15.919 -23.359 -16.248
  341   HG22  VAL  49          HG22      VAL  49  14.236 -23.095 -16.704
  342   HG23  VAL  49          HG23      VAL  49  14.757 -24.680 -16.134
  343    H    LEU  50           HN       LEU  50  14.940 -22.427 -11.991
  344    HA   LEU  50           HA       LEU  50  12.484 -21.515 -10.990
  345    HB2  LEU  50           HB2      LEU  50  15.095 -21.881  -9.499
  346    HB3  LEU  50           HB1      LEU  50  13.492 -21.800  -8.768
  347    HG   LEU  50           HG       LEU  50  14.380 -23.884 -10.789
  348   HD11  LEU  50          HD11      LEU  50  14.437 -25.431  -8.925
  349   HD12  LEU  50          HD12      LEU  50  13.848 -24.189  -7.820
  350   HD13  LEU  50          HD13      LEU  50  15.460 -24.052  -8.524
  351   HD21  LEU  50          HD21      LEU  50  12.198 -24.943  -9.698
  352   HD22  LEU  50          HD22      LEU  50  12.075 -23.823 -11.054
  353   HD23  LEU  50          HD23      LEU  50  11.792 -23.251  -9.411
  354    H    TRP  51           HN       TRP  51  15.422 -19.833 -11.686
  355    HA   TRP  51           HA       TRP  51  14.788 -17.538 -10.023
  356    HB2  TRP  51           HB2      TRP  51  17.124 -18.068 -10.333
  357    HB3  TRP  51           HB1      TRP  51  16.942 -18.022 -12.086
  358    HD1  TRP  51           HD1      TRP  51  17.148 -15.772  -9.026
  359    HE1  TRP  51           HE1      TRP  51  17.499 -13.339  -9.801
  360    HE3  TRP  51           HE3      TRP  51  16.517 -16.346 -14.061
  361    HZ2  TRP  51           HZ2      TRP  51  17.513 -11.834 -12.232
  362    HZ3  TRP  51           HZ3      TRP  51  16.705 -14.398 -15.581
  363    HH2  TRP  51           HH2      TRP  51  17.202 -12.145 -14.673
  364    H    THR  52           HN       THR  52  14.714 -18.414 -13.447
  365    HA   THR  52           HA       THR  52  13.864 -15.819 -14.335
  366    HB   THR  52           HB       THR  52  13.807 -18.525 -15.692
  367    HG1  THR  52           HG1      THR  52  15.546 -17.335 -16.864
  368   HG21  THR  52          HG21      THR  52  12.211 -17.301 -16.883
  369   HG22  THR  52          HG22      THR  52  13.696 -16.918 -17.753
  370   HG23  THR  52          HG23      THR  52  13.032 -15.766 -16.596
  371    H    VAL  53           HN       VAL  53  12.237 -18.956 -13.886
  372    HA   VAL  53           HA       VAL  53   9.668 -18.190 -14.661
  373    HB   VAL  53           HB       VAL  53  10.661 -20.247 -12.694
  374   HG11  VAL  53          HG11      VAL  53   8.205 -21.106 -13.008
  375   HG12  VAL  53          HG12      VAL  53   7.852 -19.419 -13.379
  376   HG13  VAL  53          HG13      VAL  53   8.528 -19.853 -11.810
  377   HG21  VAL  53          HG21      VAL  53   9.147 -20.747 -15.239
  378   HG22  VAL  53          HG22      VAL  53  10.352 -21.759 -14.443
  379   HG23  VAL  53          HG23      VAL  53  10.855 -20.317 -15.326
  380    H    PHE  54           HN       PHE  54  11.365 -17.761 -11.613
  381    HA   PHE  54           HA       PHE  54   9.084 -16.852 -10.139
  382    HB2  PHE  54           HB2      PHE  54  12.021 -17.010  -9.698
  383    HB3  PHE  54           HB1      PHE  54  11.126 -15.834  -8.733
  384    HD1  PHE  54           HD1      PHE  54  10.196 -19.226 -10.035
  385    HD2  PHE  54           HD2      PHE  54  10.807 -16.730  -6.592
  386    HE1  PHE  54           HE1      PHE  54   9.382 -21.051  -8.567
  387    HE2  PHE  54           HE2      PHE  54   9.993 -18.555  -5.124
  388    HZ   PHE  54           HZ       PHE  54   9.281 -20.716  -6.112
  389    H    ARG  55           HN       ARG  55  11.081 -15.448 -12.507
  390    HA   ARG  55           HA       ARG  55  10.372 -12.714 -11.652
  391    HB2  ARG  55           HB2      ARG  55  12.676 -13.899 -13.036
  392    HB3  ARG  55           HB1      ARG  55  12.073 -12.418 -13.780
  393    HG2  ARG  55           HG2      ARG  55  12.358 -11.168 -11.777
  394    HG3  ARG  55           HG1      ARG  55  12.560 -12.627 -10.806
  395    HD2  ARG  55           HD2      ARG  55  14.636 -11.132 -11.750
  396    HD3  ARG  55           HD1      ARG  55  14.755 -12.844 -11.355
  397    HE   ARG  55           HE       ARG  55  14.827 -13.328 -13.642
  398   HH11  ARG  55          HH21      ARG  55  13.988 -10.026 -13.040
  399   HH12  ARG  55          HH22      ARG  55  14.173  -9.534 -14.691
  400   HH21  ARG  55          HH11      ARG  55  15.075 -12.690 -15.808
  401   HH22  ARG  55          HH12      ARG  55  14.788 -11.042 -16.258
  402    H    LYS  56           HN       LYS  56   9.036 -15.045 -13.425
  403    HA   LYS  56           HA       LYS  56   8.127 -13.205 -15.557
  404    HB2  LYS  56           HB2      LYS  56   8.295 -14.870 -17.071
  405    HB3  LYS  56           HB1      LYS  56   9.331 -15.648 -15.878
  406    HG2  LYS  56           HG2      LYS  56   7.252 -16.740 -14.917
  407    HG3  LYS  56           HG1      LYS  56   6.359 -16.107 -16.305
  408    HD2  LYS  56           HD2      LYS  56   8.739 -17.380 -17.268
  409    HD3  LYS  56           HD1      LYS  56   7.913 -18.485 -16.170
  410    HE2  LYS  56           HE2      LYS  56   6.687 -17.076 -18.556
  411    HE3  LYS  56           HE1      LYS  56   7.041 -18.799 -18.425
  412    HZ1  LYS  56           HZ1      LYS  56   5.506 -17.992 -16.211
  413    HZ2  LYS  56           HZ2      LYS  56   5.110 -19.111 -17.425
  414    HZ3  LYS  56           HZ3      LYS  56   4.733 -17.467 -17.626
  415    H    LYS  57           HN       LYS  57   7.228 -15.251 -12.915
  416    HA   LYS  57           HA       LYS  57   4.370 -14.955 -13.550
  417    HB2  LYS  57           HB2      LYS  57   5.972 -16.832 -11.885
  418    HB3  LYS  57           HB1      LYS  57   4.333 -16.463 -11.344
  419    HG2  LYS  57           HG2      LYS  57   3.391 -17.199 -13.428
  420    HG3  LYS  57           HG1      LYS  57   4.985 -17.320 -14.173
  421    HD2  LYS  57           HD2      LYS  57   5.594 -19.171 -12.764
  422    HD3  LYS  57           HD1      LYS  57   4.159 -18.953 -11.761
  423    HE2  LYS  57           HE2      LYS  57   4.069 -20.824 -13.527
  424    HE3  LYS  57           HE1      LYS  57   2.707 -19.705 -13.480
  425    HZ1  LYS  57           HZ1      LYS  57   3.265 -18.801 -15.447
  426    HZ2  LYS  57           HZ2      LYS  57   4.052 -20.285 -15.695
  427    HZ3  LYS  57           HZ3      LYS  57   4.934 -18.930 -15.173
  428    H    GLY  58           HN       GLY  58   6.842 -14.003 -11.262
  429    HA2  GLY  58           HA2      GLY  58   4.912 -12.767  -9.458
  430    HA3  GLY  58           HA1      GLY  58   6.659 -12.813  -9.248
  431    H    HIS  59           HN       HIS  59   7.319 -11.819 -11.865
  432    HA   HIS  59           HA       HIS  59   7.285  -9.042 -11.358
  433    HB2  HIS  59           HB2      HIS  59   8.912 -10.423 -12.813
  434    HB3  HIS  59           HB1      HIS  59   7.712 -10.225 -14.091
  435    HD2  HIS  59           HD2      HIS  59   9.178  -7.521 -11.537
  436    HE1  HIS  59           HE1      HIS  59   9.367  -5.993 -15.468
  437    HE2  HIS  59           HE2      HIS  59   9.831  -5.477 -13.025
  438    H    HIS  60           HN       HIS  60   5.181 -11.148 -13.203
  439    HA   HIS  60           HA       HIS  60   3.824  -9.128 -14.674
  440    HB2  HIS  60           HB2      HIS  60   3.044 -11.932 -13.860
  441    HB3  HIS  60           HB1      HIS  60   2.029 -10.906 -14.873
  442    HD2  HIS  60           HD2      HIS  60   5.582 -10.158 -15.870
  443    HE1  HIS  60           HE1      HIS  60   4.403 -13.334 -18.388
  444    HE2  HIS  60           HE2      HIS  60   6.163 -11.546 -18.004
  445    H    HIS  61           HN       HIS  61   1.555 -10.972 -12.987
  446    HA   HIS  61           HA       HIS  61   1.129  -9.180 -10.773
  447    HB2  HIS  61           HB2      HIS  61   0.211  -7.738 -12.464
  448    HB3  HIS  61           HB1      HIS  61  -0.706  -9.068 -13.174
  449    HD2  HIS  61           HD2      HIS  61  -0.852  -8.977  -9.311
  450    HE1  HIS  61           HE1      HIS  61  -4.459  -7.291 -10.711
  451    HE2  HIS  61           HE2      HIS  61  -3.240  -8.148  -8.656
  452    H    HIS  62           HN       HIS  62  -1.513 -10.629 -12.546
  453    HA   HIS  62           HA       HIS  62  -1.521 -12.961 -10.755
  454    HB2  HIS  62           HB2      HIS  62  -3.412 -10.718 -10.701
  455    HB3  HIS  62           HB1      HIS  62  -4.187 -12.296 -10.850
  456    HD2  HIS  62           HD2      HIS  62  -3.490 -10.213  -7.981
  457    HE1  HIS  62           HE1      HIS  62  -2.151 -13.987  -6.643
  458    HE2  HIS  62           HE2      HIS  62  -2.804 -11.645  -5.908
  459    H    HIS  63           HN       HIS  63  -2.619 -11.347 -13.662
  460    HA   HIS  63           HA       HIS  63  -3.297 -13.985 -14.816
  461    HB2  HIS  63           HB2      HIS  63  -4.791 -11.375 -15.048
  462    HB3  HIS  63           HB1      HIS  63  -4.988 -12.675 -16.223
  463    HD2  HIS  63           HD2      HIS  63  -5.951 -15.181 -14.988
  464    HE1  HIS  63           HE1      HIS  63  -7.596 -13.181 -11.653
  465    HE2  HIS  63           HE2      HIS  63  -7.536 -15.380 -12.921
  466    H    HIS  64           HN       HIS  64  -0.761 -12.823 -14.979
  467    HA   HIS  64           HA       HIS  64   0.867 -12.307 -16.514
  468    HB2  HIS  64           HB2      HIS  64   0.657 -13.690 -18.261
  469    HB3  HIS  64           HB1      HIS  64  -1.050 -13.907 -17.870
  470    HD2  HIS  64           HD2      HIS  64   1.045 -12.414 -20.681
  471    HE1  HIS  64           HE1      HIS  64  -2.785 -10.680 -21.064
  472    HE2  HIS  64           HE2      HIS  64  -0.541 -11.008 -22.207
  Start of MODEL   21
    1    H1   MET   1           HT1      MET   1  33.018  -2.483  -8.673
    2    H2   MET   1           HT2      MET   1  32.738  -2.604 -10.345
    3    H3   MET   1           HT3      MET   1  34.007  -3.477  -9.627
    4    HA   MET   1           HA       MET   1  31.146  -3.891  -8.965
    5    HB2  MET   1           HB2      MET   1  31.488  -6.020 -10.326
    6    HB3  MET   1           HB1      MET   1  31.393  -4.527 -11.262
    7    HG2  MET   1           HG2      MET   1  34.109  -5.259 -10.347
    8    HG3  MET   1           HG1      MET   1  33.397  -6.358 -11.528
    9    HE1  MET   1           HE1      MET   1  31.939  -5.365 -13.514
   10    HE2  MET   1           HE2      MET   1  33.518  -5.984 -13.992
   11    HE3  MET   1           HE3      MET   1  32.925  -4.477 -14.684
   12    H    GLU   2           HN       GLU   2  33.796  -3.631  -7.466
   13    HA   GLU   2           HA       GLU   2  34.045  -6.367  -6.409
   14    HB2  GLU   2           HB2      GLU   2  35.757  -3.945  -5.809
   15    HB3  GLU   2           HB1      GLU   2  36.106  -5.622  -5.389
   16    HG2  GLU   2           HG2      GLU   2  35.823  -4.551  -8.213
   17    HG3  GLU   2           HG1      GLU   2  37.350  -4.912  -7.411
   18    H    GLU   3           HN       GLU   3  33.516  -6.886  -4.338
   19    HA   GLU   3           HA       GLU   3  31.583  -5.400  -2.964
   20    HB2  GLU   3           HB2      GLU   3  32.583  -7.926  -2.740
   21    HB3  GLU   3           HB1      GLU   3  33.260  -7.164  -1.300
   22    HG2  GLU   3           HG2      GLU   3  30.903  -6.266  -0.853
   23    HG3  GLU   3           HG1      GLU   3  30.352  -7.399  -2.086
   24    H    GLY   4           HN       GLY   4  31.887  -4.728  -0.591
   25    HA2  GLY   4           HA2      GLY   4  34.457  -3.681   0.174
   26    HA3  GLY   4           HA1      GLY   4  33.347  -2.427  -0.372
   27    H    GLY   5           HN       GLY   5  34.465  -3.938   2.309
   28    HA2  GLY   5           HA2      GLY   5  32.031  -4.230   3.821
   29    HA3  GLY   5           HA1      GLY   5  33.672  -4.294   4.458
   30    H    ASP   6           HN       ASP   6  34.813  -2.204   4.699
   31    HA   ASP   6           HA       ASP   6  33.203   0.206   4.777
   32    HB2  ASP   6           HB2      ASP   6  33.715   0.561   7.232
   33    HB3  ASP   6           HB1      ASP   6  32.504  -0.672   6.883
   34    H    PHE   7           HN       PHE   7  35.211   0.092   3.171
   35    HA   PHE   7           HA       PHE   7  37.293   0.894   2.606
   36    HB2  PHE   7           HB2      PHE   7  36.948   2.692   5.008
   37    HB3  PHE   7           HB1      PHE   7  37.856   3.020   3.532
   38    HD1  PHE   7           HD1      PHE   7  36.580   3.153   1.321
   39    HD2  PHE   7           HD2      PHE   7  34.641   3.204   5.154
   40    HE1  PHE   7           HE1      PHE   7  34.542   4.108   0.278
   41    HE2  PHE   7           HE2      PHE   7  32.603   4.159   4.111
   42    HZ   PHE   7           HZ       PHE   7  32.555   4.612   1.673
   43    H    ASP   8           HN       ASP   8  37.722  -1.409   3.744
   44    HA   ASP   8           HA       ASP   8  40.179  -1.015   5.237
   45    HB2  ASP   8           HB2      ASP   8  37.758  -2.346   6.445
   46    HB3  ASP   8           HB1      ASP   8  39.394  -2.713   6.991
   47    H    ASN   9           HN       ASN   9  39.409  -2.072   2.639
   48    HA   ASN   9           HA       ASN   9  39.278  -4.837   2.461
   49    HB2  ASN   9           HB2      ASN   9  40.791  -4.328   0.319
   50    HB3  ASN   9           HB1      ASN   9  39.086  -3.882   0.386
   51   HD21  ASN   9          HD21      ASN   9  38.564  -1.645   0.360
   52   HD22  ASN   9          HD22      ASN   9  39.734  -0.416   0.311
   53    H    TYR  10           HN       TYR  10  42.319  -3.222   1.639
   54    HA   TYR  10           HA       TYR  10  44.045  -5.289   1.993
   55    HB2  TYR  10           HB2      TYR  10  44.260  -2.408   1.973
   56    HB3  TYR  10           HB1      TYR  10  45.416  -3.106   3.106
   57    HD1  TYR  10           HD2      TYR  10  44.128  -3.451  -0.389
   58    HD2  TYR  10           HD1      TYR  10  47.392  -4.117   2.324
   59    HE1  TYR  10           HE2      TYR  10  45.559  -4.164  -2.286
   60    HE2  TYR  10           HE1      TYR  10  48.823  -4.830   0.426
   61    HH   TYR  10           HH       TYR  10  47.523  -5.018  -2.885
   62    H    TYR  11           HN       TYR  11  45.107  -6.305   3.649
   63    HA   TYR  11           HA       TYR  11  45.442  -7.125   5.768
   64    HB2  TYR  11           HB2      TYR  11  46.199  -4.599   5.916
   65    HB3  TYR  11           HB1      TYR  11  44.773  -4.459   6.945
   66    HD1  TYR  11           HD1      TYR  11  47.891  -6.461   6.457
   67    HD2  TYR  11           HD2      TYR  11  44.830  -5.187   9.187
   68    HE1  TYR  11           HE1      TYR  11  49.146  -7.478   8.338
   69    HE2  TYR  11           HE2      TYR  11  46.085  -6.204  11.069
   70    HH   TYR  11           HH       TYR  11  47.759  -7.775  11.524
   71    H    GLY  12           HN       GLY  12  42.876  -7.486   4.705
   72    HA2  GLY  12           HA2      GLY  12  41.403  -8.253   6.964
   73    HA3  GLY  12           HA1      GLY  12  40.768  -6.706   6.411
   74    H    ALA  13           HN       ALA  13  41.444  -7.296   3.599
   75    HA   ALA  13           HA       ALA  13  39.130  -9.021   3.022
   76    HB1  ALA  13           HB1      ALA  13  38.778  -7.052   1.861
   77    HB2  ALA  13           HB2      ALA  13  39.627  -7.997   0.638
   78    HB3  ALA  13           HB3      ALA  13  40.499  -6.786   1.579
   79    H    ASP  14           HN       ASP  14  42.568  -8.841   2.746
   80    HA   ASP  14           HA       ASP  14  42.601 -11.212   0.980
   81    HB2  ASP  14           HB2      ASP  14  44.551  -8.979   1.453
   82    HB3  ASP  14           HB1      ASP  14  45.113 -10.534   0.840
   83    H    ASN  15           HN       ASN  15  43.076 -10.145   4.167
   84    HA   ASN  15           HA       ASN  15  45.150 -11.786   5.086
   85    HB2  ASN  15           HB2      ASN  15  42.910 -10.303   6.276
   86    HB3  ASN  15           HB1      ASN  15  43.420 -11.709   7.211
   87   HD21  ASN  15          HD21      ASN  15  44.856 -11.000   8.793
   88   HD22  ASN  15          HD22      ASN  15  46.111  -9.886   8.535
   89    H    GLN  16           HN       GLN  16  41.947 -12.563   4.076
   90    HA   GLN  16           HA       GLN  16  41.886 -15.128   5.449
   91    HB2  GLN  16           HB2      GLN  16  39.712 -15.407   4.457
   92    HB3  GLN  16           HB1      GLN  16  39.825 -13.742   5.032
   93    HG2  GLN  16           HG2      GLN  16  40.822 -13.489   2.500
   94    HG3  GLN  16           HG1      GLN  16  39.635 -14.772   2.271
   95   HE21  GLN  16          HE21      GLN  16  37.446 -14.155   2.181
   96   HE22  GLN  16          HE22      GLN  16  36.886 -12.589   2.524
   97    H    SER  17           HN       SER  17  43.189 -13.874   2.589
   98    HA   SER  17           HA       SER  17  43.047 -16.428   1.152
   99    HB2  SER  17           HB2      SER  17  43.722 -15.255  -0.762
  100    HB3  SER  17           HB1      SER  17  42.706 -14.090   0.083
  101    HG   SER  17           HG       SER  17  44.413 -12.870   0.006
  102    H    GLU  18           HN       GLU  18  45.393 -14.223   2.621
  103    HA   GLU  18           HA       GLU  18  47.757 -15.491   1.839
  104    HB2  GLU  18           HB2      GLU  18  48.826 -14.252   3.522
  105    HB3  GLU  18           HB1      GLU  18  47.409 -13.275   3.136
  106    HG2  GLU  18           HG2      GLU  18  46.236 -14.630   5.019
  107    HG3  GLU  18           HG1      GLU  18  47.872 -15.052   5.523
  108    H    CYS  19           HN       CYS  19  45.250 -16.796   3.587
  109    HA   CYS  19           HA       CYS  19  46.981 -18.588   5.157
  110    HB2  CYS  19           HB2      CYS  19  44.919 -17.364   6.133
  111    HB3  CYS  19           HB1      CYS  19  43.974 -18.559   5.245
  112    HG   CYS  19           HG       CYS  19  46.173 -19.556   7.220
  113    H    GLU  20           HN       GLU  20  44.475 -18.585   2.660
  114    HA   GLU  20           HA       GLU  20  44.665 -21.479   2.341
  115    HB2  GLU  20           HB2      GLU  20  42.801 -21.304   0.904
  116    HB3  GLU  20           HB1      GLU  20  42.502 -20.097   2.157
  117    HG2  GLU  20           HG2      GLU  20  42.116 -18.806   0.280
  118    HG3  GLU  20           HG1      GLU  20  43.846 -18.532   0.480
  119    H    TYR  21           HN       TYR  21  46.183 -18.693   1.139
  120    HA   TYR  21           HA       TYR  21  46.729 -19.545  -1.527
  121    HB2  TYR  21           HB2      TYR  21  47.171 -17.316  -1.413
  122    HB3  TYR  21           HB1      TYR  21  47.647 -17.392   0.284
  123    HD1  TYR  21           HD2      TYR  21  48.782 -18.297  -3.160
  124    HD2  TYR  21           HD1      TYR  21  49.925 -17.457   0.894
  125    HE1  TYR  21           HE2      TYR  21  51.170 -18.315  -3.830
  126    HE2  TYR  21           HE1      TYR  21  52.313 -17.475   0.225
  127    HH   TYR  21           HH       TYR  21  53.432 -17.048  -2.598
  128    H    THR  22           HN       THR  22  48.482 -19.812   1.544
  129    HA   THR  22           HA       THR  22  50.776 -21.088   0.393
  130    HB   THR  22           HB       THR  22  50.542 -21.750   3.149
  131    HG1  THR  22           HG1      THR  22  49.503 -19.267   2.383
  132   HG21  THR  22          HG21      THR  22  52.087 -19.609   1.662
  133   HG22  THR  22          HG22      THR  22  52.630 -21.253   1.995
  134   HG23  THR  22          HG23      THR  22  52.413 -20.110   3.321
  135    H    ASP  23           HN       ASP  23  47.838 -22.186   0.236
  136    HA   ASP  23           HA       ASP  23  48.645 -24.988   0.656
  137    HB2  ASP  23           HB2      ASP  23  45.927 -23.905   1.420
  138    HB3  ASP  23           HB1      ASP  23  46.530 -25.544   1.665
  139    H    TRP  24           HN       TRP  24  46.535 -22.647  -0.911
  140    HA   TRP  24           HA       TRP  24  45.127 -24.373  -2.615
  141    HB2  TRP  24           HB2      TRP  24  44.196 -22.329  -2.868
  142    HB3  TRP  24           HB1      TRP  24  45.701 -21.494  -2.482
  143    HD1  TRP  24           HD1      TRP  24  43.793 -23.052  -5.401
  144    HE1  TRP  24           HE1      TRP  24  44.823 -22.208  -7.609
  145    HE3  TRP  24           HE3      TRP  24  47.862 -20.557  -3.581
  146    HZ2  TRP  24           HZ2      TRP  24  47.075 -20.678  -8.487
  147    HZ3  TRP  24           HZ3      TRP  24  49.431 -19.417  -5.124
  148    HH2  TRP  24           HH2      TRP  24  49.043 -19.474  -7.572
  149    H    LYS  25           HN       LYS  25  48.335 -22.944  -2.883
  150    HA   LYS  25           HA       LYS  25  48.913 -23.424  -5.554
  151    HB2  LYS  25           HB2      LYS  25  50.355 -22.294  -3.740
  152    HB3  LYS  25           HB1      LYS  25  50.929 -23.920  -3.372
  153    HG2  LYS  25           HG2      LYS  25  51.643 -24.211  -5.708
  154    HG3  LYS  25           HG1      LYS  25  51.046 -22.599  -6.100
  155    HD2  LYS  25           HD2      LYS  25  52.611 -21.714  -4.295
  156    HD3  LYS  25           HD1      LYS  25  53.331 -23.323  -4.254
  157    HE2  LYS  25           HE2      LYS  25  54.655 -22.019  -5.774
  158    HE3  LYS  25           HE1      LYS  25  53.682 -23.110  -6.761
  159    HZ1  LYS  25           HZ1      LYS  25  53.489 -20.996  -7.735
  160    HZ2  LYS  25           HZ2      LYS  25  53.230 -20.230  -6.241
  161    HZ3  LYS  25           HZ3      LYS  25  52.031 -21.237  -6.901
  162    H    SER  26           HN       SER  26  48.927 -25.655  -2.823
  163    HA   SER  26           HA       SER  26  49.818 -27.847  -4.560
  164    HB2  SER  26           HB2      SER  26  50.843 -28.509  -2.679
  165    HB3  SER  26           HB1      SER  26  50.040 -27.243  -1.753
  166    HG   SER  26           HG       SER  26  49.303 -29.910  -2.197
  167    H    SER  27           HN       SER  27  47.092 -26.916  -2.486
  168    HA   SER  27           HA       SER  27  45.547 -29.235  -3.335
  169    HB2  SER  27           HB2      SER  27  44.977 -26.937  -1.463
  170    HB3  SER  27           HB1      SER  27  43.770 -28.149  -1.881
  171    HG   SER  27           HG       SER  27  46.188 -28.418  -0.467
  172    H    GLY  28           HN       GLY  28  46.401 -26.950  -5.167
  173    HA2  GLY  28           HA2      GLY  28  43.883 -25.716  -5.931
  174    HA3  GLY  28           HA1      GLY  28  45.444 -25.483  -6.712
  175    H    ALA  29           HN       ALA  29  45.257 -28.702  -6.422
  176    HA   ALA  29           HA       ALA  29  44.309 -29.020  -9.176
  177    HB1  ALA  29           HB1      ALA  29  45.673 -30.844  -9.307
  178    HB2  ALA  29           HB2      ALA  29  45.328 -31.352  -7.654
  179    HB3  ALA  29           HB3      ALA  29  46.481 -30.051  -7.954
  180    H    LEU  30           HN       LEU  30  42.414 -28.512  -7.011
  181    HA   LEU  30           HA       LEU  30  40.499 -30.534  -7.644
  182    HB2  LEU  30           HB2      LEU  30  40.183 -31.416  -5.359
  183    HB3  LEU  30           HB1      LEU  30  41.778 -31.818  -5.995
  184    HG   LEU  30           HG       LEU  30  42.199 -29.360  -4.796
  185   HD11  LEU  30          HD11      LEU  30  39.944 -29.470  -3.776
  186   HD12  LEU  30          HD12      LEU  30  41.209 -29.554  -2.550
  187   HD13  LEU  30          HD13      LEU  30  40.360 -31.019  -3.043
  188   HD21  LEU  30          HD21      LEU  30  43.757 -31.169  -4.600
  189   HD22  LEU  30          HD22      LEU  30  42.566 -32.198  -3.805
  190   HD23  LEU  30          HD23      LEU  30  43.233 -30.803  -2.956
  191    H    ILE  31           HN       ILE  31  41.509 -27.865  -5.588
  192    HA   ILE  31           HA       ILE  31  39.038 -27.135  -4.520
  193    HB   ILE  31           HB       ILE  31  41.563 -25.637  -5.107
  194   HG12  ILE  31          HG12      ILE  31  39.986 -26.004  -2.553
  195   HG13  ILE  31          HG11      ILE  31  41.186 -27.171  -3.112
  196   HG21  ILE  31          HG21      ILE  31  39.983 -23.908  -5.567
  197   HG22  ILE  31          HG22      ILE  31  40.400 -23.696  -3.869
  198   HG23  ILE  31          HG23      ILE  31  38.887 -24.480  -4.312
  199   HD11  ILE  31          HD11      ILE  31  42.064 -24.340  -3.087
  200   HD12  ILE  31          HD12      ILE  31  42.945 -25.796  -2.626
  201   HD13  ILE  31          HD13      ILE  31  41.793 -25.070  -1.505
  202    HA   PRO  32           HA       PRO  32  38.386 -24.079  -8.286
  203    HB2  PRO  32           HB2      PRO  32  39.610 -25.087 -10.604
  204    HB3  PRO  32           HB1      PRO  32  40.145 -23.677  -9.672
  205    HG2  PRO  32           HG2      PRO  32  41.135 -26.474  -9.607
  206    HG3  PRO  32           HG1      PRO  32  42.026 -24.952  -9.438
  207    HD2  PRO  32           HD2      PRO  32  41.505 -26.469  -7.299
  208    HD3  PRO  32           HD1      PRO  32  41.436 -24.697  -7.197
  209    H    ALA  33           HN       ALA  33  39.106 -27.422  -9.322
  210    HA   ALA  33           HA       ALA  33  37.066 -27.914 -11.066
  211    HB1  ALA  33           HB1      ALA  33  37.414 -30.184 -10.699
  212    HB2  ALA  33           HB2      ALA  33  37.664 -29.970  -8.966
  213    HB3  ALA  33           HB3      ALA  33  38.922 -29.490 -10.104
  214    H    ILE  34           HN       ILE  34  36.796 -28.837  -7.626
  215    HA   ILE  34           HA       ILE  34  34.073 -29.323  -7.587
  216    HB   ILE  34           HB       ILE  34  36.041 -28.451  -5.503
  217   HG12  ILE  34          HG12      ILE  34  35.563 -30.854  -6.515
  218   HG13  ILE  34          HG11      ILE  34  35.882 -30.657  -4.793
  219   HG21  ILE  34          HG21      ILE  34  33.037 -28.529  -5.238
  220   HG22  ILE  34          HG22      ILE  34  34.162 -27.295  -4.669
  221   HG23  ILE  34          HG23      ILE  34  34.081 -28.856  -3.854
  222   HD11  ILE  34          HD11      ILE  34  33.828 -32.077  -5.483
  223   HD12  ILE  34          HD12      ILE  34  33.065 -30.537  -5.873
  224   HD13  ILE  34          HD13      ILE  34  33.599 -30.864  -4.225
  225    H    TYR  35           HN       TYR  35  35.769 -26.263  -6.978
  226    HA   TYR  35           HA       TYR  35  33.622 -24.650  -6.290
  227    HB2  TYR  35           HB2      TYR  35  36.328 -24.279  -7.223
  228    HB3  TYR  35           HB1      TYR  35  35.260 -23.078  -7.949
  229    HD1  TYR  35           HD2      TYR  35  36.606 -24.425  -4.796
  230    HD2  TYR  35           HD1      TYR  35  34.076 -21.447  -6.575
  231    HE1  TYR  35           HE2      TYR  35  36.550 -23.188  -2.645
  232    HE2  TYR  35           HE1      TYR  35  34.019 -20.209  -4.428
  233    HH   TYR  35           HH       TYR  35  34.330 -20.804  -1.956
  234    H    MET  36           HN       MET  36  35.011 -24.935  -9.571
  235    HA   MET  36           HA       MET  36  32.992 -23.552 -10.915
  236    HB2  MET  36           HB2      MET  36  35.085 -25.520 -11.687
  237    HB3  MET  36           HB1      MET  36  33.776 -25.244 -12.836
  238    HG2  MET  36           HG2      MET  36  35.810 -23.718 -13.081
  239    HG3  MET  36           HG1      MET  36  34.247 -22.908 -12.965
  240    HE1  MET  36           HE1      MET  36  33.671 -21.195 -11.448
  241    HE2  MET  36           HE2      MET  36  35.132 -20.632 -12.256
  242    HE3  MET  36           HE3      MET  36  34.920 -20.341 -10.532
  243    H    LEU  37           HN       LEU  37  33.394 -27.098 -10.716
  244    HA   LEU  37           HA       LEU  37  31.054 -27.888 -11.927
  245    HB2  LEU  37           HB2      LEU  37  32.929 -29.350 -10.998
  246    HB3  LEU  37           HB1      LEU  37  32.112 -29.230  -9.439
  247    HG   LEU  37           HG       LEU  37  30.021 -29.866 -11.083
  248   HD11  LEU  37          HD11      LEU  37  31.648 -30.157 -12.976
  249   HD12  LEU  37          HD12      LEU  37  30.736 -31.620 -12.601
  250   HD13  LEU  37          HD13      LEU  37  32.407 -31.461 -12.062
  251   HD21  LEU  37          HD21      LEU  37  30.308 -32.178 -10.174
  252   HD22  LEU  37          HD22      LEU  37  30.522 -30.935  -8.942
  253   HD23  LEU  37          HD23      LEU  37  31.929 -31.734  -9.640
  254    H    VAL  38           HN       VAL  38  31.485 -26.459  -8.778
  255    HA   VAL  38           HA       VAL  38  28.708 -27.023  -8.027
  256    HB   VAL  38           HB       VAL  38  31.061 -25.843  -6.555
  257   HG11  VAL  38          HG11      VAL  38  29.350 -25.869  -4.599
  258   HG12  VAL  38          HG12      VAL  38  28.126 -25.836  -5.869
  259   HG13  VAL  38          HG13      VAL  38  29.292 -24.520  -5.734
  260   HG21  VAL  38          HG21      VAL  38  30.882 -28.317  -6.768
  261   HG22  VAL  38          HG22      VAL  38  29.280 -28.246  -6.035
  262   HG23  VAL  38          HG23      VAL  38  30.701 -27.784  -5.098
  263    H    PHE  39           HN       PHE  39  30.640 -24.549  -9.411
  264    HA   PHE  39           HA       PHE  39  28.886 -22.365  -8.650
  265    HB2  PHE  39           HB2      PHE  39  31.440 -22.266  -9.145
  266    HB3  PHE  39           HB1      PHE  39  30.941 -22.220 -10.837
  267    HD1  PHE  39           HD1      PHE  39  30.656 -20.492  -7.564
  268    HD2  PHE  39           HD2      PHE  39  29.916 -20.273 -11.790
  269    HE1  PHE  39           HE1      PHE  39  30.135 -18.078  -7.347
  270    HE2  PHE  39           HE2      PHE  39  29.394 -17.858 -11.572
  271    HZ   PHE  39           HZ       PHE  39  29.504 -16.760  -9.351
  272    H    LEU  40           HN       LEU  40  29.817 -23.876 -11.752
  273    HA   LEU  40           HA       LEU  40  27.794 -22.591 -13.266
  274    HB2  LEU  40           HB2      LEU  40  28.332 -24.259 -15.001
  275    HB3  LEU  40           HB1      LEU  40  29.793 -23.553 -14.309
  276    HG   LEU  40           HG       LEU  40  29.312 -25.701 -12.638
  277   HD11  LEU  40          HD11      LEU  40  27.547 -26.440 -14.281
  278   HD12  LEU  40          HD12      LEU  40  28.840 -27.615 -14.039
  279   HD13  LEU  40          HD13      LEU  40  28.822 -26.609 -15.487
  280   HD21  LEU  40          HD21      LEU  40  31.043 -25.414 -15.107
  281   HD22  LEU  40          HD22      LEU  40  31.188 -26.769 -13.987
  282   HD23  LEU  40          HD23      LEU  40  31.507 -25.126 -13.429
  283    H    LEU  41           HN       LEU  41  27.413 -24.718 -10.819
  284    HA   LEU  41           HA       LEU  41  25.188 -26.198 -12.042
  285    HB2  LEU  41           HB2      LEU  41  27.070 -26.715  -9.900
  286    HB3  LEU  41           HB1      LEU  41  25.408 -26.931  -9.349
  287    HG   LEU  41           HG       LEU  41  26.498 -28.146 -11.902
  288   HD11  LEU  41          HD11      LEU  41  27.546 -29.648 -10.589
  289   HD12  LEU  41          HD12      LEU  41  25.957 -30.161 -10.020
  290   HD13  LEU  41          HD13      LEU  41  26.858 -28.933  -9.131
  291   HD21  LEU  41          HD21      LEU  41  23.878 -27.776 -10.907
  292   HD22  LEU  41          HD22      LEU  41  24.257 -29.477 -10.645
  293   HD23  LEU  41          HD23      LEU  41  24.366 -28.789 -12.265
  294    H    GLY  42           HN       GLY  42  25.786 -24.461  -8.975
  295    HA2  GLY  42           HA2      GLY  42  22.929 -23.915  -8.716
  296    HA3  GLY  42           HA1      GLY  42  24.170 -23.584  -7.511
  297    H    THR  43           HN       THR  43  25.305 -22.536 -10.445
  298    HA   THR  43           HA       THR  43  24.158 -19.830 -10.133
  299    HB   THR  43           HB       THR  43  26.987 -20.017 -10.990
  300    HG1  THR  43           HG1      THR  43  27.730 -20.664  -9.118
  301   HG21  THR  43          HG21      THR  43  25.636 -18.255  -8.936
  302   HG22  THR  43          HG22      THR  43  25.605 -17.910 -10.665
  303   HG23  THR  43          HG23      THR  43  27.141 -17.943  -9.801
  304    H    THR  44           HN       THR  44  23.381 -21.871 -11.979
  305    HA   THR  44           HA       THR  44  24.075 -20.502 -14.496
  306    HB   THR  44           HB       THR  44  24.042 -23.494 -14.041
  307    HG1  THR  44           HG1      THR  44  26.004 -22.629 -13.549
  308   HG21  THR  44          HG21      THR  44  22.999 -23.210 -16.139
  309   HG22  THR  44          HG22      THR  44  24.701 -23.443 -16.540
  310   HG23  THR  44          HG23      THR  44  24.006 -21.821 -16.549
  311    H    GLY  45           HN       GLY  45  21.956 -22.964 -13.024
  312    HA2  GLY  45           HA2      GLY  45  19.769 -22.096 -14.795
  313    HA3  GLY  45           HA1      GLY  45  19.814 -23.597 -13.875
  314    H    ASN  46           HN       ASN  46  20.853 -22.021 -11.504
  315    HA   ASN  46           HA       ASN  46  18.449 -21.705 -10.116
  316    HB2  ASN  46           HB2      ASN  46  19.806 -21.338  -8.361
  317    HB3  ASN  46           HB1      ASN  46  21.143 -21.594  -9.482
  318   HD21  ASN  46          HD21      ASN  46  22.049 -19.599 -10.549
  319   HD22  ASN  46          HD22      ASN  46  21.920 -18.108  -9.747
  320    H    GLY  47           HN       GLY  47  20.508 -19.257 -11.674
  321    HA2  GLY  47           HA2      GLY  47  18.855 -17.039 -10.993
  322    HA3  GLY  47           HA1      GLY  47  20.105 -17.056 -12.233
  323    H    LEU  48           HN       LEU  48  19.262 -18.878 -14.028
  324    HA   LEU  48           HA       LEU  48  17.342 -17.520 -15.542
  325    HB2  LEU  48           HB2      LEU  48  19.037 -19.252 -16.340
  326    HB3  LEU  48           HB1      LEU  48  17.900 -20.478 -15.778
  327    HG   LEU  48           HG       LEU  48  16.175 -19.023 -17.187
  328   HD11  LEU  48          HD11      LEU  48  17.064 -17.775 -18.926
  329   HD12  LEU  48          HD12      LEU  48  18.575 -18.685 -18.944
  330   HD13  LEU  48          HD13      LEU  48  18.285 -17.483 -17.687
  331   HD21  LEU  48          HD21      LEU  48  16.359 -21.253 -17.822
  332   HD22  LEU  48          HD22      LEU  48  18.108 -21.157 -18.024
  333   HD23  LEU  48          HD23      LEU  48  17.041 -20.457 -19.240
  334    H    VAL  49           HN       VAL  49  17.006 -20.351 -13.424
  335    HA   VAL  49           HA       VAL  49  14.298 -20.894 -13.938
  336    HB   VAL  49           HB       VAL  49  16.125 -21.422 -11.612
  337   HG11  VAL  49          HG11      VAL  49  13.134 -21.752 -11.752
  338   HG12  VAL  49          HG12      VAL  49  14.118 -21.145 -10.419
  339   HG13  VAL  49          HG13      VAL  49  14.112 -22.867 -10.800
  340   HG21  VAL  49          HG21      VAL  49  14.560 -23.222 -13.490
  341   HG22  VAL  49          HG22      VAL  49  15.763 -23.740 -12.310
  342   HG23  VAL  49          HG23      VAL  49  16.253 -22.779 -13.704
  343    H    LEU  50           HN       LEU  50  15.686 -19.159 -11.139
  344    HA   LEU  50           HA       LEU  50  13.304 -18.224 -10.053
  345    HB2  LEU  50           HB2      LEU  50  16.117 -17.161 -10.024
  346    HB3  LEU  50           HB1      LEU  50  14.811 -16.285  -9.223
  347    HG   LEU  50           HG       LEU  50  15.080 -19.221  -8.700
  348   HD11  LEU  50          HD11      LEU  50  16.557 -18.330  -6.677
  349   HD12  LEU  50          HD12      LEU  50  16.990 -17.081  -7.845
  350   HD13  LEU  50          HD13      LEU  50  17.301 -18.778  -8.211
  351   HD21  LEU  50          HD21      LEU  50  13.303 -17.438  -7.841
  352   HD22  LEU  50          HD22      LEU  50  14.565 -17.086  -6.661
  353   HD23  LEU  50          HD23      LEU  50  13.890 -18.712  -6.772
  354    H    TRP  51           HN       TRP  51  15.079 -17.133 -12.837
  355    HA   TRP  51           HA       TRP  51  13.729 -14.588 -13.036
  356    HB2  TRP  51           HB2      TRP  51  15.945 -14.746 -13.957
  357    HB3  TRP  51           HB1      TRP  51  15.492 -16.133 -14.949
  358    HD1  TRP  51           HD1      TRP  51  15.097 -12.354 -14.701
  359    HE1  TRP  51           HE1      TRP  51  14.173 -11.462 -16.937
  360    HE3  TRP  51           HE3      TRP  51  14.072 -16.766 -17.057
  361    HZ2  TRP  51           HZ2      TRP  51  13.138 -12.484 -19.400
  362    HZ3  TRP  51           HZ3      TRP  51  13.118 -16.779 -19.344
  363    HH2  TRP  51           HH2      TRP  51  12.651 -14.645 -20.518
  364    H    THR  52           HN       THR  52  13.574 -17.691 -14.782
  365    HA   THR  52           HA       THR  52  11.458 -16.918 -16.514
  366    HB   THR  52           HB       THR  52  12.657 -19.545 -15.690
  367    HG1  THR  52           HG1      THR  52  13.292 -19.524 -17.794
  368   HG21  THR  52          HG21      THR  52  11.056 -20.478 -17.515
  369   HG22  THR  52          HG22      THR  52  10.070 -19.062 -17.149
  370   HG23  THR  52          HG23      THR  52  10.423 -20.241 -15.885
  371    H    VAL  53           HN       VAL  53  11.545 -18.627 -13.409
  372    HA   VAL  53           HA       VAL  53   8.826 -19.295 -13.247
  373    HB   VAL  53           HB       VAL  53  10.866 -18.712 -11.095
  374   HG11  VAL  53          HG11      VAL  53   8.784 -18.357 -10.016
  375   HG12  VAL  53          HG12      VAL  53   9.170 -20.044  -9.679
  376   HG13  VAL  53          HG13      VAL  53   7.997 -19.641 -10.933
  377   HG21  VAL  53          HG21      VAL  53  11.185 -20.690 -12.641
  378   HG22  VAL  53          HG22      VAL  53   9.652 -21.324 -12.043
  379   HG23  VAL  53          HG23      VAL  53  11.013 -21.119 -10.940
  380    H    PHE  54           HN       PHE  54  10.562 -16.386 -12.194
  381    HA   PHE  54           HA       PHE  54   8.501 -15.072 -10.864
  382    HB2  PHE  54           HB2      PHE  54  11.091 -14.421 -11.863
  383    HB3  PHE  54           HB1      PHE  54   9.979 -13.147 -12.365
  384    HD1  PHE  54           HD2      PHE  54  10.956 -15.188  -9.381
  385    HD2  PHE  54           HD1      PHE  54   9.316 -11.493 -10.835
  386    HE1  PHE  54           HE2      PHE  54  10.951 -14.281  -7.073
  387    HE2  PHE  54           HE1      PHE  54   9.312 -10.587  -8.527
  388    HZ   PHE  54           HZ       PHE  54  10.130 -11.981  -6.646
  389    H    ARG  55           HN       ARG  55   9.152 -15.333 -14.318
  390    HA   ARG  55           HA       ARG  55   7.028 -13.475 -15.016
  391    HB2  ARG  55           HB2      ARG  55   9.067 -15.079 -16.508
  392    HB3  ARG  55           HB1      ARG  55   7.642 -14.509 -17.376
  393    HG2  ARG  55           HG2      ARG  55   8.298 -12.319 -17.284
  394    HG3  ARG  55           HG1      ARG  55   8.973 -12.481 -15.665
  395    HD2  ARG  55           HD2      ARG  55  10.349 -13.829 -17.968
  396    HD3  ARG  55           HD1      ARG  55  10.576 -12.102 -17.707
  397    HE   ARG  55           HE       ARG  55  11.716 -14.200 -16.142
  398   HH11  ARG  55          HH21      ARG  55  10.351 -11.024 -16.015
  399   HH12  ARG  55          HH22      ARG  55  11.208 -10.562 -14.583
  400   HH21  ARG  55          HH11      ARG  55  12.837 -13.605 -14.257
  401   HH22  ARG  55          HH12      ARG  55  12.616 -12.023 -13.587
  402    H    LYS  56           HN       LYS  56   7.151 -16.668 -14.060
  403    HA   LYS  56           HA       LYS  56   4.700 -17.345 -15.572
  404    HB2  LYS  56           HB2      LYS  56   5.481 -19.447 -15.840
  405    HB3  LYS  56           HB1      LYS  56   7.047 -18.769 -15.401
  406    HG2  LYS  56           HG2      LYS  56   6.499 -19.284 -12.981
  407    HG3  LYS  56           HG1      LYS  56   5.060 -20.135 -13.549
  408    HD2  LYS  56           HD2      LYS  56   7.496 -20.956 -14.964
  409    HD3  LYS  56           HD1      LYS  56   7.562 -21.264 -13.231
  410    HE2  LYS  56           HE2      LYS  56   6.565 -23.163 -14.506
  411    HE3  LYS  56           HE1      LYS  56   5.453 -22.480 -13.321
  412    HZ1  LYS  56           HZ1      LYS  56   4.112 -21.661 -14.913
  413    HZ2  LYS  56           HZ2      LYS  56   4.811 -22.886 -15.863
  414    HZ3  LYS  56           HZ3      LYS  56   5.386 -21.290 -15.969
  415    H    LYS  57           HN       LYS  57   6.035 -16.641 -12.519
  416    HA   LYS  57           HA       LYS  57   3.661 -17.705 -11.121
  417    HB2  LYS  57           HB2      LYS  57   6.230 -18.157 -10.483
  418    HB3  LYS  57           HB1      LYS  57   5.994 -16.647  -9.605
  419    HG2  LYS  57           HG2      LYS  57   4.245 -19.117  -9.357
  420    HG3  LYS  57           HG1      LYS  57   5.457 -18.599  -8.186
  421    HD2  LYS  57           HD2      LYS  57   4.103 -16.325  -8.268
  422    HD3  LYS  57           HD1      LYS  57   2.798 -17.375  -8.824
  423    HE2  LYS  57           HE2      LYS  57   4.383 -17.683  -6.257
  424    HE3  LYS  57           HE1      LYS  57   2.694 -17.192  -6.394
  425    HZ1  LYS  57           HZ1      LYS  57   2.440 -19.406  -6.017
  426    HZ2  LYS  57           HZ2      LYS  57   3.904 -19.831  -6.766
  427    HZ3  LYS  57           HZ3      LYS  57   2.546 -19.440  -7.709
  428    H    GLY  58           HN       GLY  58   5.598 -14.839 -11.741
  429    HA2  GLY  58           HA2      GLY  58   4.112 -13.129  -9.965
  430    HA3  GLY  58           HA1      GLY  58   5.293 -12.618 -11.168
  431    H    HIS  59           HN       HIS  59   3.820 -14.189 -13.260
  432    HA   HIS  59           HA       HIS  59   2.287 -12.108 -14.347
  433    HB2  HIS  59           HB2      HIS  59   3.255 -14.481 -15.285
  434    HB3  HIS  59           HB1      HIS  59   1.528 -14.828 -15.186
  435    HD2  HIS  59           HD2      HIS  59   3.888 -12.199 -16.994
  436    HE1  HIS  59           HE1      HIS  59   0.132 -12.215 -18.922
  437    HE2  HIS  59           HE2      HIS  59   2.493 -11.281 -19.001
  438    H    HIS  60           HN       HIS  60   1.507 -14.438 -11.952
  439    HA   HIS  60           HA       HIS  60  -1.351 -14.382 -12.370
  440    HB2  HIS  60           HB2      HIS  60  -1.496 -15.850 -10.548
  441    HB3  HIS  60           HB1      HIS  60   0.064 -16.253 -11.265
  442    HD2  HIS  60           HD2      HIS  60  -0.552 -16.514  -7.923
  443    HE1  HIS  60           HE1      HIS  60   2.266 -13.379  -7.706
  444    HE2  HIS  60           HE2      HIS  60   1.078 -15.186  -6.375
  445    H    HIS  61           HN       HIS  61  -0.121 -11.789 -12.110
  446    HA   HIS  61           HA       HIS  61  -0.337 -10.632  -9.578
  447    HB2  HIS  61           HB2      HIS  61  -0.847  -9.453 -12.318
  448    HB3  HIS  61           HB1      HIS  61  -0.758  -8.498 -10.837
  449    HD2  HIS  61           HD2      HIS  61   1.623  -9.320 -13.530
  450    HE1  HIS  61           HE1      HIS  61   4.023  -9.435 -10.059
  451    HE2  HIS  61           HE2      HIS  61   4.061  -9.347 -12.597
  452    H    HIS  62           HN       HIS  62  -2.545  -8.983 -11.507
  453    HA   HIS  62           HA       HIS  62  -4.760  -9.850  -9.769
  454    HB2  HIS  62           HB2      HIS  62  -4.001  -7.384  -9.989
  455    HB3  HIS  62           HB1      HIS  62  -4.807  -7.433 -11.558
  456    HD2  HIS  62           HD2      HIS  62  -5.770  -6.600  -8.031
  457    HE1  HIS  62           HE1      HIS  62  -9.320  -8.081  -9.771
  458    HE2  HIS  62           HE2      HIS  62  -8.358  -6.834  -7.779
  459    H    HIS  63           HN       HIS  63  -4.566  -8.544 -13.082
  460    HA   HIS  63           HA       HIS  63  -6.750 -10.311 -13.885
  461    HB2  HIS  63           HB2      HIS  63  -6.540  -9.017 -16.059
  462    HB3  HIS  63           HB1      HIS  63  -6.981  -8.059 -14.645
  463    HD2  HIS  63           HD2      HIS  63  -5.420  -5.799 -14.508
  464    HE1  HIS  63           HE1      HIS  63  -1.948  -7.328 -16.360
  465    HE2  HIS  63           HE2      HIS  63  -2.988  -5.269 -15.298
  466    H    HIS  64           HN       HIS  64  -4.917 -12.038 -13.382
  467    HA   HIS  64           HA       HIS  64  -2.771 -12.607 -14.946
  468    HB2  HIS  64           HB2      HIS  64  -3.596 -14.068 -13.126
  469    HB3  HIS  64           HB1      HIS  64  -4.906 -14.610 -14.177
  470    HD2  HIS  64           HD2      HIS  64  -1.739 -14.261 -16.255
  471    HE1  HIS  64           HE1      HIS  64  -1.853 -18.300 -15.031
  472    HE2  HIS  64           HE2      HIS  64  -0.726 -16.644 -16.592
  Start of MODEL   22
    1    H1   MET   1           HT1      MET   1  41.282 -12.807  19.856
    2    H2   MET   1           HT2      MET   1  42.629 -11.899  19.359
    3    H3   MET   1           HT3      MET   1  41.449 -11.197  20.359
    4    HA   MET   1           HA       MET   1  42.802 -13.605  21.323
    5    HB2  MET   1           HB2      MET   1  44.471 -11.818  22.348
    6    HB3  MET   1           HB1      MET   1  44.780 -12.527  20.764
    7    HG2  MET   1           HG2      MET   1  44.105 -10.607  19.622
    8    HG3  MET   1           HG1      MET   1  43.112 -10.038  20.964
    9    HE1  MET   1           HE1      MET   1  45.022  -7.160  21.050
   10    HE2  MET   1           HE2      MET   1  44.053  -8.104  19.921
   11    HE3  MET   1           HE3      MET   1  45.767  -7.848  19.601
   12    H    GLU   2           HN       GLU   2  41.361 -10.413  21.710
   13    HA   GLU   2           HA       GLU   2  40.358 -11.247  24.350
   14    HB2  GLU   2           HB2      GLU   2  41.902  -8.748  23.703
   15    HB3  GLU   2           HB1      GLU   2  40.740  -8.773  25.030
   16    HG2  GLU   2           HG2      GLU   2  41.944 -10.400  26.223
   17    HG3  GLU   2           HG1      GLU   2  42.829 -10.927  24.793
   18    H    GLU   3           HN       GLU   3  38.631 -11.585  22.516
   19    HA   GLU   3           HA       GLU   3  36.552 -11.002  21.734
   20    HB2  GLU   3           HB2      GLU   3  36.753  -9.856  24.241
   21    HB3  GLU   3           HB1      GLU   3  36.286  -8.496  23.219
   22    HG2  GLU   3           HG2      GLU   3  34.244  -9.519  23.923
   23    HG3  GLU   3           HG1      GLU   3  34.482 -10.012  22.247
   24    H    GLY   4           HN       GLY   4  35.328  -8.703  21.074
   25    HA2  GLY   4           HA2      GLY   4  37.230  -7.007  19.624
   26    HA3  GLY   4           HA1      GLY   4  36.049  -7.900  18.670
   27    H    GLY   5           HN       GLY   5  34.432  -6.618  18.063
   28    HA2  GLY   5           HA2      GLY   5  32.383  -5.570  19.250
   29    HA3  GLY   5           HA1      GLY   5  33.585  -4.425  19.839
   30    H    ASP   6           HN       ASP   6  35.161  -3.935  17.715
   31    HA   ASP   6           HA       ASP   6  33.893  -3.578  15.224
   32    HB2  ASP   6           HB2      ASP   6  33.757  -0.975  15.511
   33    HB3  ASP   6           HB1      ASP   6  32.411  -1.986  16.032
   34    H    PHE   7           HN       PHE   7  36.212  -4.470  15.243
   35    HA   PHE   7           HA       PHE   7  38.475  -2.964  15.758
   36    HB2  PHE   7           HB2      PHE   7  37.810  -5.153  13.853
   37    HB3  PHE   7           HB1      PHE   7  39.308  -4.265  13.576
   38    HD1  PHE   7           HD2      PHE   7  40.873  -3.926  15.623
   39    HD2  PHE   7           HD1      PHE   7  37.736  -6.857  15.470
   40    HE1  PHE   7           HE2      PHE   7  41.967  -5.194  17.454
   41    HE2  PHE   7           HE1      PHE   7  38.830  -8.123  17.300
   42    HZ   PHE   7           HZ       PHE   7  40.945  -7.291  18.291
   43    H    ASP   8           HN       ASP   8  39.970  -2.049  14.019
   44    HA   ASP   8           HA       ASP   8  38.526   0.065  12.647
   45    HB2  ASP   8           HB2      ASP   8  41.495  -0.503  12.797
   46    HB3  ASP   8           HB1      ASP   8  40.753   0.970  12.174
   47    H    ASN   9           HN       ASN   9  38.901  -2.995  11.843
   48    HA   ASN   9           HA       ASN   9  39.239  -4.202   9.895
   49    HB2  ASN   9           HB2      ASN   9  37.042  -3.253   9.503
   50    HB3  ASN   9           HB1      ASN   9  37.758  -1.757   8.905
   51   HD21  ASN   9          HD21      ASN   9  36.205  -2.683   7.008
   52   HD22  ASN   9          HD22      ASN   9  37.022  -3.596   5.833
   53    H    TYR  10           HN       TYR  10  39.279  -1.243   8.058
   54    HA   TYR  10           HA       TYR  10  41.400  -1.772   6.444
   55    HB2  TYR  10           HB2      TYR  10  41.055   1.004   7.550
   56    HB3  TYR  10           HB1      TYR  10  41.483   0.513   5.911
   57    HD1  TYR  10           HD2      TYR  10  38.730   0.750   8.373
   58    HD2  TYR  10           HD1      TYR  10  39.800  -0.152   4.313
   59    HE1  TYR  10           HE2      TYR  10  36.334   0.784   7.734
   60    HE2  TYR  10           HE1      TYR  10  37.404  -0.117   3.674
   61    HH   TYR  10           HH       TYR  10  34.958  -0.411   5.701
   62    H    TYR  11           HN       TYR  11  43.629  -1.154   6.413
   63    HA   TYR  11           HA       TYR  11  45.728  -1.362   7.363
   64    HB2  TYR  11           HB2      TYR  11  44.451   0.851   8.982
   65    HB3  TYR  11           HB1      TYR  11  46.168   0.454   9.061
   66    HD1  TYR  11           HD1      TYR  11  47.571   0.587   6.968
   67    HD2  TYR  11           HD2      TYR  11  43.550   2.086   7.150
   68    HE1  TYR  11           HE1      TYR  11  47.978   1.927   4.921
   69    HE2  TYR  11           HE2      TYR  11  43.956   3.425   5.104
   70    HH   TYR  11           HH       TYR  11  45.454   4.069   3.596
   71    H    GLY  12           HN       GLY  12  43.922  -3.296   8.342
   72    HA2  GLY  12           HA2      GLY  12  45.279  -4.419  10.460
   73    HA3  GLY  12           HA1      GLY  12  44.006  -3.454  11.201
   74    H    ALA  13           HN       ALA  13  43.568  -4.901   8.072
   75    HA   ALA  13           HA       ALA  13  41.824  -6.979   9.251
   76    HB1  ALA  13           HB1      ALA  13  41.171  -4.831   7.350
   77    HB2  ALA  13           HB2      ALA  13  40.109  -5.780   8.390
   78    HB3  ALA  13           HB3      ALA  13  40.642  -6.434   6.841
   79    H    ASP  14           HN       ASP  14  44.062  -6.007   6.760
   80    HA   ASP  14           HA       ASP  14  43.891  -8.632   5.457
   81    HB2  ASP  14           HB2      ASP  14  45.478  -6.158   4.725
   82    HB3  ASP  14           HB1      ASP  14  45.393  -7.639   3.772
   83    H    ASN  15           HN       ASN  15  45.937  -6.728   7.540
   84    HA   ASN  15           HA       ASN  15  48.410  -7.918   7.260
   85    HB2  ASN  15           HB2      ASN  15  47.048  -6.370   9.267
   86    HB3  ASN  15           HB1      ASN  15  48.000  -7.638  10.039
   87   HD21  ASN  15          HD21      ASN  15  48.436  -5.363   7.256
   88   HD22  ASN  15          HD22      ASN  15  50.024  -4.937   7.678
   89    H    GLN  16           HN       GLN  16  45.490  -9.246   8.613
   90    HA   GLN  16           HA       GLN  16  46.921 -11.569   9.692
   91    HB2  GLN  16           HB2      GLN  16  44.990 -12.069  10.895
   92    HB3  GLN  16           HB1      GLN  16  44.945 -10.306  10.847
   93    HG2  GLN  16           HG2      GLN  16  43.584 -10.636   8.649
   94    HG3  GLN  16           HG1      GLN  16  43.326 -12.275   9.245
   95   HE21  GLN  16          HE21      GLN  16  41.373 -12.421  10.344
   96   HE22  GLN  16          HE22      GLN  16  40.710 -11.203  11.322
   97    H    SER  17           HN       SER  17  45.264 -10.564   6.887
   98    HA   SER  17           HA       SER  17  44.331 -13.175   6.078
   99    HB2  SER  17           HB2      SER  17  43.616 -12.108   4.070
  100    HB3  SER  17           HB1      SER  17  43.312 -10.957   5.369
  101    HG   SER  17           HG       SER  17  44.715 -10.551   3.217
  102    H    GLU  18           HN       GLU  18  47.093 -11.083   5.355
  103    HA   GLU  18           HA       GLU  18  48.259 -12.341   3.221
  104    HB2  GLU  18           HB2      GLU  18  49.661 -11.298   5.694
  105    HB3  GLU  18           HB1      GLU  18  50.438 -11.622   4.144
  106    HG2  GLU  18           HG2      GLU  18  48.954  -9.981   3.054
  107    HG3  GLU  18           HG1      GLU  18  48.178  -9.653   4.601
  108    H    CYS  19           HN       CYS  19  48.304 -13.373   6.604
  109    HA   CYS  19           HA       CYS  19  50.148 -15.473   6.390
  110    HB2  CYS  19           HB2      CYS  19  49.116 -14.516   8.509
  111    HB3  CYS  19           HB1      CYS  19  47.702 -15.512   8.161
  112    HG   CYS  19           HG       CYS  19  50.472 -16.921   8.347
  113    H    GLU  20           HN       GLU  20  46.778 -15.255   5.478
  114    HA   GLU  20           HA       GLU  20  46.601 -18.127   4.963
  115    HB2  GLU  20           HB2      GLU  20  44.640 -15.843   4.816
  116    HB3  GLU  20           HB1      GLU  20  44.264 -17.431   4.148
  117    HG2  GLU  20           HG2      GLU  20  43.477 -17.130   6.513
  118    HG3  GLU  20           HG1      GLU  20  44.587 -18.483   6.306
  119    H    TYR  21           HN       TYR  21  47.135 -15.134   3.284
  120    HA   TYR  21           HA       TYR  21  46.400 -15.808   0.678
  121    HB2  TYR  21           HB2      TYR  21  47.164 -13.549   1.465
  122    HB3  TYR  21           HB1      TYR  21  48.816 -14.165   1.461
  123    HD1  TYR  21           HD1      TYR  21  49.783 -15.074  -0.706
  124    HD2  TYR  21           HD2      TYR  21  46.108 -12.856  -0.546
  125    HE1  TYR  21           HE1      TYR  21  49.943 -14.634  -3.141
  126    HE2  TYR  21           HE2      TYR  21  46.268 -12.416  -2.982
  127    HH   TYR  21           HH       TYR  21  47.828 -12.386  -4.745
  128    H    THR  22           HN       THR  22  49.482 -16.353   2.368
  129    HA   THR  22           HA       THR  22  50.887 -17.510   0.230
  130    HB   THR  22           HB       THR  22  52.362 -18.448   1.936
  131    HG1  THR  22           HG1      THR  22  50.753 -17.482   3.984
  132   HG21  THR  22          HG21      THR  22  51.430 -15.811   3.046
  133   HG22  THR  22          HG22      THR  22  52.155 -15.898   1.440
  134   HG23  THR  22          HG23      THR  22  53.078 -16.412   2.853
  135    H    ASP  23           HN       ASP  23  48.389 -18.771   2.284
  136    HA   ASP  23           HA       ASP  23  48.915 -21.539   1.528
  137    HB2  ASP  23           HB2      ASP  23  47.809 -20.399   3.764
  138    HB3  ASP  23           HB1      ASP  23  46.379 -20.927   2.878
  139    H    TRP  24           HN       TRP  24  46.321 -19.130   1.112
  140    HA   TRP  24           HA       TRP  24  44.472 -20.484  -0.344
  141    HB2  TRP  24           HB2      TRP  24  43.836 -18.299  -0.109
  142    HB3  TRP  24           HB1      TRP  24  45.460 -17.682  -0.412
  143    HD1  TRP  24           HD1      TRP  24  42.371 -19.012  -2.249
  144    HE1  TRP  24           HE1      TRP  24  42.472 -18.225  -4.702
  145    HE3  TRP  24           HE3      TRP  24  47.006 -16.868  -2.299
  146    HZ2  TRP  24           HZ2      TRP  24  44.279 -16.866  -6.454
  147    HZ3  TRP  24           HZ3      TRP  24  47.891 -15.836  -4.371
  148    HH2  TRP  24           HH2      TRP  24  46.535 -15.832  -6.447
  149    H    LYS  25           HN       LYS  25  47.262 -18.804  -1.815
  150    HA   LYS  25           HA       LYS  25  46.946 -19.563  -4.436
  151    HB2  LYS  25           HB2      LYS  25  48.754 -18.074  -3.475
  152    HB3  LYS  25           HB1      LYS  25  49.624 -19.543  -3.037
  153    HG2  LYS  25           HG2      LYS  25  49.568 -20.264  -5.412
  154    HG3  LYS  25           HG1      LYS  25  48.759 -18.754  -5.834
  155    HD2  LYS  25           HD2      LYS  25  50.880 -17.779  -4.453
  156    HD3  LYS  25           HD1      LYS  25  51.598 -19.243  -5.127
  157    HE2  LYS  25           HE2      LYS  25  51.950 -17.482  -6.730
  158    HE3  LYS  25           HE1      LYS  25  50.696 -18.535  -7.383
  159    HZ1  LYS  25           HZ1      LYS  25  50.496 -15.809  -6.376
  160    HZ2  LYS  25           HZ2      LYS  25  49.196 -16.844  -6.026
  161    HZ3  LYS  25           HZ3      LYS  25  49.653 -16.564  -7.638
  162    H    SER  26           HN       SER  26  47.949 -21.522  -1.732
  163    HA   SER  26           HA       SER  26  48.771 -23.734  -3.455
  164    HB2  SER  26           HB2      SER  26  48.500 -24.116  -0.526
  165    HB3  SER  26           HB1      SER  26  49.788 -24.622  -1.616
  166    HG   SER  26           HG       SER  26  49.268 -21.958  -0.770
  167    H    SER  27           HN       SER  27  46.309 -23.075  -0.964
  168    HA   SER  27           HA       SER  27  44.927 -25.555  -1.472
  169    HB2  SER  27           HB2      SER  27  43.568 -23.328  -0.050
  170    HB3  SER  27           HB1      SER  27  43.654 -25.039   0.359
  171    HG   SER  27           HG       SER  27  45.006 -23.196   1.485
  172    H    GLY  28           HN       GLY  28  45.217 -22.902  -3.313
  173    HA2  GLY  28           HA2      GLY  28  42.425 -22.557  -4.061
  174    HA3  GLY  28           HA1      GLY  28  43.809 -21.720  -4.761
  175    H    ALA  29           HN       ALA  29  44.852 -24.750  -4.766
  176    HA   ALA  29           HA       ALA  29  44.019 -25.194  -7.541
  177    HB1  ALA  29           HB1      ALA  29  45.966 -26.969  -6.130
  178    HB2  ALA  29           HB2      ALA  29  46.466 -25.326  -6.534
  179    HB3  ALA  29           HB3      ALA  29  45.950 -26.430  -7.809
  180    H    LEU  30           HN       LEU  30  42.003 -25.607  -5.665
  181    HA   LEU  30           HA       LEU  30  41.186 -28.257  -6.305
  182    HB2  LEU  30           HB2      LEU  30  41.128 -29.206  -4.051
  183    HB3  LEU  30           HB1      LEU  30  42.785 -28.815  -4.511
  184    HG   LEU  30           HG       LEU  30  41.868 -26.460  -3.359
  185   HD11  LEU  30          HD11      LEU  30  40.897 -28.839  -1.744
  186   HD12  LEU  30          HD12      LEU  30  39.865 -27.644  -2.529
  187   HD13  LEU  30          HD13      LEU  30  40.912 -27.164  -1.193
  188   HD21  LEU  30          HD21      LEU  30  43.305 -27.252  -1.406
  189   HD22  LEU  30          HD22      LEU  30  44.081 -27.308  -2.988
  190   HD23  LEU  30          HD23      LEU  30  43.462 -28.788  -2.258
  191    H    ILE  31           HN       ILE  31  40.767 -25.303  -4.468
  192    HA   ILE  31           HA       ILE  31  38.073 -25.824  -3.678
  193    HB   ILE  31           HB       ILE  31  39.822 -23.385  -3.696
  194   HG12  ILE  31          HG12      ILE  31  38.217 -24.697  -1.491
  195   HG13  ILE  31          HG11      ILE  31  39.862 -25.187  -1.900
  196   HG21  ILE  31          HG21      ILE  31  37.765 -22.294  -2.545
  197   HG22  ILE  31          HG22      ILE  31  36.826 -23.526  -3.388
  198   HG23  ILE  31          HG23      ILE  31  37.785 -22.365  -4.307
  199   HD11  ILE  31          HD11      ILE  31  39.104 -22.334  -1.227
  200   HD12  ILE  31          HD12      ILE  31  40.729 -23.005  -1.380
  201   HD13  ILE  31          HD13      ILE  31  39.699 -23.484  -0.030
  202    HA   PRO  32           HA       PRO  32  37.212 -22.987  -7.596
  203    HB2  PRO  32           HB2      PRO  32  39.063 -24.349  -9.475
  204    HB3  PRO  32           HB1      PRO  32  38.679 -22.625  -9.319
  205    HG2  PRO  32           HG2      PRO  32  41.016 -23.618  -8.511
  206    HG3  PRO  32           HG1      PRO  32  40.211 -22.295  -7.649
  207    HD2  PRO  32           HD2      PRO  32  40.397 -25.191  -6.908
  208    HD3  PRO  32           HD1      PRO  32  40.425 -23.757  -5.864
  209    H    ALA  33           HN       ALA  33  38.110 -26.381  -7.595
  210    HA   ALA  33           HA       ALA  33  36.502 -27.347  -9.665
  211    HB1  ALA  33           HB1      ALA  33  37.577 -29.187  -8.962
  212    HB2  ALA  33           HB2      ALA  33  36.405 -29.288  -7.648
  213    HB3  ALA  33           HB3      ALA  33  37.936 -28.448  -7.401
  214    H    ILE  34           HN       ILE  34  35.695 -27.589  -6.195
  215    HA   ILE  34           HA       ILE  34  33.023 -28.246  -6.477
  216    HB   ILE  34           HB       ILE  34  34.586 -26.835  -4.345
  217   HG12  ILE  34          HG12      ILE  34  34.365 -29.421  -4.890
  218   HG13  ILE  34          HG11      ILE  34  34.389 -28.857  -3.220
  219   HG21  ILE  34          HG21      ILE  34  31.583 -27.064  -4.538
  220   HG22  ILE  34          HG22      ILE  34  32.553 -25.667  -4.074
  221   HG23  ILE  34          HG23      ILE  34  32.394 -27.031  -2.972
  222   HD11  ILE  34          HD11      ILE  34  32.527 -30.526  -3.902
  223   HD12  ILE  34          HD12      ILE  34  31.786 -29.152  -4.721
  224   HD13  ILE  34          HD13      ILE  34  32.051 -29.101  -2.979
  225    H    TYR  35           HN       TYR  35  34.528 -25.043  -6.440
  226    HA   TYR  35           HA       TYR  35  32.177 -23.498  -6.429
  227    HB2  TYR  35           HB2      TYR  35  35.000 -23.061  -6.809
  228    HB3  TYR  35           HB1      TYR  35  34.081 -22.131  -7.993
  229    HD1  TYR  35           HD2      TYR  35  34.242 -22.931  -4.343
  230    HD2  TYR  35           HD1      TYR  35  32.987 -20.144  -7.362
  231    HE1  TYR  35           HE2      TYR  35  33.612 -21.304  -2.580
  232    HE2  TYR  35           HE1      TYR  35  32.358 -18.518  -5.599
  233    HH   TYR  35           HH       TYR  35  32.654 -19.345  -2.146
  234    H    MET  36           HN       MET  36  34.264 -24.284  -9.222
  235    HA   MET  36           HA       MET  36  32.510 -23.351 -11.199
  236    HB2  MET  36           HB2      MET  36  34.862 -25.162 -11.119
  237    HB3  MET  36           HB1      MET  36  33.817 -25.286 -12.535
  238    HG2  MET  36           HG2      MET  36  35.723 -23.587 -12.695
  239    HG3  MET  36           HG1      MET  36  34.112 -22.982 -13.077
  240    HE1  MET  36           HE1      MET  36  34.455 -20.488 -12.663
  241    HE2  MET  36           HE2      MET  36  33.813 -20.000 -11.098
  242    HE3  MET  36           HE3      MET  36  32.963 -21.213 -12.051
  243    H    LEU  37           HN       LEU  37  33.054 -26.714 -10.125
  244    HA   LEU  37           HA       LEU  37  31.171 -28.022 -11.635
  245    HB2  LEU  37           HB2      LEU  37  32.782 -29.014  -9.929
  246    HB3  LEU  37           HB1      LEU  37  31.580 -28.611  -8.702
  247    HG   LEU  37           HG       LEU  37  29.977 -29.842 -10.484
  248   HD11  LEU  37          HD11      LEU  37  31.905 -30.295 -12.003
  249   HD12  LEU  37          HD12      LEU  37  31.123 -31.774 -11.444
  250   HD13  LEU  37          HD13      LEU  37  32.648 -31.258 -10.726
  251   HD21  LEU  37          HD21      LEU  37  31.666 -30.917  -8.234
  252   HD22  LEU  37          HD22      LEU  37  30.578 -31.991  -9.113
  253   HD23  LEU  37          HD23      LEU  37  29.933 -30.590  -8.258
  254    H    VAL  38           HN       VAL  38  30.665 -25.990  -8.819
  255    HA   VAL  38           HA       VAL  38  27.801 -26.604  -8.776
  256    HB   VAL  38           HB       VAL  38  29.602 -24.964  -6.993
  257   HG11  VAL  38          HG11      VAL  38  26.595 -25.121  -7.141
  258   HG12  VAL  38          HG12      VAL  38  27.617 -23.694  -6.965
  259   HG13  VAL  38          HG13      VAL  38  27.408 -24.802  -5.609
  260   HG21  VAL  38          HG21      VAL  38  27.867 -27.413  -6.527
  261   HG22  VAL  38          HG22      VAL  38  28.892 -26.633  -5.322
  262   HG23  VAL  38          HG23      VAL  38  29.620 -27.426  -6.718
  263    H    PHE  39           HN       PHE  39  29.924 -24.420 -10.243
  264    HA   PHE  39           HA       PHE  39  28.102 -22.169 -10.332
  265    HB2  PHE  39           HB2      PHE  39  30.689 -22.098 -10.405
  266    HB3  PHE  39           HB1      PHE  39  30.506 -22.526 -12.106
  267    HD1  PHE  39           HD2      PHE  39  29.021 -21.062 -13.579
  268    HD2  PHE  39           HD1      PHE  39  30.330 -19.878  -9.663
  269    HE1  PHE  39           HE2      PHE  39  28.499 -18.698 -14.119
  270    HE2  PHE  39           HE1      PHE  39  29.808 -17.515 -10.203
  271    HZ   PHE  39           HZ       PHE  39  28.892 -16.924 -12.431
  272    H    LEU  40           HN       LEU  40  29.446 -24.440 -12.740
  273    HA   LEU  40           HA       LEU  40  27.642 -23.574 -14.796
  274    HB2  LEU  40           HB2      LEU  40  28.511 -25.670 -15.965
  275    HB3  LEU  40           HB1      LEU  40  29.715 -24.453 -15.546
  276    HG   LEU  40           HG       LEU  40  29.304 -26.310 -13.348
  277   HD11  LEU  40          HD11      LEU  40  30.227 -27.463 -15.997
  278   HD12  LEU  40          HD12      LEU  40  28.726 -27.875 -15.171
  279   HD13  LEU  40          HD13      LEU  40  30.277 -28.292 -14.441
  280   HD21  LEU  40          HD21      LEU  40  31.244 -24.732 -13.794
  281   HD22  LEU  40          HD22      LEU  40  31.744 -25.829 -15.082
  282   HD23  LEU  40          HD23      LEU  40  31.713 -26.389 -13.409
  283    H    LEU  41           HN       LEU  41  27.081 -25.280 -12.051
  284    HA   LEU  41           HA       LEU  41  24.828 -26.757 -13.279
  285    HB2  LEU  41           HB2      LEU  41  26.499 -27.608 -10.902
  286    HB3  LEU  41           HB1      LEU  41  25.086 -28.463 -11.516
  287    HG   LEU  41           HG       LEU  41  27.619 -27.922 -13.100
  288   HD11  LEU  41          HD11      LEU  41  26.963 -30.703 -12.648
  289   HD12  LEU  41          HD12      LEU  41  27.121 -29.854 -11.109
  290   HD13  LEU  41          HD13      LEU  41  28.451 -29.839 -12.266
  291   HD21  LEU  41          HD21      LEU  41  26.007 -28.155 -14.752
  292   HD22  LEU  41          HD22      LEU  41  24.956 -29.141 -13.738
  293   HD23  LEU  41          HD23      LEU  41  26.392 -29.851 -14.473
  294    H    GLY  42           HN       GLY  42  25.743 -24.271 -11.293
  295    HA2  GLY  42           HA2      GLY  42  23.166 -24.361  -9.834
  296    HA3  GLY  42           HA1      GLY  42  24.653 -23.824  -9.059
  297    H    THR  43           HN       THR  43  24.682 -22.906 -12.271
  298    HA   THR  43           HA       THR  43  23.232 -20.398 -11.863
  299    HB   THR  43           HB       THR  43  26.036 -20.184 -12.885
  300    HG1  THR  43           HG1      THR  43  26.842 -20.151 -10.880
  301   HG21  THR  43          HG21      THR  43  24.300 -18.321 -12.913
  302   HG22  THR  43          HG22      THR  43  25.823 -17.931 -12.115
  303   HG23  THR  43          HG23      THR  43  24.398 -18.325 -11.153
  304    H    THR  44           HN       THR  44  23.543 -22.964 -13.664
  305    HA   THR  44           HA       THR  44  23.298 -21.510 -16.232
  306    HB   THR  44           HB       THR  44  24.556 -24.180 -15.617
  307    HG1  THR  44           HG1      THR  44  25.642 -22.412 -17.416
  308   HG21  THR  44          HG21      THR  44  23.277 -24.786 -17.471
  309   HG22  THR  44          HG22      THR  44  24.749 -24.187 -18.236
  310   HG23  THR  44          HG23      THR  44  23.317 -23.160 -18.154
  311    H    GLY  45           HN       GLY  45  22.147 -24.117 -14.173
  312    HA2  GLY  45           HA2      GLY  45  19.652 -24.193 -15.760
  313    HA3  GLY  45           HA1      GLY  45  20.421 -25.678 -15.208
  314    H    ASN  46           HN       ASN  46  20.553 -22.862 -13.198
  315    HA   ASN  46           HA       ASN  46  18.341 -23.863 -11.527
  316    HB2  ASN  46           HB2      ASN  46  21.167 -23.272 -10.639
  317    HB3  ASN  46           HB1      ASN  46  19.808 -23.362  -9.518
  318   HD21  ASN  46          HD21      ASN  46  21.607 -25.293 -11.947
  319   HD22  ASN  46          HD22      ASN  46  21.179 -26.798 -11.289
  320    H    GLY  47           HN       GLY  47  20.663 -21.241 -12.122
  321    HA2  GLY  47           HA2      GLY  47  19.155 -19.279 -10.667
  322    HA3  GLY  47           HA1      GLY  47  20.516 -18.965 -11.738
  323    H    LEU  48           HN       LEU  48  19.528 -20.128 -14.093
  324    HA   LEU  48           HA       LEU  48  18.041 -18.024 -15.196
  325    HB2  LEU  48           HB2      LEU  48  19.444 -19.640 -16.492
  326    HB3  LEU  48           HB1      LEU  48  18.212 -20.869 -16.220
  327    HG   LEU  48           HG       LEU  48  16.536 -19.404 -17.344
  328   HD11  LEU  48          HD11      LEU  48  17.197 -17.197 -17.224
  329   HD12  LEU  48          HD12      LEU  48  17.824 -17.586 -18.825
  330   HD13  LEU  48          HD13      LEU  48  18.906 -17.584 -17.434
  331   HD21  LEU  48          HD21      LEU  48  17.501 -19.657 -19.646
  332   HD22  LEU  48          HD22      LEU  48  17.656 -21.112 -18.662
  333   HD23  LEU  48          HD23      LEU  48  19.050 -20.061 -18.907
  334    H    VAL  49           HN       VAL  49  16.987 -21.302 -14.265
  335    HA   VAL  49           HA       VAL  49  14.274 -21.003 -14.907
  336    HB   VAL  49           HB       VAL  49  15.736 -22.740 -12.928
  337   HG11  VAL  49          HG11      VAL  49  13.680 -22.609 -11.828
  338   HG12  VAL  49          HG12      VAL  49  13.404 -23.956 -12.932
  339   HG13  VAL  49          HG13      VAL  49  12.783 -22.353 -13.325
  340   HG21  VAL  49          HG21      VAL  49  15.599 -22.944 -15.587
  341   HG22  VAL  49          HG22      VAL  49  14.053 -23.703 -15.205
  342   HG23  VAL  49          HG23      VAL  49  15.550 -24.374 -14.555
  343    H    LEU  50           HN       LEU  50  15.582 -21.026 -11.587
  344    HA   LEU  50           HA       LEU  50  13.426 -20.038 -10.234
  345    HB2  LEU  50           HB2      LEU  50  16.377 -19.650  -9.815
  346    HB3  LEU  50           HB1      LEU  50  15.211 -18.891  -8.732
  347    HG   LEU  50           HG       LEU  50  14.870 -21.794  -9.373
  348   HD11  LEU  50          HD11      LEU  50  17.092 -22.034  -8.762
  349   HD12  LEU  50          HD12      LEU  50  16.338 -22.049  -7.169
  350   HD13  LEU  50          HD13      LEU  50  17.088 -20.573  -7.775
  351   HD21  LEU  50          HD21      LEU  50  13.409 -20.139  -7.888
  352   HD22  LEU  50          HD22      LEU  50  14.626 -20.522  -6.671
  353   HD23  LEU  50          HD23      LEU  50  13.662 -21.812  -7.390
  354    H    TRP  51           HN       TRP  51  15.613 -18.280 -12.317
  355    HA   TRP  51           HA       TRP  51  14.668 -15.670 -11.509
  356    HB2  TRP  51           HB2      TRP  51  16.929 -15.836 -12.323
  357    HB3  TRP  51           HB1      TRP  51  16.388 -16.598 -13.818
  358    HD1  TRP  51           HD1      TRP  51  16.517 -13.238 -12.031
  359    HE1  TRP  51           HE1      TRP  51  15.976 -11.370 -13.723
  360    HE3  TRP  51           HE3      TRP  51  15.122 -16.063 -16.050
  361    HZ2  TRP  51           HZ2      TRP  51  15.071 -11.108 -16.424
  362    HZ3  TRP  51           HZ3      TRP  51  14.427 -14.980 -18.167
  363    HH2  TRP  51           HH2      TRP  51  14.399 -12.508 -18.359
  364    H    THR  52           HN       THR  52  14.217 -17.816 -14.306
  365    HA   THR  52           HA       THR  52  12.488 -16.078 -15.737
  366    HB   THR  52           HB       THR  52  12.782 -19.089 -15.848
  367    HG1  THR  52           HG1      THR  52  14.628 -18.325 -16.590
  368   HG21  THR  52          HG21      THR  52  11.125 -17.131 -17.374
  369   HG22  THR  52          HG22      THR  52  10.776 -18.807 -16.949
  370   HG23  THR  52          HG23      THR  52  11.881 -18.445 -18.276
  371    H    VAL  53           HN       VAL  53  11.873 -18.804 -13.536
  372    HA   VAL  53           HA       VAL  53   9.076 -18.830 -13.726
  373    HB   VAL  53           HB       VAL  53  11.017 -19.670 -11.591
  374   HG11  VAL  53          HG11      VAL  53   9.218 -19.064 -10.209
  375   HG12  VAL  53          HG12      VAL  53   8.869 -20.753 -10.574
  376   HG13  VAL  53          HG13      VAL  53   8.017 -19.471 -11.434
  377   HG21  VAL  53          HG21      VAL  53  10.556 -21.822 -12.357
  378   HG22  VAL  53          HG22      VAL  53  10.391 -20.897 -13.849
  379   HG23  VAL  53          HG23      VAL  53   8.955 -21.378 -12.946
  380    H    PHE  54           HN       PHE  54  11.209 -17.067 -11.491
  381    HA   PHE  54           HA       PHE  54   9.266 -15.864  -9.900
  382    HB2  PHE  54           HB2      PHE  54  12.085 -15.444 -10.489
  383    HB3  PHE  54           HB1      PHE  54  11.240 -13.927 -10.184
  384    HD1  PHE  54           HD2      PHE  54  11.526 -17.409  -8.822
  385    HD2  PHE  54           HD1      PHE  54  10.883 -13.248  -7.972
  386    HE1  PHE  54           HE2      PHE  54  11.511 -17.908  -6.392
  387    HE2  PHE  54           HE1      PHE  54  10.870 -13.747  -5.544
  388    HZ   PHE  54           HZ       PHE  54  11.184 -16.076  -4.753
  389    H    ARG  55           HN       ARG  55  10.011 -15.347 -13.205
  390    HA   ARG  55           HA       ARG  55   8.708 -12.718 -13.254
  391    HB2  ARG  55           HB2      ARG  55  10.516 -14.223 -15.057
  392    HB3  ARG  55           HB1      ARG  55   9.307 -13.205 -15.840
  393    HG2  ARG  55           HG2      ARG  55  10.125 -11.242 -14.840
  394    HG3  ARG  55           HG1      ARG  55  10.959 -12.129 -13.564
  395    HD2  ARG  55           HD2      ARG  55  12.232 -11.131 -15.729
  396    HD3  ARG  55           HD1      ARG  55  12.781 -12.568 -14.871
  397    HE   ARG  55           HE       ARG  55  12.060 -13.874 -16.672
  398   HH11  ARG  55          HH21      ARG  55  10.970 -10.598 -16.925
  399   HH12  ARG  55          HH22      ARG  55  10.422 -10.761 -18.559
  400   HH21  ARG  55          HH11      ARG  55  11.343 -14.094 -18.817
  401   HH22  ARG  55          HH12      ARG  55  10.633 -12.741 -19.631
  402    H    LYS  56           HN       LYS  56   7.911 -15.972 -13.550
  403    HA   LYS  56           HA       LYS  56   5.599 -15.395 -15.293
  404    HB2  LYS  56           HB2      LYS  56   5.731 -17.517 -16.096
  405    HB3  LYS  56           HB1      LYS  56   7.394 -17.406 -15.527
  406    HG2  LYS  56           HG2      LYS  56   6.566 -18.344 -13.298
  407    HG3  LYS  56           HG1      LYS  56   5.035 -18.684 -14.107
  408    HD2  LYS  56           HD2      LYS  56   7.599 -19.666 -15.341
  409    HD3  LYS  56           HD1      LYS  56   6.882 -20.547 -13.996
  410    HE2  LYS  56           HE2      LYS  56   5.042 -19.747 -16.195
  411    HE3  LYS  56           HE1      LYS  56   6.198 -21.030 -16.550
  412    HZ1  LYS  56           HZ1      LYS  56   3.840 -21.401 -15.326
  413    HZ2  LYS  56           HZ2      LYS  56   4.883 -21.271 -13.992
  414    HZ3  LYS  56           HZ3      LYS  56   5.167 -22.447 -15.185
  415    H    LYS  57           HN       LYS  57   6.575 -16.392 -12.102
  416    HA   LYS  57           HA       LYS  57   3.843 -17.056 -11.313
  417    HB2  LYS  57           HB2      LYS  57   4.809 -17.684  -9.184
  418    HB3  LYS  57           HB1      LYS  57   5.797 -18.372 -10.472
  419    HG2  LYS  57           HG2      LYS  57   7.550 -17.394  -9.431
  420    HG3  LYS  57           HG1      LYS  57   6.937 -15.879 -10.095
  421    HD2  LYS  57           HD2      LYS  57   5.564 -15.552  -8.062
  422    HD3  LYS  57           HD1      LYS  57   6.206 -17.053  -7.395
  423    HE2  LYS  57           HE2      LYS  57   8.508 -16.096  -7.565
  424    HE3  LYS  57           HE1      LYS  57   7.800 -14.573  -8.101
  425    HZ1  LYS  57           HZ1      LYS  57   6.560 -15.565  -5.728
  426    HZ2  LYS  57           HZ2      LYS  57   7.248 -14.041  -6.032
  427    HZ3  LYS  57           HZ3      LYS  57   8.226 -15.331  -5.514
  428    H    GLY  58           HN       GLY  58   6.048 -14.400 -11.243
  429    HA2  GLY  58           HA2      GLY  58   4.779 -12.972  -9.085
  430    HA3  GLY  58           HA1      GLY  58   5.987 -12.334 -10.197
  431    H    HIS  59           HN       HIS  59   4.395 -13.207 -12.545
  432    HA   HIS  59           HA       HIS  59   3.048 -10.830 -13.108
  433    HB2  HIS  59           HB2      HIS  59   3.652 -13.187 -14.482
  434    HB3  HIS  59           HB1      HIS  59   1.891 -13.081 -14.525
  435    HD2  HIS  59           HD2      HIS  59   4.856 -11.590 -16.388
  436    HE1  HIS  59           HE1      HIS  59   1.636  -8.948 -17.081
  437    HE2  HIS  59           HE2      HIS  59   3.991  -9.569 -17.797
  438    H    HIS  60           HN       HIS  60   1.986 -13.685 -11.426
  439    HA   HIS  60           HA       HIS  60  -0.796 -12.716 -11.416
  440    HB2  HIS  60           HB2      HIS  60   0.326 -15.353 -10.440
  441    HB3  HIS  60           HB1      HIS  60  -1.380 -14.925 -10.568
  442    HD2  HIS  60           HD2      HIS  60  -2.396 -14.859 -13.242
  443    HE1  HIS  60           HE1      HIS  60   1.071 -16.466 -15.035
  444    HE2  HIS  60           HE2      HIS  60  -1.361 -15.848 -15.426
  445    H    HIS  61           HN       HIS  61   1.244 -14.382  -9.020
  446    HA   HIS  61           HA       HIS  61   1.791 -13.819  -6.857
  447    HB2  HIS  61           HB2      HIS  61   1.615 -11.413  -7.956
  448    HB3  HIS  61           HB1      HIS  61   0.192 -11.309  -6.922
  449    HD2  HIS  61           HD2      HIS  61   4.015 -11.032  -6.605
  450    HE1  HIS  61           HE1      HIS  61   2.519 -11.389  -2.674
  451    HE2  HIS  61           HE2      HIS  61   4.578 -10.858  -4.062
  452    H    HIS  62           HN       HIS  62  -0.146 -12.163  -5.240
  453    HA   HIS  62           HA       HIS  62  -1.639 -14.264  -4.130
  454    HB2  HIS  62           HB2      HIS  62  -2.931 -12.343  -3.024
  455    HB3  HIS  62           HB1      HIS  62  -1.195 -12.426  -2.722
  456    HD2  HIS  62           HD2      HIS  62  -3.663  -9.798  -3.765
  457    HE1  HIS  62           HE1      HIS  62  -0.023  -8.596  -5.536
  458    HE2  HIS  62           HE2      HIS  62  -2.382  -7.857  -4.950
  459    H    HIS  63           HN       HIS  63  -3.602 -11.520  -4.808
  460    HA   HIS  63           HA       HIS  63  -5.690 -13.144  -5.900
  461    HB2  HIS  63           HB2      HIS  63  -6.044 -11.086  -4.490
  462    HB3  HIS  63           HB1      HIS  63  -5.527 -10.125  -5.876
  463    HD2  HIS  63           HD2      HIS  63  -7.559  -9.613  -7.692
  464    HE1  HIS  63           HE1      HIS  63 -10.319 -12.488  -6.299
  465    HE2  HIS  63           HE2      HIS  63  -9.971 -10.581  -7.939
  466    H    HIS  64           HN       HIS  64  -3.370 -13.364  -7.450
  467    HA   HIS  64           HA       HIS  64  -2.538 -13.117  -9.578
  468    HB2  HIS  64           HB2      HIS  64  -4.077 -13.773 -11.252
  469    HB3  HIS  64           HB1      HIS  64  -4.681 -14.514  -9.769
  470    HD2  HIS  64           HD2      HIS  64  -7.220 -13.641  -8.984
  471    HE1  HIS  64           HE1      HIS  64  -7.654 -10.595 -11.874
  472    HE2  HIS  64           HE2      HIS  64  -8.838 -11.881 -10.033
  Start of MODEL   23
    1    H1   MET   1           HT1      MET   1  35.812  -7.909  23.866
    2    H2   MET   1           HT2      MET   1  34.876  -8.342  22.515
    3    H3   MET   1           HT3      MET   1  35.273  -6.713  22.791
    4    HA   MET   1           HA       MET   1  37.110  -6.919  21.604
    5    HB2  MET   1           HB2      MET   1  37.599  -8.541  23.955
    6    HB3  MET   1           HB1      MET   1  38.457  -9.196  22.560
    7    HG2  MET   1           HG2      MET   1  39.838  -7.518  23.729
    8    HG3  MET   1           HG1      MET   1  39.422  -6.970  22.105
    9    HE1  MET   1           HE1      MET   1  40.251  -5.319  25.048
   10    HE2  MET   1           HE2      MET   1  39.548  -3.816  24.456
   11    HE3  MET   1           HE3      MET   1  40.448  -4.854  23.353
   12    H    GLU   2           HN       GLU   2  37.245  -7.629  19.567
   13    HA   GLU   2           HA       GLU   2  36.693  -8.869  17.692
   14    HB2  GLU   2           HB2      GLU   2  37.899 -11.008  19.466
   15    HB3  GLU   2           HB1      GLU   2  37.715 -11.114  17.716
   16    HG2  GLU   2           HG2      GLU   2  39.247  -9.327  17.343
   17    HG3  GLU   2           HG1      GLU   2  39.218  -8.852  19.040
   18    H    GLU   3           HN       GLU   3  35.965 -11.524  17.365
   19    HA   GLU   3           HA       GLU   3  34.114 -12.882  17.319
   20    HB2  GLU   3           HB2      GLU   3  34.776 -12.692  19.927
   21    HB3  GLU   3           HB1      GLU   3  33.157 -11.994  19.980
   22    HG2  GLU   3           HG2      GLU   3  32.457 -14.042  18.551
   23    HG3  GLU   3           HG1      GLU   3  33.985 -14.745  19.075
   24    H    GLY   4           HN       GLY   4  31.737 -12.863  17.260
   25    HA2  GLY   4           HA2      GLY   4  29.805 -11.203  17.701
   26    HA3  GLY   4           HA1      GLY   4  30.747 -10.156  16.644
   27    H    GLY   5           HN       GLY   5  30.795 -10.544  14.440
   28    HA2  GLY   5           HA2      GLY   5  29.603 -12.927  13.307
   29    HA3  GLY   5           HA1      GLY   5  28.631 -11.473  13.103
   30    H    ASP   6           HN       ASP   6  29.816  -9.560  12.163
   31    HA   ASP   6           HA       ASP   6  32.179 -10.052  10.597
   32    HB2  ASP   6           HB2      ASP   6  30.093 -11.108   9.372
   33    HB3  ASP   6           HB1      ASP   6  29.780  -9.433   8.922
   34    H    PHE   7           HN       PHE   7  31.586  -8.151  12.530
   35    HA   PHE   7           HA       PHE   7  31.061  -5.669  11.035
   36    HB2  PHE   7           HB2      PHE   7  31.476  -5.691  13.990
   37    HB3  PHE   7           HB1      PHE   7  30.386  -4.706  13.014
   38    HD1  PHE   7           HD2      PHE   7  28.368  -5.842  11.926
   39    HD2  PHE   7           HD1      PHE   7  30.722  -7.689  15.008
   40    HE1  PHE   7           HE2      PHE   7  26.519  -7.429  12.387
   41    HE2  PHE   7           HE1      PHE   7  28.873  -9.276  15.469
   42    HZ   PHE   7           HZ       PHE   7  26.771  -9.146  14.159
   43    H    ASP   8           HN       ASP   8  32.405  -3.777  12.246
   44    HA   ASP   8           HA       ASP   8  34.470  -2.746  12.133
   45    HB2  ASP   8           HB2      ASP   8  34.334  -4.337  14.322
   46    HB3  ASP   8           HB1      ASP   8  35.767  -5.001  13.538
   47    H    ASN   9           HN       ASN   9  33.842  -4.566   9.926
   48    HA   ASN   9           HA       ASN   9  35.744  -6.311   9.081
   49    HB2  ASN   9           HB2      ASN   9  33.768  -5.593   7.750
   50    HB3  ASN   9           HB1      ASN   9  34.610  -4.093   7.364
   51   HD21  ASN   9          HD21      ASN   9  36.306  -4.172   5.783
   52   HD22  ASN   9          HD22      ASN   9  36.675  -5.580   4.910
   53    H    TYR  10           HN       TYR  10  35.978  -2.995   7.841
   54    HA   TYR  10           HA       TYR  10  38.595  -2.986   7.085
   55    HB2  TYR  10           HB2      TYR  10  37.528  -0.580   8.523
   56    HB3  TYR  10           HB1      TYR  10  38.491  -0.660   7.049
   57    HD1  TYR  10           HD1      TYR  10  37.175  -2.459   5.291
   58    HD2  TYR  10           HD2      TYR  10  35.404   0.288   8.079
   59    HE1  TYR  10           HE1      TYR  10  35.104  -2.409   3.928
   60    HE2  TYR  10           HE2      TYR  10  33.334   0.337   6.716
   61    HH   TYR  10           HH       TYR  10  32.921  -1.792   3.925
   62    H    TYR  11           HN       TYR  11  40.561  -2.223   8.050
   63    HA   TYR  11           HA       TYR  11  42.182  -2.530   9.671
   64    HB2  TYR  11           HB2      TYR  11  40.760  -0.312  10.182
   65    HB3  TYR  11           HB1      TYR  11  40.425  -1.202  11.668
   66    HD1  TYR  11           HD1      TYR  11  43.107   0.215   9.537
   67    HD2  TYR  11           HD2      TYR  11  42.144  -1.618  13.301
   68    HE1  TYR  11           HE1      TYR  11  45.358   0.799  10.397
   69    HE2  TYR  11           HE2      TYR  11  44.395  -1.033  14.161
   70    HH   TYR  11           HH       TYR  11  46.198   0.410  13.756
   71    H    GLY  12           HN       GLY  12  40.501  -4.775   9.453
   72    HA2  GLY  12           HA2      GLY  12  41.158  -6.309  11.628
   73    HA3  GLY  12           HA1      GLY  12  39.587  -5.629  12.039
   74    H    ALA  13           HN       ALA  13  40.476  -6.290   8.739
   75    HA   ALA  13           HA       ALA  13  38.725  -8.674   8.725
   76    HB1  ALA  13           HB1      ALA  13  37.280  -7.310   7.613
   77    HB2  ALA  13           HB2      ALA  13  38.328  -7.682   6.243
   78    HB3  ALA  13           HB3      ALA  13  38.549  -6.180   7.138
   79    H    ASP  14           HN       ASP  14  41.539  -7.016   7.504
   80    HA   ASP  14           HA       ASP  14  42.185  -9.238   5.701
   81    HB2  ASP  14           HB2      ASP  14  44.119  -7.772   5.061
   82    HB3  ASP  14           HB1      ASP  14  42.540  -7.047   4.766
   83    H    ASN  15           HN       ASN  15  43.088  -7.857   8.769
   84    HA   ASN  15           HA       ASN  15  45.633  -8.868   9.170
   85    HB2  ASN  15           HB2      ASN  15  43.382  -8.067  10.885
   86    HB3  ASN  15           HB1      ASN  15  44.484  -9.225  11.629
   87   HD21  ASN  15          HD21      ASN  15  44.218  -5.936  10.371
   88   HD22  ASN  15          HD22      ASN  15  45.732  -5.411  10.930
   89    H    GLN  16           HN       GLN  16  42.589 -10.549   9.046
   90    HA   GLN  16           HA       GLN  16  43.756 -13.013  10.110
   91    HB2  GLN  16           HB2      GLN  16  41.552 -13.877  10.160
   92    HB3  GLN  16           HB1      GLN  16  41.389 -12.190  10.650
   93    HG2  GLN  16           HG2      GLN  16  40.993 -11.708   8.138
   94    HG3  GLN  16           HG1      GLN  16  40.719 -13.442   7.990
   95   HE21  GLN  16          HE21      GLN  16  38.686 -14.246   8.654
   96   HE22  GLN  16          HE22      GLN  16  37.495 -13.294   9.398
   97    H    SER  17           HN       SER  17  42.515 -11.663   7.091
   98    HA   SER  17           HA       SER  17  42.602 -14.011   5.537
   99    HB2  SER  17           HB2      SER  17  42.255 -12.630   3.701
  100    HB3  SER  17           HB1      SER  17  41.640 -11.628   5.013
  101    HG   SER  17           HG       SER  17  43.139 -10.249   4.537
  102    H    GLU  18           HN       GLU  18  45.068 -11.592   6.294
  103    HA   GLU  18           HA       GLU  18  47.092 -12.135   4.564
  104    HB2  GLU  18           HB2      GLU  18  46.964 -11.320   7.393
  105    HB3  GLU  18           HB1      GLU  18  48.500 -12.036   6.902
  106    HG2  GLU  18           HG2      GLU  18  48.731 -10.448   5.092
  107    HG3  GLU  18           HG1      GLU  18  47.115  -9.811   5.385
  108    H    CYS  19           HN       CYS  19  47.133 -13.725   7.740
  109    HA   CYS  19           HA       CYS  19  48.902 -15.728   7.277
  110    HB2  CYS  19           HB2      CYS  19  46.302 -15.933   8.810
  111    HB3  CYS  19           HB1      CYS  19  47.624 -17.095   8.925
  112    HG   CYS  19           HG       CYS  19  48.907 -14.533   9.487
  113    H    GLU  20           HN       GLU  20  45.685 -15.468   5.982
  114    HA   GLU  20           HA       GLU  20  45.629 -18.220   5.036
  115    HB2  GLU  20           HB2      GLU  20  43.712 -16.106   5.432
  116    HB3  GLU  20           HB1      GLU  20  43.595 -16.724   3.784
  117    HG2  GLU  20           HG2      GLU  20  42.147 -18.019   5.289
  118    HG3  GLU  20           HG1      GLU  20  43.449 -19.029   4.667
  119    H    TYR  21           HN       TYR  21  46.190 -14.985   3.778
  120    HA   TYR  21           HA       TYR  21  46.068 -15.418   1.047
  121    HB2  TYR  21           HB2      TYR  21  46.428 -13.201   1.928
  122    HB3  TYR  21           HB1      TYR  21  47.968 -13.684   2.639
  123    HD1  TYR  21           HD2      TYR  21  49.872 -14.366   1.130
  124    HD2  TYR  21           HD1      TYR  21  46.266 -12.576  -0.369
  125    HE1  TYR  21           HE2      TYR  21  51.027 -13.820  -0.996
  126    HE2  TYR  21           HE1      TYR  21  47.421 -12.030  -2.495
  127    HH   TYR  21           HH       TYR  21  49.385 -12.882  -3.790
  128    H    THR  22           HN       THR  22  48.542 -16.371   3.341
  129    HA   THR  22           HA       THR  22  50.466 -17.122   1.331
  130    HB   THR  22           HB       THR  22  51.615 -18.217   3.300
  131    HG1  THR  22           HG1      THR  22  49.827 -16.862   4.948
  132   HG21  THR  22          HG21      THR  22  50.771 -15.335   3.708
  133   HG22  THR  22          HG22      THR  22  52.020 -15.858   2.578
  134   HG23  THR  22          HG23      THR  22  52.243 -16.095   4.312
  135    H    ASP  23           HN       ASP  23  47.688 -18.556   2.732
  136    HA   ASP  23           HA       ASP  23  48.537 -21.273   1.999
  137    HB2  ASP  23           HB2      ASP  23  46.558 -20.111   3.845
  138    HB3  ASP  23           HB1      ASP  23  45.995 -21.528   2.962
  139    H    TRP  24           HN       TRP  24  45.726 -19.125   1.501
  140    HA   TRP  24           HA       TRP  24  44.285 -20.525  -0.338
  141    HB2  TRP  24           HB2      TRP  24  43.242 -18.539   0.045
  142    HB3  TRP  24           HB1      TRP  24  44.758 -17.643   0.143
  143    HD1  TRP  24           HD1      TRP  24  42.274 -19.057  -2.408
  144    HE1  TRP  24           HE1      TRP  24  42.616 -17.838  -4.654
  145    HE3  TRP  24           HE3      TRP  24  46.417 -16.292  -1.287
  146    HZ2  TRP  24           HZ2      TRP  24  44.411 -15.941  -5.821
  147    HZ3  TRP  24           HZ3      TRP  24  47.422 -14.789  -2.983
  148    HH2  TRP  24           HH2      TRP  24  46.424 -14.609  -5.245
  149    H    LYS  25           HN       LYS  25  47.089 -18.451  -1.061
  150    HA   LYS  25           HA       LYS  25  47.172 -18.652  -3.807
  151    HB2  LYS  25           HB2      LYS  25  48.742 -17.362  -2.257
  152    HB3  LYS  25           HB1      LYS  25  49.651 -18.866  -2.100
  153    HG2  LYS  25           HG2      LYS  25  49.974 -18.959  -4.525
  154    HG3  LYS  25           HG1      LYS  25  49.003 -17.499  -4.729
  155    HD2  LYS  25           HD2      LYS  25  50.633 -16.122  -3.774
  156    HD3  LYS  25           HD1      LYS  25  51.396 -17.457  -2.911
  157    HE2  LYS  25           HE2      LYS  25  52.630 -16.550  -4.984
  158    HE3  LYS  25           HE1      LYS  25  52.414 -18.297  -4.880
  159    HZ1  LYS  25           HZ1      LYS  25  50.199 -16.979  -6.124
  160    HZ2  LYS  25           HZ2      LYS  25  51.117 -18.301  -6.667
  161    HZ3  LYS  25           HZ3      LYS  25  51.652 -16.716  -6.959
  162    H    SER  26           HN       SER  26  48.040 -21.063  -1.413
  163    HA   SER  26           HA       SER  26  49.059 -22.870  -3.484
  164    HB2  SER  26           HB2      SER  26  50.040 -22.491  -1.064
  165    HB3  SER  26           HB1      SER  26  48.796 -23.652  -0.608
  166    HG   SER  26           HG       SER  26  50.408 -24.182  -2.838
  167    H    SER  27           HN       SER  27  46.457 -22.649  -1.083
  168    HA   SER  27           HA       SER  27  45.280 -25.164  -1.832
  169    HB2  SER  27           HB2      SER  27  44.382 -22.864  -0.105
  170    HB3  SER  27           HB1      SER  27  43.324 -24.227  -0.458
  171    HG   SER  27           HG       SER  27  45.383 -25.451   0.216
  172    H    GLY  28           HN       GLY  28  45.579 -22.479  -3.582
  173    HA2  GLY  28           HA2      GLY  28  42.842 -22.206  -4.530
  174    HA3  GLY  28           HA1      GLY  28  44.248 -21.322  -5.119
  175    H    ALA  29           HN       ALA  29  45.429 -24.276  -5.122
  176    HA   ALA  29           HA       ALA  29  44.752 -24.726  -7.937
  177    HB1  ALA  29           HB1      ALA  29  47.153 -24.740  -6.806
  178    HB2  ALA  29           HB2      ALA  29  46.763 -25.837  -8.130
  179    HB3  ALA  29           HB3      ALA  29  46.726 -26.418  -6.465
  180    H    LEU  30           HN       LEU  30  42.664 -25.280  -6.200
  181    HA   LEU  30           HA       LEU  30  42.018 -27.949  -6.910
  182    HB2  LEU  30           HB2      LEU  30  41.933 -28.971  -4.695
  183    HB3  LEU  30           HB1      LEU  30  43.581 -28.467  -5.064
  184    HG   LEU  30           HG       LEU  30  42.495 -26.208  -3.885
  185   HD11  LEU  30          HD11      LEU  30  40.499 -27.499  -3.213
  186   HD12  LEU  30          HD12      LEU  30  41.444 -27.019  -1.804
  187   HD13  LEU  30          HD13      LEU  30  41.533 -28.675  -2.402
  188   HD21  LEU  30          HD21      LEU  30  44.126 -28.504  -2.774
  189   HD22  LEU  30          HD22      LEU  30  43.843 -27.018  -1.868
  190   HD23  LEU  30          HD23      LEU  30  44.715 -26.965  -3.400
  191    H    ILE  31           HN       ILE  31  41.387 -25.069  -5.025
  192    HA   ILE  31           HA       ILE  31  38.703 -25.735  -4.326
  193    HB   ILE  31           HB       ILE  31  40.327 -23.214  -4.262
  194   HG12  ILE  31          HG12      ILE  31  38.718 -24.624  -2.123
  195   HG13  ILE  31          HG11      ILE  31  40.394 -25.038  -2.487
  196   HG21  ILE  31          HG21      ILE  31  38.189 -22.236  -3.165
  197   HG22  ILE  31          HG22      ILE  31  37.335 -23.501  -4.047
  198   HG23  ILE  31          HG23      ILE  31  38.262 -22.285  -4.926
  199   HD11  ILE  31          HD11      ILE  31  41.191 -22.921  -1.814
  200   HD12  ILE  31          HD12      ILE  31  39.967 -23.309  -0.605
  201   HD13  ILE  31          HD13      ILE  31  39.591 -22.189  -1.914
  202    HA   PRO  32           HA       PRO  32  37.782 -22.909  -8.224
  203    HB2  PRO  32           HB2      PRO  32  39.767 -24.073 -10.092
  204    HB3  PRO  32           HB1      PRO  32  39.283 -22.382  -9.870
  205    HG2  PRO  32           HG2      PRO  32  41.654 -23.297  -9.046
  206    HG3  PRO  32           HG1      PRO  32  40.770 -22.039  -8.165
  207    HD2  PRO  32           HD2      PRO  32  41.073 -24.944  -7.504
  208    HD3  PRO  32           HD1      PRO  32  41.009 -23.541  -6.419
  209    H    ALA  33           HN       ALA  33  39.216 -26.116  -8.869
  210    HA   ALA  33           HA       ALA  33  37.537 -27.082 -10.804
  211    HB1  ALA  33           HB1      ALA  33  38.925 -28.393  -8.494
  212    HB2  ALA  33           HB2      ALA  33  39.227 -28.564 -10.224
  213    HB3  ALA  33           HB3      ALA  33  37.823 -29.342  -9.492
  214    H    ILE  34           HN       ILE  34  37.013 -27.827  -7.350
  215    HA   ILE  34           HA       ILE  34  34.457 -28.829  -7.530
  216    HB   ILE  34           HB       ILE  34  35.935 -27.357  -5.383
  217   HG12  ILE  34          HG12      ILE  34  36.022 -29.904  -6.115
  218   HG13  ILE  34          HG11      ILE  34  36.081 -29.460  -4.411
  219   HG21  ILE  34          HG21      ILE  34  32.982 -27.985  -5.423
  220   HG22  ILE  34          HG22      ILE  34  33.785 -26.499  -4.916
  221   HG23  ILE  34          HG23      ILE  34  33.886 -27.942  -3.908
  222   HD11  ILE  34          HD11      ILE  34  33.818 -30.038  -4.059
  223   HD12  ILE  34          HD12      ILE  34  34.416 -31.317  -5.115
  224   HD13  ILE  34          HD13      ILE  34  33.448 -30.003  -5.783
  225    H    TYR  35           HN       TYR  35  35.320 -25.430  -6.861
  226    HA   TYR  35           HA       TYR  35  32.871 -24.252  -6.721
  227    HB2  TYR  35           HB2      TYR  35  35.533 -23.401  -7.464
  228    HB3  TYR  35           HB1      TYR  35  34.320 -22.551  -8.421
  229    HD1  TYR  35           HD1      TYR  35  35.153 -23.524  -4.907
  230    HD2  TYR  35           HD2      TYR  35  33.100 -20.771  -7.485
  231    HE1  TYR  35           HE1      TYR  35  34.608 -22.099  -2.951
  232    HE2  TYR  35           HE2      TYR  35  32.554 -19.346  -5.529
  233    HH   TYR  35           HH       TYR  35  33.975 -19.234  -2.886
  234    H    MET  36           HN       MET  36  34.660 -24.478  -9.803
  235    HA   MET  36           HA       MET  36  32.716 -23.713 -11.556
  236    HB2  MET  36           HB2      MET  36  35.057 -25.496 -11.705
  237    HB3  MET  36           HB1      MET  36  33.843 -25.761 -12.956
  238    HG2  MET  36           HG2      MET  36  35.586 -24.053 -13.575
  239    HG3  MET  36           HG1      MET  36  33.933 -23.439 -13.627
  240    HE1  MET  36           HE1      MET  36  34.483 -20.972 -13.478
  241    HE2  MET  36           HE2      MET  36  34.223 -20.317 -11.863
  242    HE3  MET  36           HE3      MET  36  33.107 -21.518 -12.510
  243    H    LEU  37           HN       LEU  37  33.342 -27.152 -10.824
  244    HA   LEU  37           HA       LEU  37  31.088 -28.210 -12.034
  245    HB2  LEU  37           HB2      LEU  37  33.062 -29.459 -11.020
  246    HB3  LEU  37           HB1      LEU  37  32.245 -29.292  -9.466
  247    HG   LEU  37           HG       LEU  37  30.226 -30.195 -11.140
  248   HD11  LEU  37          HD11      LEU  37  31.935 -30.655 -12.889
  249   HD12  LEU  37          HD12      LEU  37  31.166 -32.133 -12.312
  250   HD13  LEU  37          HD13      LEU  37  32.785 -31.707 -11.756
  251   HD21  LEU  37          HD21      LEU  37  32.108 -31.778  -9.358
  252   HD22  LEU  37          HD22      LEU  37  30.522 -32.328  -9.899
  253   HD23  LEU  37          HD23      LEU  37  30.654 -30.930  -8.834
  254    H    VAL  38           HN       VAL  38  31.349 -26.488  -9.023
  255    HA   VAL  38           HA       VAL  38  28.558 -27.179  -8.344
  256    HB   VAL  38           HB       VAL  38  30.733 -25.922  -6.654
  257   HG11  VAL  38          HG11      VAL  38  28.861 -25.105  -5.601
  258   HG12  VAL  38          HG12      VAL  38  28.847 -26.726  -4.906
  259   HG13  VAL  38          HG13      VAL  38  27.809 -26.347  -6.281
  260   HG21  VAL  38          HG21      VAL  38  30.637 -28.086  -5.447
  261   HG22  VAL  38          HG22      VAL  38  31.102 -28.312  -7.134
  262   HG23  VAL  38          HG23      VAL  38  29.456 -28.677  -6.617
  263    H    PHE  39           HN       PHE  39  30.005 -24.982 -10.171
  264    HA   PHE  39           HA       PHE  39  28.359 -22.719  -9.203
  265    HB2  PHE  39           HB2      PHE  39  30.864 -22.384  -9.302
  266    HB3  PHE  39           HB1      PHE  39  30.742 -22.555 -11.052
  267    HD1  PHE  39           HD2      PHE  39  29.256 -20.642  -8.193
  268    HD2  PHE  39           HD1      PHE  39  30.262 -20.678 -12.370
  269    HE1  PHE  39           HE2      PHE  39  28.582 -18.262  -8.377
  270    HE2  PHE  39           HE1      PHE  39  29.587 -18.298 -12.553
  271    HZ   PHE  39           HZ       PHE  39  28.748 -17.090 -10.556
  272    H    LEU  40           HN       LEU  40  29.046 -24.862 -11.849
  273    HA   LEU  40           HA       LEU  40  27.260 -23.329 -13.623
  274    HB2  LEU  40           HB2      LEU  40  28.131 -24.789 -15.415
  275    HB3  LEU  40           HB1      LEU  40  29.428 -23.929 -14.583
  276    HG   LEU  40           HG       LEU  40  29.179 -26.229 -13.074
  277   HD11  LEU  40          HD11      LEU  40  28.851 -26.943 -16.007
  278   HD12  LEU  40          HD12      LEU  40  27.637 -27.192 -14.753
  279   HD13  LEU  40          HD13      LEU  40  29.156 -28.085 -14.698
  280   HD21  LEU  40          HD21      LEU  40  30.969 -25.747 -15.481
  281   HD22  LEU  40          HD22      LEU  40  31.290 -26.893 -14.179
  282   HD23  LEU  40          HD23      LEU  40  31.276 -25.161 -13.847
  283    H    LEU  41           HN       LEU  41  26.990 -25.640 -11.345
  284    HA   LEU  41           HA       LEU  41  25.072 -27.294 -12.845
  285    HB2  LEU  41           HB2      LEU  41  26.871 -27.751 -10.597
  286    HB3  LEU  41           HB1      LEU  41  25.236 -28.322 -10.274
  287    HG   LEU  41           HG       LEU  41  26.776 -28.980 -12.801
  288   HD11  LEU  41          HD11      LEU  41  27.024 -30.043 -10.122
  289   HD12  LEU  41          HD12      LEU  41  27.936 -30.464 -11.571
  290   HD13  LEU  41          HD13      LEU  41  26.416 -31.284 -11.218
  291   HD21  LEU  41          HD21      LEU  41  24.736 -30.859 -12.035
  292   HD22  LEU  41          HD22      LEU  41  24.827 -29.876 -13.497
  293   HD23  LEU  41          HD23      LEU  41  24.040 -29.239 -12.054
  294    H    GLY  42           HN       GLY  42  25.249 -25.872  -9.561
  295    HA2  GLY  42           HA2      GLY  42  22.315 -25.649  -9.585
  296    HA3  GLY  42           HA1      GLY  42  23.337 -25.607  -8.155
  297    H    THR  43           HN       THR  43  24.701 -23.715 -10.579
  298    HA   THR  43           HA       THR  43  23.312 -21.282  -9.631
  299    HB   THR  43           HB       THR  43  26.104 -20.788 -10.226
  300    HG1  THR  43           HG1      THR  43  26.145 -23.003  -9.410
  301   HG21  THR  43          HG21      THR  43  25.993 -19.638  -8.104
  302   HG22  THR  43          HG22      THR  43  24.540 -20.525  -7.647
  303   HG23  THR  43          HG23      THR  43  24.478 -19.346  -8.958
  304    H    THR  44           HN       THR  44  23.066 -22.899 -12.093
  305    HA   THR  44           HA       THR  44  23.585 -20.721 -14.007
  306    HB   THR  44           HB       THR  44  24.435 -23.588 -14.227
  307    HG1  THR  44           HG1      THR  44  26.163 -22.350 -15.341
  308   HG21  THR  44          HG21      THR  44  24.713 -23.006 -16.742
  309   HG22  THR  44          HG22      THR  44  23.477 -21.784 -16.443
  310   HG23  THR  44          HG23      THR  44  23.115 -23.490 -16.174
  311    H    GLY  45           HN       GLY  45  21.939 -23.823 -13.439
  312    HA2  GLY  45           HA2      GLY  45  19.772 -22.984 -15.249
  313    HA3  GLY  45           HA1      GLY  45  20.052 -24.624 -14.671
  314    H    ASN  46           HN       ASN  46  20.568 -22.889 -12.011
  315    HA   ASN  46           HA       ASN  46  17.892 -23.396 -10.977
  316    HB2  ASN  46           HB2      ASN  46  18.958 -23.727  -9.034
  317    HB3  ASN  46           HB1      ASN  46  20.477 -23.498  -9.900
  318   HD21  ASN  46          HD21      ASN  46  21.327 -21.211  -9.989
  319   HD22  ASN  46          HD22      ASN  46  20.923 -20.139  -8.737
  320    H    GLY  47           HN       GLY  47  20.144 -20.644 -11.222
  321    HA2  GLY  47           HA2      GLY  47  18.355 -18.707 -10.181
  322    HA3  GLY  47           HA1      GLY  47  19.786 -18.370 -11.152
  323    H    LEU  48           HN       LEU  48  19.281 -19.478 -13.544
  324    HA   LEU  48           HA       LEU  48  17.672 -17.657 -14.869
  325    HB2  LEU  48           HB2      LEU  48  19.279 -18.983 -16.086
  326    HB3  LEU  48           HB1      LEU  48  18.454 -20.476 -15.649
  327    HG   LEU  48           HG       LEU  48  16.527 -19.882 -16.995
  328   HD11  LEU  48          HD11      LEU  48  17.928 -17.218 -17.159
  329   HD12  LEU  48          HD12      LEU  48  16.250 -17.559 -16.733
  330   HD13  LEU  48          HD13      LEU  48  16.781 -17.706 -18.407
  331   HD21  LEU  48          HD21      LEU  48  17.513 -20.387 -18.987
  332   HD22  LEU  48          HD22      LEU  48  18.978 -20.508 -18.013
  333   HD23  LEU  48          HD23      LEU  48  18.624 -19.021 -18.895
  334    H    VAL  49           HN       VAL  49  16.845 -20.996 -13.922
  335    HA   VAL  49           HA       VAL  49  14.193 -20.970 -14.844
  336    HB   VAL  49           HB       VAL  49  15.627 -22.542 -12.717
  337   HG11  VAL  49          HG11      VAL  49  13.417 -23.961 -12.870
  338   HG12  VAL  49          HG12      VAL  49  12.690 -22.424 -13.340
  339   HG13  VAL  49          HG13      VAL  49  13.489 -22.579 -11.776
  340   HG21  VAL  49          HG21      VAL  49  15.847 -22.853 -15.295
  341   HG22  VAL  49          HG22      VAL  49  14.226 -23.541 -15.194
  342   HG23  VAL  49          HG23      VAL  49  15.556 -24.283 -14.304
  343    H    LEU  50           HN       LEU  50  15.090 -20.931 -11.396
  344    HA   LEU  50           HA       LEU  50  12.733 -20.071 -10.323
  345    HB2  LEU  50           HB2      LEU  50  15.516 -19.216  -9.483
  346    HB3  LEU  50           HB1      LEU  50  14.070 -19.066  -8.486
  347    HG   LEU  50           HG       LEU  50  15.135 -21.679  -9.604
  348   HD11  LEU  50          HD11      LEU  50  16.657 -21.423  -7.936
  349   HD12  LEU  50          HD12      LEU  50  15.311 -21.843  -6.876
  350   HD13  LEU  50          HD13      LEU  50  15.722 -20.149  -7.151
  351   HD21  LEU  50          HD21      LEU  50  12.898 -22.143  -9.238
  352   HD22  LEU  50          HD22      LEU  50  12.726 -20.892  -8.008
  353   HD23  LEU  50          HD23      LEU  50  13.515 -22.418  -7.610
  354    H    TRP  51           HN       TRP  51  15.065 -18.181 -12.111
  355    HA   TRP  51           HA       TRP  51  13.930 -15.624 -11.420
  356    HB2  TRP  51           HB2      TRP  51  16.256 -15.707 -12.056
  357    HB3  TRP  51           HB1      TRP  51  15.856 -16.477 -13.592
  358    HD1  TRP  51           HD1      TRP  51  15.826 -13.128 -11.809
  359    HE1  TRP  51           HE1      TRP  51  15.300 -11.269 -13.515
  360    HE3  TRP  51           HE3      TRP  51  14.600 -15.973 -15.869
  361    HZ2  TRP  51           HZ2      TRP  51  14.468 -11.019 -16.240
  362    HZ3  TRP  51           HZ3      TRP  51  13.944 -14.900 -18.004
  363    HH2  TRP  51           HH2      TRP  51  13.878 -12.429 -18.195
  364    H    THR  52           HN       THR  52  13.837 -17.745 -14.277
  365    HA   THR  52           HA       THR  52  12.165 -16.115 -15.856
  366    HB   THR  52           HB       THR  52  12.616 -19.103 -15.835
  367    HG1  THR  52           HG1      THR  52  13.502 -16.968 -17.477
  368   HG21  THR  52          HG21      THR  52  10.500 -18.884 -16.858
  369   HG22  THR  52          HG22      THR  52  11.630 -18.863 -18.212
  370   HG23  THR  52          HG23      THR  52  10.933 -17.354 -17.622
  371    H    VAL  53           HN       VAL  53  11.368 -18.918 -13.798
  372    HA   VAL  53           HA       VAL  53   8.619 -18.955 -14.149
  373    HB   VAL  53           HB       VAL  53  10.389 -19.678 -11.828
  374   HG11  VAL  53          HG11      VAL  53   7.380 -19.548 -11.927
  375   HG12  VAL  53          HG12      VAL  53   8.465 -19.043 -10.631
  376   HG13  VAL  53          HG13      VAL  53   8.192 -20.760 -10.936
  377   HG21  VAL  53          HG21      VAL  53   9.825 -20.969 -14.139
  378   HG22  VAL  53          HG22      VAL  53   8.489 -21.550 -13.146
  379   HG23  VAL  53          HG23      VAL  53  10.153 -21.818 -12.627
  380    H    PHE  54           HN       PHE  54  10.453 -17.186 -11.646
  381    HA   PHE  54           HA       PHE  54   8.319 -15.922 -10.392
  382    HB2  PHE  54           HB2      PHE  54  11.203 -15.547 -10.559
  383    HB3  PHE  54           HB1      PHE  54  10.343 -14.015 -10.395
  384    HD1  PHE  54           HD2      PHE  54  10.585 -17.447  -8.936
  385    HD2  PHE  54           HD1      PHE  54   9.459 -13.349  -8.312
  386    HE1  PHE  54           HE2      PHE  54  10.203 -17.917  -6.531
  387    HE2  PHE  54           HE1      PHE  54   9.076 -13.820  -5.908
  388    HZ   PHE  54           HZ       PHE  54   9.448 -16.104  -5.017
  389    H    ARG  55           HN       ARG  55   9.875 -15.220 -13.445
  390    HA   ARG  55           HA       ARG  55   8.576 -12.655 -13.779
  391    HB2  ARG  55           HB2      ARG  55  10.748 -13.986 -14.987
  392    HB3  ARG  55           HB1      ARG  55   9.524 -13.824 -16.242
  393    HG2  ARG  55           HG2      ARG  55  10.908 -11.831 -16.267
  394    HG3  ARG  55           HG1      ARG  55   9.306 -11.402 -15.676
  395    HD2  ARG  55           HD2      ARG  55  11.743 -10.877 -14.410
  396    HD3  ARG  55           HD1      ARG  55  10.139 -10.704 -13.705
  397    HE   ARG  55           HE       ARG  55  10.612 -13.304 -13.266
  398   HH11  ARG  55          HH21      ARG  55  12.597 -10.496 -12.861
  399   HH12  ARG  55          HH22      ARG  55  13.529 -11.178 -11.573
  400   HH21  ARG  55          HH11      ARG  55  11.839 -14.202 -11.584
  401   HH22  ARG  55          HH12      ARG  55  13.100 -13.272 -10.847
  402    H    LYS  56           HN       LYS  56   7.794 -15.949 -14.292
  403    HA   LYS  56           HA       LYS  56   5.636 -15.259 -16.174
  404    HB2  LYS  56           HB2      LYS  56   5.934 -17.287 -17.112
  405    HB3  LYS  56           HB1      LYS  56   7.447 -17.338 -16.212
  406    HG2  LYS  56           HG2      LYS  56   6.182 -18.405 -14.299
  407    HG3  LYS  56           HG1      LYS  56   4.779 -18.515 -15.368
  408    HD2  LYS  56           HD2      LYS  56   5.958 -19.940 -16.900
  409    HD3  LYS  56           HD1      LYS  56   7.489 -19.670 -16.068
  410    HE2  LYS  56           HE2      LYS  56   6.475 -20.715 -14.014
  411    HE3  LYS  56           HE1      LYS  56   5.061 -21.127 -14.986
  412    HZ1  LYS  56           HZ1      LYS  56   6.450 -23.002 -15.033
  413    HZ2  LYS  56           HZ2      LYS  56   7.845 -22.077 -15.323
  414    HZ3  LYS  56           HZ3      LYS  56   6.670 -22.252 -16.538
  415    H    LYS  57           HN       LYS  57   6.268 -16.038 -12.915
  416    HA   LYS  57           HA       LYS  57   3.430 -16.686 -12.423
  417    HB2  LYS  57           HB2      LYS  57   5.061 -18.365 -11.628
  418    HB3  LYS  57           HB1      LYS  57   5.844 -17.126 -10.648
  419    HG2  LYS  57           HG2      LYS  57   2.945 -17.261 -10.215
  420    HG3  LYS  57           HG1      LYS  57   3.778 -18.760  -9.803
  421    HD2  LYS  57           HD2      LYS  57   5.326 -17.547  -8.355
  422    HD3  LYS  57           HD1      LYS  57   4.594 -16.011  -8.820
  423    HE2  LYS  57           HE2      LYS  57   3.817 -17.673  -6.686
  424    HE3  LYS  57           HE1      LYS  57   2.957 -16.260  -7.294
  425    HZ1  LYS  57           HZ1      LYS  57   1.765 -17.639  -8.831
  426    HZ2  LYS  57           HZ2      LYS  57   1.590 -18.287  -7.270
  427    HZ3  LYS  57           HZ3      LYS  57   2.659 -19.008  -8.377
  428    H    GLY  58           HN       GLY  58   5.770 -14.259 -12.168
  429    HA2  GLY  58           HA2      GLY  58   4.658 -12.954  -9.824
  430    HA3  GLY  58           HA1      GLY  58   5.953 -12.345 -10.849
  431    H    HIS  59           HN       HIS  59   4.415 -12.731 -13.318
  432    HA   HIS  59           HA       HIS  59   3.258 -10.191 -13.563
  433    HB2  HIS  59           HB2      HIS  59   3.378 -12.649 -15.204
  434    HB3  HIS  59           HB1      HIS  59   2.042 -11.555 -15.563
  435    HD2  HIS  59           HD2      HIS  59   3.422  -8.659 -15.381
  436    HE1  HIS  59           HE1      HIS  59   6.482 -10.206 -17.845
  437    HE2  HIS  59           HE2      HIS  59   5.421  -8.076 -16.958
  438    H    HIS  60           HN       HIS  60   2.059 -12.957 -12.034
  439    HA   HIS  60           HA       HIS  60  -0.602 -11.718 -11.838
  440    HB2  HIS  60           HB2      HIS  60   0.041 -14.454 -12.846
  441    HB3  HIS  60           HB1      HIS  60  -1.403 -14.247 -11.853
  442    HD2  HIS  60           HD2      HIS  60  -0.570 -14.037 -15.497
  443    HE1  HIS  60           HE1      HIS  60  -3.711 -11.263 -14.981
  444    HE2  HIS  60           HE2      HIS  60  -2.352 -12.551 -16.696
  445    H    HIS  61           HN       HIS  61   0.140 -11.050  -9.749
  446    HA   HIS  61           HA       HIS  61   0.614 -13.197  -7.796
  447    HB2  HIS  61           HB2      HIS  61   2.239 -11.555  -7.482
  448    HB3  HIS  61           HB1      HIS  61   1.118 -10.239  -7.827
  449    HD2  HIS  61           HD2      HIS  61   0.482  -8.966  -5.473
  450    HE1  HIS  61           HE1      HIS  61   0.632 -12.310  -2.899
  451    HE2  HIS  61           HE2      HIS  61   0.196  -9.810  -3.018
  452    H    HIS  62           HN       HIS  62  -0.902 -10.058  -7.232
  453    HA   HIS  62           HA       HIS  62  -3.471 -11.336  -6.640
  454    HB2  HIS  62           HB2      HIS  62  -1.945 -11.273  -4.553
  455    HB3  HIS  62           HB1      HIS  62  -2.223  -9.531  -4.579
  456    HD2  HIS  62           HD2      HIS  62  -4.080  -9.362  -2.490
  457    HE1  HIS  62           HE1      HIS  62  -6.859 -12.139  -4.033
  458    HE2  HIS  62           HE2      HIS  62  -6.447 -10.428  -2.204
  459    H    HIS  63           HN       HIS  63  -4.667 -10.180  -8.052
  460    HA   HIS  63           HA       HIS  63  -5.617  -8.384  -9.132
  461    HB2  HIS  63           HB2      HIS  63  -6.265  -8.193  -6.590
  462    HB3  HIS  63           HB1      HIS  63  -5.224  -6.771  -6.641
  463    HD2  HIS  63           HD2      HIS  63  -6.391  -4.539  -7.837
  464    HE1  HIS  63           HE1      HIS  63  -9.819  -6.467  -9.373
  465    HE2  HIS  63           HE2      HIS  63  -8.683  -4.219  -9.045
  466    H    HIS  64           HN       HIS  64  -2.853  -8.636  -9.557
  467    HA   HIS  64           HA       HIS  64  -0.946  -7.461 -10.128
  468    HB2  HIS  64           HB2      HIS  64  -2.564  -6.986 -11.967
  469    HB3  HIS  64           HB1      HIS  64  -3.036  -5.511 -11.123
  470    HD2  HIS  64           HD2      HIS  64   0.217  -6.967 -12.871
  471    HE1  HIS  64           HE1      HIS  64   0.605  -2.777 -12.532
  472    HE2  HIS  64           HE2      HIS  64   1.674  -4.883 -13.464
  Start of MODEL   24
    1    H1   MET   1           HT1      MET   1  52.700   4.198 -18.618
    2    H2   MET   1           HT2      MET   1  51.241   4.292 -19.484
    3    H3   MET   1           HT3      MET   1  52.245   2.932 -19.651
    4    HA   MET   1           HA       MET   1  51.200   1.918 -18.008
    5    HB2  MET   1           HB2      MET   1  52.042   4.400 -16.491
    6    HB3  MET   1           HB1      MET   1  51.265   3.018 -15.717
    7    HG2  MET   1           HG2      MET   1  53.719   2.671 -17.438
    8    HG3  MET   1           HG1      MET   1  53.850   3.075 -15.727
    9    HE1  MET   1           HE1      MET   1  55.324   1.246 -16.171
   10    HE2  MET   1           HE2      MET   1  54.891  -0.361 -16.750
   11    HE3  MET   1           HE3      MET   1  54.926  -0.036 -15.019
   12    H    GLU   2           HN       GLU   2  49.090   1.683 -18.453
   13    HA   GLU   2           HA       GLU   2  47.242   3.781 -17.542
   14    HB2  GLU   2           HB2      GLU   2  45.874   3.349 -19.643
   15    HB3  GLU   2           HB1      GLU   2  47.367   4.261 -19.873
   16    HG2  GLU   2           HG2      GLU   2  48.445   2.505 -20.926
   17    HG3  GLU   2           HG1      GLU   2  47.483   1.281 -20.098
   18    H    GLU   3           HN       GLU   3  45.241   3.023 -16.855
   19    HA   GLU   3           HA       GLU   3  44.305   0.377 -17.261
   20    HB2  GLU   3           HB2      GLU   3  46.339   0.113 -15.662
   21    HB3  GLU   3           HB1      GLU   3  45.262   0.797 -14.444
   22    HG2  GLU   3           HG2      GLU   3  44.948  -1.548 -14.268
   23    HG3  GLU   3           HG1      GLU   3  43.561  -0.979 -15.194
   24    H    GLY   4           HN       GLY   4  42.230   0.097 -16.465
   25    HA2  GLY   4           HA2      GLY   4  40.844   2.516 -15.717
   26    HA3  GLY   4           HA1      GLY   4  40.120   0.932 -15.977
   27    H    GLY   5           HN       GLY   5  39.112   0.257 -14.200
   28    HA2  GLY   5           HA2      GLY   5  38.746  -0.359 -12.011
   29    HA3  GLY   5           HA1      GLY   5  40.469  -0.130 -11.728
   30    H    ASP   6           HN       ASP   6  38.282   0.602  -9.971
   31    HA   ASP   6           HA       ASP   6  38.997   3.411  -9.587
   32    HB2  ASP   6           HB2      ASP   6  36.779   3.085 -10.967
   33    HB3  ASP   6           HB1      ASP   6  36.094   2.714  -9.385
   34    H    PHE   7           HN       PHE   7  39.817   1.165  -8.143
   35    HA   PHE   7           HA       PHE   7  38.749   1.838  -5.515
   36    HB2  PHE   7           HB2      PHE   7  38.654  -0.971  -6.636
   37    HB3  PHE   7           HB1      PHE   7  38.418  -0.567  -4.935
   38    HD1  PHE   7           HD2      PHE   7  36.442   0.697  -4.197
   39    HD2  PHE   7           HD1      PHE   7  36.981  -0.413  -8.311
   40    HE1  PHE   7           HE2      PHE   7  34.061   1.220  -4.650
   41    HE2  PHE   7           HE1      PHE   7  34.600   0.111  -8.764
   42    HZ   PHE   7           HZ       PHE   7  33.140   0.927  -6.933
   43    H    ASP   8           HN       ASP   8  40.985   2.739  -5.621
   44    HA   ASP   8           HA       ASP   8  43.272   2.626  -5.272
   45    HB2  ASP   8           HB2      ASP   8  43.805   1.648  -3.198
   46    HB3  ASP   8           HB1      ASP   8  42.098   2.063  -3.052
   47    H    ASN   9           HN       ASN   9  42.079   0.692  -7.291
   48    HA   ASN   9           HA       ASN   9  43.416  -1.772  -7.216
   49    HB2  ASN   9           HB2      ASN   9  42.550  -0.103  -9.588
   50    HB3  ASN   9           HB1      ASN   9  43.078  -1.783  -9.686
   51   HD21  ASN   9          HD21      ASN   9  41.828  -3.090  -7.673
   52   HD22  ASN   9          HD22      ASN   9  40.145  -2.891  -7.740
   53    H    TYR  10           HN       TYR  10  45.112  -2.373  -8.939
   54    HA   TYR  10           HA       TYR  10  47.396  -2.308  -9.313
   55    HB2  TYR  10           HB2      TYR  10  46.360  -1.025 -11.212
   56    HB3  TYR  10           HB1      TYR  10  46.698   0.458 -10.319
   57    HD1  TYR  10           HD2      TYR  10  48.352  -2.622 -11.655
   58    HD2  TYR  10           HD1      TYR  10  48.810   1.482 -10.471
   59    HE1  TYR  10           HE2      TYR  10  50.680  -2.634 -12.510
   60    HE2  TYR  10           HE1      TYR  10  51.137   1.469 -11.327
   61    HH   TYR  10           HH       TYR  10  52.637  -1.504 -12.525
   62    H    TYR  11           HN       TYR  11  46.579  -1.415  -6.681
   63    HA   TYR  11           HA       TYR  11  49.043  -0.369  -5.756
   64    HB2  TYR  11           HB2      TYR  11  47.802   1.681  -6.817
   65    HB3  TYR  11           HB1      TYR  11  46.828   1.614  -5.349
   66    HD1  TYR  11           HD2      TYR  11  50.366   1.729  -6.550
   67    HD2  TYR  11           HD1      TYR  11  47.635   2.519  -3.329
   68    HE1  TYR  11           HE2      TYR  11  52.177   2.864  -5.292
   69    HE2  TYR  11           HE1      TYR  11  49.447   3.655  -2.072
   70    HH   TYR  11           HH       TYR  11  52.177   3.406  -2.158
   71    H    GLY  12           HN       GLY  12  47.359  -2.541  -5.142
   72    HA2  GLY  12           HA2      GLY  12  47.451  -2.903  -2.506
   73    HA3  GLY  12           HA1      GLY  12  46.012  -1.896  -2.632
   74    H    ALA  13           HN       ALA  13  46.920  -4.166  -5.126
   75    HA   ALA  13           HA       ALA  13  44.729  -5.970  -4.285
   76    HB1  ALA  13           HB1      ALA  13  44.066  -4.514  -6.203
   77    HB2  ALA  13           HB2      ALA  13  44.070  -6.232  -6.601
   78    HB3  ALA  13           HB3      ALA  13  45.396  -5.201  -7.136
   79    H    ASP  14           HN       ASP  14  47.892  -5.562  -5.697
   80    HA   ASP  14           HA       ASP  14  48.176  -8.454  -6.116
   81    HB2  ASP  14           HB2      ASP  14  49.904  -6.086  -6.845
   82    HB3  ASP  14           HB1      ASP  14  50.430  -7.756  -7.050
   83    H    ASN  15           HN       ASN  15  49.060  -5.924  -3.928
   84    HA   ASN  15           HA       ASN  15  51.362  -6.998  -2.747
   85    HB2  ASN  15           HB2      ASN  15  49.196  -5.150  -1.829
   86    HB3  ASN  15           HB1      ASN  15  50.351  -5.766  -0.648
   87   HD21  ASN  15          HD21      ASN  15  49.883  -3.392  -3.086
   88   HD22  ASN  15          HD22      ASN  15  51.489  -2.848  -3.177
   89    H    GLN  16           HN       GLN  16  47.992  -7.841  -2.408
   90    HA   GLN  16           HA       GLN  16  48.636  -9.713  -0.224
   91    HB2  GLN  16           HB2      GLN  16  46.303  -9.778   0.260
   92    HB3  GLN  16           HB1      GLN  16  46.701  -8.081  -0.011
   93    HG2  GLN  16           HG2      GLN  16  46.062  -8.595  -2.496
   94    HG3  GLN  16           HG1      GLN  16  45.217  -9.980  -1.808
   95   HE21  GLN  16          HE21      GLN  16  44.216  -7.308  -3.021
   96   HE22  GLN  16          HE22      GLN  16  43.135  -6.723  -1.849
   97    H    SER  17           HN       SER  17  49.251 -10.026  -3.155
   98    HA   SER  17           HA       SER  17  47.900 -12.631  -3.525
   99    HB2  SER  17           HB2      SER  17  47.431 -12.206  -5.735
  100    HB3  SER  17           HB1      SER  17  47.295 -10.569  -5.099
  101    HG   SER  17           HG       SER  17  49.546 -11.772  -6.346
  102    H    GLU  18           HN       GLU  18  50.751 -10.633  -4.162
  103    HA   GLU  18           HA       GLU  18  52.371 -12.521  -5.418
  104    HB2  GLU  18           HB2      GLU  18  54.150 -11.087  -4.993
  105    HB3  GLU  18           HB1      GLU  18  52.774  -9.990  -4.871
  106    HG2  GLU  18           HG2      GLU  18  52.776 -10.642  -2.349
  107    HG3  GLU  18           HG1      GLU  18  54.418 -11.201  -2.658
  108    H    CYS  19           HN       CYS  19  51.268 -12.377  -2.162
  109    HA   CYS  19           HA       CYS  19  53.364 -14.109  -1.124
  110    HB2  CYS  19           HB2      CYS  19  50.866 -12.910   0.078
  111    HB3  CYS  19           HB1      CYS  19  51.888 -14.054   0.950
  112    HG   CYS  19           HG       CYS  19  53.288 -12.092   1.512
  113    H    GLU  20           HN       GLU  20  50.058 -14.337  -2.270
  114    HA   GLU  20           HA       GLU  20  49.857 -17.139  -1.453
  115    HB2  GLU  20           HB2      GLU  20  47.844 -15.915  -1.120
  116    HB3  GLU  20           HB1      GLU  20  47.925 -15.202  -2.730
  117    HG2  GLU  20           HG2      GLU  20  47.336 -17.215  -3.791
  118    HG3  GLU  20           HG1      GLU  20  47.775 -18.190  -2.390
  119    H    TYR  21           HN       TYR  21  50.709 -15.244  -4.188
  120    HA   TYR  21           HA       TYR  21  49.995 -16.801  -6.357
  121    HB2  TYR  21           HB2      TYR  21  51.059 -14.744  -6.820
  122    HB3  TYR  21           HB1      TYR  21  52.452 -15.142  -5.814
  123    HD1  TYR  21           HD2      TYR  21  50.747 -15.822  -9.022
  124    HD2  TYR  21           HD1      TYR  21  54.227 -16.578  -6.620
  125    HE1  TYR  21           HE2      TYR  21  51.892 -16.805 -10.990
  126    HE2  TYR  21           HE1      TYR  21  55.372 -17.561  -8.589
  127    HH   TYR  21           HH       TYR  21  54.560 -17.079 -11.615
  128    H    THR  22           HN       THR  22  52.536 -17.334  -3.992
  129    HA   THR  22           HA       THR  22  53.728 -19.530  -5.446
  130    HB   THR  22           HB       THR  22  54.952 -19.861  -3.234
  131    HG1  THR  22           HG1      THR  22  54.711 -18.163  -1.766
  132   HG21  THR  22          HG21      THR  22  55.844 -18.546  -5.148
  133   HG22  THR  22          HG22      THR  22  56.360 -17.898  -3.592
  134   HG23  THR  22          HG23      THR  22  55.067 -17.106  -4.491
  135    H    ASP  23           HN       ASP  23  51.028 -19.124  -3.413
  136    HA   ASP  23           HA       ASP  23  51.011 -21.951  -2.602
  137    HB2  ASP  23           HB2      ASP  23  49.954 -19.487  -1.495
  138    HB3  ASP  23           HB1      ASP  23  48.697 -20.714  -1.638
  139    H    TRP  24           HN       TRP  24  48.791 -19.565  -4.066
  140    HA   TRP  24           HA       TRP  24  46.708 -21.152  -4.818
  141    HB2  TRP  24           HB2      TRP  24  46.271 -19.040  -5.528
  142    HB3  TRP  24           HB1      TRP  24  47.957 -18.719  -5.935
  143    HD1  TRP  24           HD1      TRP  24  44.798 -20.372  -7.341
  144    HE1  TRP  24           HE1      TRP  24  45.046 -20.576  -9.899
  145    HE3  TRP  24           HE3      TRP  24  49.632 -18.816  -7.885
  146    HZ2  TRP  24           HZ2      TRP  24  47.033 -20.136 -11.910
  147    HZ3  TRP  24           HZ3      TRP  24  50.675 -18.718 -10.130
  148    HH2  TRP  24           HH2      TRP  24  49.384 -19.376 -12.141
  149    H    LYS  25           HN       LYS  25  49.780 -20.777  -6.572
  150    HA   LYS  25           HA       LYS  25  49.290 -22.257  -8.835
  151    HB2  LYS  25           HB2      LYS  25  51.450 -21.074  -8.132
  152    HB3  LYS  25           HB1      LYS  25  51.848 -22.557  -7.266
  153    HG2  LYS  25           HG2      LYS  25  51.653 -23.852  -9.337
  154    HG3  LYS  25           HG1      LYS  25  51.185 -22.398 -10.220
  155    HD2  LYS  25           HD2      LYS  25  53.382 -21.369  -9.551
  156    HD3  LYS  25           HD1      LYS  25  53.847 -22.930  -8.874
  157    HE2  LYS  25           HE2      LYS  25  54.660 -23.352 -10.953
  158    HE3  LYS  25           HE1      LYS  25  52.974 -23.658 -11.368
  159    HZ1  LYS  25           HZ1      LYS  25  54.053 -22.072 -12.876
  160    HZ2  LYS  25           HZ2      LYS  25  54.314 -21.017 -11.570
  161    HZ3  LYS  25           HZ3      LYS  25  52.731 -21.387 -12.062
  162    H    SER  26           HN       SER  26  49.815 -23.401  -5.560
  163    HA   SER  26           HA       SER  26  49.693 -26.196  -6.467
  164    HB2  SER  26           HB2      SER  26  50.630 -24.832  -3.979
  165    HB3  SER  26           HB1      SER  26  50.071 -26.499  -3.869
  166    HG   SER  26           HG       SER  26  51.751 -27.138  -4.992
  167    H    SER  27           HN       SER  27  48.076 -23.908  -4.286
  168    HA   SER  27           HA       SER  27  45.920 -25.837  -3.818
  169    HB2  SER  27           HB2      SER  27  45.940 -23.061  -2.696
  170    HB3  SER  27           HB1      SER  27  45.298 -24.545  -1.995
  171    HG   SER  27           HG       SER  27  47.688 -25.171  -2.124
  172    H    GLY  28           HN       GLY  28  46.330 -24.642  -6.457
  173    HA2  GLY  28           HA2      GLY  28  43.702 -23.311  -6.739
  174    HA3  GLY  28           HA1      GLY  28  45.120 -22.722  -7.601
  175    H    ALA  29           HN       ALA  29  44.755 -26.125  -7.097
  176    HA   ALA  29           HA       ALA  29  43.829 -26.484  -9.881
  177    HB1  ALA  29           HB1      ALA  29  45.992 -28.113  -8.528
  178    HB2  ALA  29           HB2      ALA  29  46.296 -26.823  -9.692
  179    HB3  ALA  29           HB3      ALA  29  45.430 -28.275 -10.193
  180    H    LEU  30           HN       LEU  30  42.814 -26.775  -6.926
  181    HA   LEU  30           HA       LEU  30  41.361 -29.262  -7.468
  182    HB2  LEU  30           HB2      LEU  30  41.694 -29.846  -4.982
  183    HB3  LEU  30           HB1      LEU  30  43.040 -30.152  -6.079
  184    HG   LEU  30           HG       LEU  30  43.024 -27.433  -4.960
  185   HD11  LEU  30          HD11      LEU  30  42.164 -28.596  -2.994
  186   HD12  LEU  30          HD12      LEU  30  43.863 -28.198  -2.735
  187   HD13  LEU  30          HD13      LEU  30  43.397 -29.845  -3.159
  188   HD21  LEU  30          HD21      LEU  30  45.408 -27.973  -4.647
  189   HD22  LEU  30          HD22      LEU  30  44.883 -28.422  -6.270
  190   HD23  LEU  30          HD23      LEU  30  45.083 -29.664  -5.034
  191    H    ILE  31           HN       ILE  31  41.732 -26.317  -5.559
  192    HA   ILE  31           HA       ILE  31  39.112 -26.497  -4.387
  193    HB   ILE  31           HB       ILE  31  40.666 -23.938  -4.584
  194   HG12  ILE  31          HG12      ILE  31  41.289 -26.392  -2.936
  195   HG13  ILE  31          HG11      ILE  31  42.393 -25.428  -3.918
  196   HG21  ILE  31          HG21      ILE  31  39.485 -23.358  -2.674
  197   HG22  ILE  31          HG22      ILE  31  39.290 -25.035  -2.161
  198   HG23  ILE  31          HG23      ILE  31  38.305 -24.396  -3.477
  199   HD11  ILE  31          HD11      ILE  31  42.897 -24.613  -1.803
  200   HD12  ILE  31          HD12      ILE  31  41.247 -24.828  -1.217
  201   HD13  ILE  31          HD13      ILE  31  41.631 -23.485  -2.293
  202    HA   PRO  32           HA       PRO  32  38.063 -23.292  -7.754
  203    HB2  PRO  32           HB2      PRO  32  39.633 -23.386 -10.046
  204    HB3  PRO  32           HB1      PRO  32  39.803 -22.218  -8.728
  205    HG2  PRO  32           HG2      PRO  32  41.544 -24.385  -9.469
  206    HG3  PRO  32           HG1      PRO  32  41.807 -23.094  -8.292
  207    HD2  PRO  32           HD2      PRO  32  41.112 -25.868  -7.804
  208    HD3  PRO  32           HD1      PRO  32  41.528 -24.608  -6.626
  209    H    ALA  33           HN       ALA  33  39.149 -26.489  -8.531
  210    HA   ALA  33           HA       ALA  33  37.715 -26.909 -10.926
  211    HB1  ALA  33           HB1      ALA  33  39.186 -28.632 -10.635
  212    HB2  ALA  33           HB2      ALA  33  37.784 -29.388  -9.879
  213    HB3  ALA  33           HB3      ALA  33  39.016 -28.619  -8.879
  214    H    ILE  34           HN       ILE  34  36.918 -28.051  -7.634
  215    HA   ILE  34           HA       ILE  34  34.281 -28.825  -8.252
  216    HB   ILE  34           HB       ILE  34  35.722 -28.171  -5.700
  217   HG12  ILE  34          HG12      ILE  34  34.268 -30.670  -6.607
  218   HG13  ILE  34          HG11      ILE  34  35.966 -30.365  -6.970
  219   HG21  ILE  34          HG21      ILE  34  32.762 -28.550  -6.132
  220   HG22  ILE  34          HG22      ILE  34  33.586 -27.374  -5.109
  221   HG23  ILE  34          HG23      ILE  34  33.519 -29.068  -4.626
  222   HD11  ILE  34          HD11      ILE  34  35.077 -31.620  -4.704
  223   HD12  ILE  34          HD12      ILE  34  35.234 -29.956  -4.145
  224   HD13  ILE  34          HD13      ILE  34  36.626 -30.788  -4.837
  225    H    TYR  35           HN       TYR  35  35.548 -25.835  -6.788
  226    HA   TYR  35           HA       TYR  35  33.271 -24.448  -6.234
  227    HB2  TYR  35           HB2      TYR  35  35.995 -23.776  -6.843
  228    HB3  TYR  35           HB1      TYR  35  34.928 -22.609  -7.618
  229    HD1  TYR  35           HD1      TYR  35  32.760 -22.056  -5.997
  230    HD2  TYR  35           HD2      TYR  35  36.706 -23.162  -4.708
  231    HE1  TYR  35           HE1      TYR  35  32.351 -20.967  -3.806
  232    HE2  TYR  35           HE2      TYR  35  36.298 -22.075  -2.521
  233    HH   TYR  35           HH       TYR  35  34.495 -19.985  -1.815
  234    H    MET  36           HN       MET  36  34.791 -24.782  -9.426
  235    HA   MET  36           HA       MET  36  32.817 -23.259 -10.805
  236    HB2  MET  36           HB2      MET  36  35.102 -25.017 -11.567
  237    HB3  MET  36           HB1      MET  36  33.874 -24.684 -12.788
  238    HG2  MET  36           HG2      MET  36  35.873 -23.055 -12.644
  239    HG3  MET  36           HG1      MET  36  34.258 -22.353 -12.709
  240    HE1  MET  36           HE1      MET  36  34.658 -20.079 -11.635
  241    HE2  MET  36           HE2      MET  36  34.163 -20.063  -9.944
  242    HE3  MET  36           HE3      MET  36  33.218 -20.971 -11.122
  243    H    LEU  37           HN       LEU  37  33.517 -26.758 -10.807
  244    HA   LEU  37           HA       LEU  37  31.376 -27.672 -12.264
  245    HB2  LEU  37           HB2      LEU  37  33.292 -29.014 -11.230
  246    HB3  LEU  37           HB1      LEU  37  32.318 -29.068  -9.760
  247    HG   LEU  37           HG       LEU  37  30.462 -29.788 -11.624
  248   HD11  LEU  37          HD11      LEU  37  32.252 -29.778 -13.385
  249   HD12  LEU  37          HD12      LEU  37  31.478 -31.351 -13.183
  250   HD13  LEU  37          HD13      LEU  37  33.075 -31.059 -12.493
  251   HD21  LEU  37          HD21      LEU  37  30.898 -30.960  -9.521
  252   HD22  LEU  37          HD22      LEU  37  32.428 -31.572 -10.150
  253   HD23  LEU  37          HD23      LEU  37  30.904 -32.122 -10.848
  254    H    VAL  38           HN       VAL  38  31.435 -26.667  -8.888
  255    HA   VAL  38           HA       VAL  38  28.693 -27.475  -8.422
  256    HB   VAL  38           HB       VAL  38  30.801 -26.082  -6.798
  257   HG11  VAL  38          HG11      VAL  38  27.825 -26.172  -6.339
  258   HG12  VAL  38          HG12      VAL  38  28.937 -24.822  -6.117
  259   HG13  VAL  38          HG13      VAL  38  28.939 -26.163  -4.971
  260   HG21  VAL  38          HG21      VAL  38  30.595 -28.621  -7.055
  261   HG22  VAL  38          HG22      VAL  38  29.076 -28.489  -6.167
  262   HG23  VAL  38          HG23      VAL  38  30.591 -28.011  -5.400
  263    H    PHE  39           HN       PHE  39  30.422 -24.547  -9.281
  264    HA   PHE  39           HA       PHE  39  28.292 -22.732  -8.719
  265    HB2  PHE  39           HB2      PHE  39  30.625 -21.984  -8.916
  266    HB3  PHE  39           HB1      PHE  39  30.631 -22.443 -10.618
  267    HD1  PHE  39           HD1      PHE  39  29.042 -21.298 -12.216
  268    HD2  PHE  39           HD2      PHE  39  29.672 -19.923  -8.196
  269    HE1  PHE  39           HE1      PHE  39  28.058 -19.102 -12.813
  270    HE2  PHE  39           HE2      PHE  39  28.690 -17.726  -8.793
  271    HZ   PHE  39           HZ       PHE  39  27.883 -17.315 -11.102
  272    H    LEU  40           HN       LEU  40  29.576 -23.888 -11.850
  273    HA   LEU  40           HA       LEU  40  27.439 -22.870 -13.385
  274    HB2  LEU  40           HB2      LEU  40  28.269 -24.374 -15.165
  275    HB3  LEU  40           HB1      LEU  40  29.574 -23.464 -14.405
  276    HG   LEU  40           HG       LEU  40  29.439 -25.719 -12.823
  277   HD11  LEU  40          HD11      LEU  40  28.997 -26.537 -15.713
  278   HD12  LEU  40          HD12      LEU  40  27.843 -26.765 -14.399
  279   HD13  LEU  40          HD13      LEU  40  29.380 -27.629 -14.382
  280   HD21  LEU  40          HD21      LEU  40  31.528 -24.823 -13.549
  281   HD22  LEU  40          HD22      LEU  40  31.108 -25.025 -15.250
  282   HD23  LEU  40          HD23      LEU  40  31.452 -26.437 -14.253
  283    H    LEU  41           HN       LEU  41  27.285 -25.168 -11.065
  284    HA   LEU  41           HA       LEU  41  25.378 -26.911 -12.448
  285    HB2  LEU  41           HB2      LEU  41  27.118 -27.146 -10.129
  286    HB3  LEU  41           HB1      LEU  41  25.471 -27.663  -9.767
  287    HG   LEU  41           HG       LEU  41  26.995 -28.596 -12.212
  288   HD11  LEU  41          HD11      LEU  41  26.725 -30.730 -10.424
  289   HD12  LEU  41          HD12      LEU  41  27.257 -29.380  -9.421
  290   HD13  LEU  41          HD13      LEU  41  28.217 -29.877 -10.815
  291   HD21  LEU  41          HD21      LEU  41  24.942 -30.337 -11.117
  292   HD22  LEU  41          HD22      LEU  41  25.079 -29.668 -12.742
  293   HD23  LEU  41          HD23      LEU  41  24.286 -28.739 -11.470
  294    H    GLY  42           HN       GLY  42  25.385 -25.400  -9.215
  295    HA2  GLY  42           HA2      GLY  42  22.481 -25.132  -9.340
  296    HA3  GLY  42           HA1      GLY  42  23.497 -24.846  -7.931
  297    H    THR  43           HN       THR  43  24.823 -23.365 -10.632
  298    HA   THR  43           HA       THR  43  23.441 -20.808 -10.083
  299    HB   THR  43           HB       THR  43  26.294 -20.625 -10.806
  300    HG1  THR  43           HG1      THR  43  26.157 -20.996  -8.172
  301   HG21  THR  43          HG21      THR  43  24.599 -19.380  -8.624
  302   HG22  THR  43          HG22      THR  43  24.853 -18.693 -10.228
  303   HG23  THR  43          HG23      THR  43  26.211 -18.854  -9.113
  304    H    THR  44           HN       THR  44  22.976 -22.708 -12.205
  305    HA   THR  44           HA       THR  44  23.606 -20.959 -14.491
  306    HB   THR  44           HB       THR  44  24.049 -23.939 -14.317
  307    HG1  THR  44           HG1      THR  44  25.557 -21.643 -14.607
  308   HG21  THR  44          HG21      THR  44  23.493 -22.182 -16.688
  309   HG22  THR  44          HG22      THR  44  22.918 -23.816 -16.355
  310   HG23  THR  44          HG23      THR  44  24.589 -23.554 -16.852
  311    H    GLY  45           HN       GLY  45  21.770 -23.838 -13.465
  312    HA2  GLY  45           HA2      GLY  45  19.564 -23.018 -15.236
  313    HA3  GLY  45           HA1      GLY  45  19.776 -24.620 -14.537
  314    H    ASN  46           HN       ASN  46  20.545 -22.877 -12.009
  315    HA   ASN  46           HA       ASN  46  17.929 -23.098 -10.800
  316    HB2  ASN  46           HB2      ASN  46  19.194 -23.409  -8.983
  317    HB3  ASN  46           HB1      ASN  46  20.643 -22.999  -9.900
  318   HD21  ASN  46          HD21      ASN  46  21.366 -20.734  -9.859
  319   HD22  ASN  46          HD22      ASN  46  20.805 -19.668  -8.663
  320    H    GLY  47           HN       GLY  47  20.253 -20.426 -11.273
  321    HA2  GLY  47           HA2      GLY  47  18.603 -18.351 -10.373
  322    HA3  GLY  47           HA1      GLY  47  19.935 -18.160 -11.511
  323    H    LEU  48           HN       LEU  48  19.122 -19.560 -13.689
  324    HA   LEU  48           HA       LEU  48  17.430 -17.808 -15.037
  325    HB2  LEU  48           HB2      LEU  48  18.983 -19.455 -16.108
  326    HB3  LEU  48           HB1      LEU  48  17.852 -20.736 -15.681
  327    HG   LEU  48           HG       LEU  48  16.074 -19.563 -16.982
  328   HD11  LEU  48          HD11      LEU  48  17.237 -17.863 -18.694
  329   HD12  LEU  48          HD12      LEU  48  18.297 -17.593 -17.311
  330   HD13  LEU  48          HD13      LEU  48  16.562 -17.316 -17.160
  331   HD21  LEU  48          HD21      LEU  48  16.780 -21.009 -18.557
  332   HD22  LEU  48          HD22      LEU  48  18.447 -20.870 -18.000
  333   HD23  LEU  48          HD23      LEU  48  17.817 -19.730 -19.190
  334    H    VAL  49           HN       VAL  49  16.664 -21.024 -13.699
  335    HA   VAL  49           HA       VAL  49  13.935 -21.038 -14.348
  336    HB   VAL  49           HB       VAL  49  15.569 -22.413 -12.231
  337   HG11  VAL  49          HG11      VAL  49  13.351 -23.781 -11.957
  338   HG12  VAL  49          HG12      VAL  49  12.578 -22.305 -12.535
  339   HG13  VAL  49          HG13      VAL  49  13.545 -22.274 -11.061
  340   HG21  VAL  49          HG21      VAL  49  14.983 -24.388 -13.572
  341   HG22  VAL  49          HG22      VAL  49  15.705 -23.151 -14.601
  342   HG23  VAL  49          HG23      VAL  49  13.958 -23.396 -14.609
  343    H    LEU  50           HN       LEU  50  15.208 -20.607 -11.045
  344    HA   LEU  50           HA       LEU  50  12.963 -19.612  -9.833
  345    HB2  LEU  50           HB2      LEU  50  15.805 -18.676  -9.363
  346    HB3  LEU  50           HB1      LEU  50  14.462 -18.483  -8.238
  347    HG   LEU  50           HG       LEU  50  15.507 -21.144  -9.257
  348   HD11  LEU  50          HD11      LEU  50  15.741 -20.027  -6.459
  349   HD12  LEU  50          HD12      LEU  50  16.999 -19.786  -7.671
  350   HD13  LEU  50          HD13      LEU  50  16.577 -21.418  -7.152
  351   HD21  LEU  50          HD21      LEU  50  14.087 -21.792  -7.099
  352   HD22  LEU  50          HD22      LEU  50  13.313 -21.620  -8.672
  353   HD23  LEU  50          HD23      LEU  50  13.227 -20.307  -7.500
  354    H    TRP  51           HN       TRP  51  15.096 -17.973 -12.056
  355    HA   TRP  51           HA       TRP  51  14.042 -15.338 -11.528
  356    HB2  TRP  51           HB2      TRP  51  16.308 -15.513 -12.342
  357    HB3  TRP  51           HB1      TRP  51  15.778 -16.432 -13.752
  358    HD1  TRP  51           HD1      TRP  51  15.806 -12.914 -12.290
  359    HE1  TRP  51           HE1      TRP  51  15.199 -11.234 -14.149
  360    HE3  TRP  51           HE3      TRP  51  14.492 -16.151 -16.014
  361    HZ2  TRP  51           HZ2      TRP  51  14.277 -11.258 -16.856
  362    HZ3  TRP  51           HZ3      TRP  51  13.754 -15.297 -18.221
  363    HH2  TRP  51           HH2      TRP  51  13.645 -12.856 -18.645
  364    H    THR  52           HN       THR  52  13.641 -17.801 -14.056
  365    HA   THR  52           HA       THR  52  11.805 -16.275 -15.617
  366    HB   THR  52           HB       THR  52  12.331 -19.254 -15.502
  367    HG1  THR  52           HG1      THR  52  13.404 -18.696 -17.502
  368   HG21  THR  52          HG21      THR  52  10.178 -19.059 -16.452
  369   HG22  THR  52          HG22      THR  52  11.257 -19.090 -17.847
  370   HG23  THR  52          HG23      THR  52  10.587 -17.558 -17.283
  371    H    VAL  53           HN       VAL  53  11.329 -19.069 -13.445
  372    HA   VAL  53           HA       VAL  53   8.580 -19.237 -13.490
  373    HB   VAL  53           HB       VAL  53  10.603 -19.755 -11.329
  374   HG11  VAL  53          HG11      VAL  53   7.598 -19.757 -11.119
  375   HG12  VAL  53          HG12      VAL  53   8.786 -19.151  -9.965
  376   HG13  VAL  53          HG13      VAL  53   8.559 -20.888 -10.168
  377   HG21  VAL  53          HG21      VAL  53   9.983 -21.201 -13.476
  378   HG22  VAL  53          HG22      VAL  53   8.646 -21.724 -12.452
  379   HG23  VAL  53          HG23      VAL  53  10.310 -21.977 -11.927
  380    H    PHE  54           HN       PHE  54  10.572 -17.187 -11.363
  381    HA   PHE  54           HA       PHE  54   8.541 -15.987  -9.889
  382    HB2  PHE  54           HB2      PHE  54  11.312 -15.237 -10.666
  383    HB3  PHE  54           HB1      PHE  54  10.273 -13.942 -10.073
  384    HD1  PHE  54           HD2      PHE  54  10.373 -17.570  -9.157
  385    HD2  PHE  54           HD1      PHE  54  10.952 -13.514  -7.864
  386    HE1  PHE  54           HE2      PHE  54  10.712 -18.359  -6.831
  387    HE2  PHE  54           HE1      PHE  54  11.292 -14.304  -5.538
  388    HZ   PHE  54           HZ       PHE  54  11.172 -16.727  -5.021
  389    H    ARG  55           HN       ARG  55  10.049 -14.799 -12.896
  390    HA   ARG  55           HA       ARG  55   8.237 -12.627 -13.226
  391    HB2  ARG  55           HB2      ARG  55  10.359 -13.935 -14.837
  392    HB3  ARG  55           HB1      ARG  55   9.142 -13.023 -15.732
  393    HG2  ARG  55           HG2      ARG  55   9.686 -11.004 -14.673
  394    HG3  ARG  55           HG1      ARG  55  10.434 -11.816 -13.297
  395    HD2  ARG  55           HD2      ARG  55  11.872 -10.709 -15.294
  396    HD3  ARG  55           HD1      ARG  55  12.430 -12.101 -14.374
  397    HE   ARG  55           HE       ARG  55  12.071 -13.437 -16.253
  398   HH11  ARG  55          HH21      ARG  55  10.644 -10.305 -16.615
  399   HH12  ARG  55          HH22      ARG  55  10.299 -10.504 -18.300
  400   HH21  ARG  55          HH11      ARG  55  11.626 -13.703 -18.465
  401   HH22  ARG  55          HH12      ARG  55  10.855 -12.429 -19.348
  402    H    LYS  56           HN       LYS  56   8.053 -15.995 -13.858
  403    HA   LYS  56           HA       LYS  56   6.051 -15.877 -15.919
  404    HB2  LYS  56           HB2      LYS  56   7.691 -17.803 -15.389
  405    HB3  LYS  56           HB1      LYS  56   6.551 -18.235 -14.114
  406    HG2  LYS  56           HG2      LYS  56   5.542 -19.432 -15.768
  407    HG3  LYS  56           HG1      LYS  56   4.849 -17.870 -16.206
  408    HD2  LYS  56           HD2      LYS  56   6.774 -17.481 -17.739
  409    HD3  LYS  56           HD1      LYS  56   7.375 -19.094 -17.353
  410    HE2  LYS  56           HE2      LYS  56   4.707 -18.437 -18.639
  411    HE3  LYS  56           HE1      LYS  56   6.096 -19.176 -19.436
  412    HZ1  LYS  56           HZ1      LYS  56   4.853 -21.002 -18.882
  413    HZ2  LYS  56           HZ2      LYS  56   4.271 -20.321 -17.438
  414    HZ3  LYS  56           HZ3      LYS  56   5.867 -20.897 -17.527
  415    H    LYS  57           HN       LYS  57   6.011 -16.776 -12.468
  416    HA   LYS  57           HA       LYS  57   3.162 -16.931 -12.338
  417    HB2  LYS  57           HB2      LYS  57   3.442 -17.510 -10.119
  418    HB3  LYS  57           HB1      LYS  57   4.993 -17.996 -10.801
  419    HG2  LYS  57           HG2      LYS  57   5.760 -15.585 -10.205
  420    HG3  LYS  57           HG1      LYS  57   4.348 -15.568  -9.144
  421    HD2  LYS  57           HD2      LYS  57   5.186 -17.778  -8.208
  422    HD3  LYS  57           HD1      LYS  57   6.690 -17.471  -9.075
  423    HE2  LYS  57           HE2      LYS  57   6.189 -15.064  -7.776
  424    HE3  LYS  57           HE1      LYS  57   5.710 -16.280  -6.591
  425    HZ1  LYS  57           HZ1      LYS  57   7.865 -16.469  -6.149
  426    HZ2  LYS  57           HZ2      LYS  57   8.320 -15.578  -7.523
  427    HZ3  LYS  57           HZ3      LYS  57   8.029 -17.247  -7.648
  428    H    GLY  58           HN       GLY  58   5.428 -14.367 -12.212
  429    HA2  GLY  58           HA2      GLY  58   3.809 -12.546 -10.666
  430    HA3  GLY  58           HA1      GLY  58   5.276 -12.148 -11.556
  431    H    HIS  59           HN       HIS  59   4.267 -13.328 -14.053
  432    HA   HIS  59           HA       HIS  59   3.262 -11.101 -15.333
  433    HB2  HIS  59           HB2      HIS  59   3.719 -12.531 -17.006
  434    HB3  HIS  59           HB1      HIS  59   3.546 -13.932 -15.948
  435    HD2  HIS  59           HD2      HIS  59   0.787 -14.869 -15.702
  436    HE1  HIS  59           HE1      HIS  59  -0.522 -12.834 -19.161
  437    HE2  HIS  59           HE2      HIS  59  -1.136 -14.606 -17.448
  438    H    HIS  60           HN       HIS  60   1.517 -13.619 -13.600
  439    HA   HIS  60           HA       HIS  60  -1.093 -12.836 -14.435
  440    HB2  HIS  60           HB2      HIS  60  -0.542 -15.070 -13.479
  441    HB3  HIS  60           HB1      HIS  60  -0.289 -14.300 -11.912
  442    HD2  HIS  60           HD2      HIS  60  -3.338 -14.355 -14.500
  443    HE1  HIS  60           HE1      HIS  60  -4.836 -14.377 -10.553
  444    HE2  HIS  60           HE2      HIS  60  -5.481 -14.425 -13.009
  445    H    HIS  61           HN       HIS  61  -1.315 -13.014 -11.154
  446    HA   HIS  61           HA       HIS  61  -0.801 -10.252 -10.488
  447    HB2  HIS  61           HB2      HIS  61  -2.872  -9.877 -11.642
  448    HB3  HIS  61           HB1      HIS  61  -3.635 -11.244 -10.832
  449    HD2  HIS  61           HD2      HIS  61  -1.536  -8.653  -8.741
  450    HE1  HIS  61           HE1      HIS  61  -5.603  -8.196  -7.711
  451    HE2  HIS  61           HE2      HIS  61  -3.235  -7.483  -7.140
  452    H    HIS  62           HN       HIS  62  -2.140 -13.392  -9.695
  453    HA   HIS  62           HA       HIS  62  -0.975 -13.377  -7.094
  454    HB2  HIS  62           HB2      HIS  62  -3.106 -11.898  -6.904
  455    HB3  HIS  62           HB1      HIS  62  -3.978 -13.428  -7.005
  456    HD2  HIS  62           HD2      HIS  62  -1.686 -11.498  -4.483
  457    HE1  HIS  62           HE1      HIS  62  -2.897 -15.097  -2.638
  458    HE2  HIS  62           HE2      HIS  62  -1.717 -12.879  -2.267
  459    H    HIS  63           HN       HIS  63  -0.862 -15.425  -6.256
  460    HA   HIS  63           HA       HIS  63  -0.724 -17.720  -6.474
  461    HB2  HIS  63           HB2      HIS  63  -2.871 -18.804  -6.221
  462    HB3  HIS  63           HB1      HIS  63  -2.885 -17.304  -5.294
  463    HD2  HIS  63           HD2      HIS  63  -4.808 -15.446  -6.111
  464    HE1  HIS  63           HE1      HIS  63  -6.141 -17.531  -9.531
  465    HE2  HIS  63           HE2      HIS  63  -6.574 -15.527  -8.032
  466    H    HIS  64           HN       HIS  64  -0.203 -16.364  -8.888
  467    HA   HIS  64           HA       HIS  64  -0.209 -16.607 -11.182
  468    HB2  HIS  64           HB2      HIS  64   0.407 -18.841 -11.888
  469    HB3  HIS  64           HB1      HIS  64   1.186 -18.502 -10.341
  470    HD2  HIS  64           HD2      HIS  64  -1.491 -20.924 -11.821
  471    HE1  HIS  64           HE1      HIS  64  -1.165 -21.758  -7.696
  472    HE2  HIS  64           HE2      HIS  64  -2.168 -22.546  -9.891
  Start of MODEL   25
    1    H1   MET   1           HT1      MET   1  13.526  -1.952  21.345
    2    H2   MET   1           HT2      MET   1  13.098  -0.632  22.326
    3    H3   MET   1           HT3      MET   1  13.902  -1.969  22.998
    4    HA   MET   1           HA       MET   1  15.082   0.319  22.136
    5    HB2  MET   1           HB2      MET   1  16.204  -2.478  22.473
    6    HB3  MET   1           HB1      MET   1  17.185  -1.013  22.399
    7    HG2  MET   1           HG2      MET   1  14.954  -0.882  24.323
    8    HG3  MET   1           HG1      MET   1  16.183  -2.086  24.715
    9    HE1  MET   1           HE1      MET   1  16.293  -0.550  26.910
   10    HE2  MET   1           HE2      MET   1  15.285   0.724  26.226
   11    HE3  MET   1           HE3      MET   1  16.853   1.129  26.921
   12    H    GLU   2           HN       GLU   2  15.209   1.130  20.134
   13    HA   GLU   2           HA       GLU   2  15.384  -0.651  17.824
   14    HB2  GLU   2           HB2      GLU   2  15.445   1.795  16.727
   15    HB3  GLU   2           HB1      GLU   2  13.940   1.020  17.223
   16    HG2  GLU   2           HG2      GLU   2  15.528   2.716  19.145
   17    HG3  GLU   2           HG1      GLU   2  14.366   3.440  18.036
   18    H    GLU   3           HN       GLU   3  17.515  -1.459  18.180
   19    HA   GLU   3           HA       GLU   3  19.839  -0.054  18.626
   20    HB2  GLU   3           HB2      GLU   3  20.908  -1.854  17.112
   21    HB3  GLU   3           HB1      GLU   3  20.042  -2.396  18.549
   22    HG2  GLU   3           HG2      GLU   3  18.149  -3.066  17.299
   23    HG3  GLU   3           HG1      GLU   3  18.651  -2.140  15.886
   24    H    GLY   4           HN       GLY   4  21.447   0.851  17.275
   25    HA2  GLY   4           HA2      GLY   4  20.879   1.326  14.468
   26    HA3  GLY   4           HA1      GLY   4  20.788   2.759  15.488
   27    H    GLY   5           HN       GLY   5  22.805   0.921  13.589
   28    HA2  GLY   5           HA2      GLY   5  25.024   2.232  13.374
   29    HA3  GLY   5           HA1      GLY   5  25.249   1.704  15.039
   30    H    ASP   6           HN       ASP   6  26.040  -0.298  15.430
   31    HA   ASP   6           HA       ASP   6  27.084  -2.302  15.003
   32    HB2  ASP   6           HB2      ASP   6  24.899  -2.514  12.918
   33    HB3  ASP   6           HB1      ASP   6  25.874  -3.850  13.527
   34    H    PHE   7           HN       PHE   7  28.288  -0.101  13.790
   35    HA   PHE   7           HA       PHE   7  29.008  -1.017  11.087
   36    HB2  PHE   7           HB2      PHE   7  28.363   1.350  11.334
   37    HB3  PHE   7           HB1      PHE   7  29.663   1.577  12.505
   38    HD1  PHE   7           HD1      PHE   7  28.893   0.821   8.960
   39    HD2  PHE   7           HD2      PHE   7  31.964   1.746  11.817
   40    HE1  PHE   7           HE1      PHE   7  30.497   1.211   7.109
   41    HE2  PHE   7           HE2      PHE   7  33.568   2.136   9.966
   42    HZ   PHE   7           HZ       PHE   7  32.835   1.869   7.612
   43    H    ASP   8           HN       ASP   8  30.743  -2.269  10.899
   44    HA   ASP   8           HA       ASP   8  33.133  -1.670  12.483
   45    HB2  ASP   8           HB2      ASP   8  31.565  -3.542  13.512
   46    HB3  ASP   8           HB1      ASP   8  32.337  -4.542  12.283
   47    H    ASN   9           HN       ASN   9  31.974  -1.813   9.583
   48    HA   ASN   9           HA       ASN   9  33.302  -3.736   8.083
   49    HB2  ASN   9           HB2      ASN   9  32.890  -0.855   7.258
   50    HB3  ASN   9           HB1      ASN   9  33.053  -2.253   6.197
   51   HD21  ASN   9          HD21      ASN   9  31.200  -3.636   5.919
   52   HD22  ASN   9          HD22      ASN   9  29.675  -3.247   6.554
   53    H    TYR  10           HN       TYR  10  35.201  -3.422   6.656
   54    HA   TYR  10           HA       TYR  10  37.453  -3.111   6.383
   55    HB2  TYR  10           HB2      TYR  10  36.445  -0.699   6.357
   56    HB3  TYR  10           HB1      TYR  10  37.265  -0.545   7.911
   57    HD1  TYR  10           HD2      TYR  10  37.813  -1.483   4.338
   58    HD2  TYR  10           HD1      TYR  10  39.600  -0.181   8.020
   59    HE1  TYR  10           HE2      TYR  10  39.971  -1.130   3.166
   60    HE2  TYR  10           HE1      TYR  10  41.758   0.172   6.848
   61    HH   TYR  10           HH       TYR  10  42.031  -0.253   3.335
   62    H    TYR  11           HN       TYR  11  39.319  -3.668   7.415
   63    HA   TYR  11           HA       TYR  11  40.503  -4.694   9.120
   64    HB2  TYR  11           HB2      TYR  11  40.709  -2.071   9.345
   65    HB3  TYR  11           HB1      TYR  11  39.814  -2.347  10.840
   66    HD1  TYR  11           HD2      TYR  11  42.832  -3.457   8.938
   67    HD2  TYR  11           HD1      TYR  11  40.902  -3.173  12.765
   68    HE1  TYR  11           HE2      TYR  11  44.914  -4.225  10.045
   69    HE2  TYR  11           HE1      TYR  11  42.984  -3.941  13.872
   70    HH   TYR  11           HH       TYR  11  45.166  -5.505  12.800
   71    H    GLY  12           HN       GLY  12  37.846  -5.603   9.046
   72    HA2  GLY  12           HA2      GLY  12  37.593  -6.716  11.658
   73    HA3  GLY  12           HA1      GLY  12  36.364  -5.484  11.387
   74    H    ALA  13           HN       ALA  13  36.232  -6.044   8.500
   75    HA   ALA  13           HA       ALA  13  34.566  -8.468   8.661
   76    HB1  ALA  13           HB1      ALA  13  34.452  -5.950   7.099
   77    HB2  ALA  13           HB2      ALA  13  33.143  -6.928   7.760
   78    HB3  ALA  13           HB3      ALA  13  33.936  -7.415   6.262
   79    H    ASP  14           HN       ASP  14  37.431  -7.169   7.252
   80    HA   ASP  14           HA       ASP  14  37.642  -9.472   5.411
   81    HB2  ASP  14           HB2      ASP  14  39.281  -8.171   4.182
   82    HB3  ASP  14           HB1      ASP  14  37.816  -7.212   4.385
   83    H    ASN  15           HN       ASN  15  38.825  -8.118   8.308
   84    HA   ASN  15           HA       ASN  15  41.487  -8.956   8.372
   85    HB2  ASN  15           HB2      ASN  15  41.046  -7.729  10.241
   86    HB3  ASN  15           HB1      ASN  15  39.402  -8.346  10.386
   87   HD21  ASN  15          HD21      ASN  15  42.623  -8.682  11.578
   88   HD22  ASN  15          HD22      ASN  15  42.360 -10.069  12.519
   89    H    GLN  16           HN       GLN  16  38.548 -10.788   8.537
   90    HA   GLN  16           HA       GLN  16  39.765 -13.156   9.666
   91    HB2  GLN  16           HB2      GLN  16  37.606 -14.209   9.237
   92    HB3  GLN  16           HB1      GLN  16  37.363 -12.633   9.991
   93    HG2  GLN  16           HG2      GLN  16  36.000 -12.140   8.265
   94    HG3  GLN  16           HG1      GLN  16  37.445 -12.071   7.260
   95   HE21  GLN  16          HE21      GLN  16  38.117 -14.859   7.240
   96   HE22  GLN  16          HE22      GLN  16  36.895 -15.692   6.407
   97    H    SER  17           HN       SER  17  39.340 -11.780   6.522
   98    HA   SER  17           HA       SER  17  39.726 -14.275   5.096
   99    HB2  SER  17           HB2      SER  17  38.583 -12.968   3.643
  100    HB3  SER  17           HB1      SER  17  39.113 -11.479   4.420
  101    HG   SER  17           HG       SER  17  39.998 -11.716   2.324
  102    H    GLU  18           HN       GLU  18  41.599 -11.263   5.509
  103    HA   GLU  18           HA       GLU  18  43.895 -11.895   4.154
  104    HB2  GLU  18           HB2      GLU  18  44.963 -10.227   5.376
  105    HB3  GLU  18           HB1      GLU  18  43.265  -9.795   5.585
  106    HG2  GLU  18           HG2      GLU  18  43.379 -11.326   7.691
  107    HG3  GLU  18           HG1      GLU  18  45.123 -11.126   7.544
  108    H    CYS  19           HN       CYS  19  42.715 -13.297   7.100
  109    HA   CYS  19           HA       CYS  19  45.208 -14.441   7.949
  110    HB2  CYS  19           HB2      CYS  19  42.383 -15.256   8.672
  111    HB3  CYS  19           HB1      CYS  19  43.855 -15.688   9.544
  112    HG   CYS  19           HG       CYS  19  42.423 -12.983   9.694
  113    H    GLU  20           HN       GLU  20  42.535 -15.454   5.908
  114    HA   GLU  20           HA       GLU  20  43.714 -18.124   5.590
  115    HB2  GLU  20           HB2      GLU  20  41.196 -17.149   4.258
  116    HB3  GLU  20           HB1      GLU  20  41.661 -18.802   4.665
  117    HG2  GLU  20           HG2      GLU  20  41.691 -17.840   7.132
  118    HG3  GLU  20           HG1      GLU  20  40.597 -16.641   6.444
  119    H    TYR  21           HN       TYR  21  43.710 -15.072   4.114
  120    HA   TYR  21           HA       TYR  21  43.801 -15.650   1.385
  121    HB2  TYR  21           HB2      TYR  21  43.714 -13.361   2.152
  122    HB3  TYR  21           HB1      TYR  21  45.267 -13.533   2.972
  123    HD1  TYR  21           HD1      TYR  21  47.360 -13.811   1.660
  124    HD2  TYR  21           HD2      TYR  21  43.583 -13.036  -0.232
  125    HE1  TYR  21           HE1      TYR  21  48.536 -13.184  -0.431
  126    HE2  TYR  21           HE2      TYR  21  44.758 -12.410  -2.324
  127    HH   TYR  21           HH       TYR  21  47.967 -11.676  -2.478
  128    H    THR  22           HN       THR  22  46.255 -15.987   3.876
  129    HA   THR  22           HA       THR  22  48.418 -16.494   2.054
  130    HB   THR  22           HB       THR  22  49.561 -17.324   4.161
  131    HG1  THR  22           HG1      THR  22  47.665 -16.176   5.738
  132   HG21  THR  22          HG21      THR  22  48.561 -14.645   3.527
  133   HG22  THR  22          HG22      THR  22  50.181 -15.156   4.001
  134   HG23  THR  22          HG23      THR  22  48.958 -14.847   5.232
  135    H    ASP  23           HN       ASP  23  45.805 -18.332   3.257
  136    HA   ASP  23           HA       ASP  23  47.164 -20.889   2.762
  137    HB2  ASP  23           HB2      ASP  23  45.955 -21.136   4.716
  138    HB3  ASP  23           HB1      ASP  23  44.663 -20.066   4.177
  139    H    TRP  24           HN       TRP  24  44.207 -19.148   1.791
  140    HA   TRP  24           HA       TRP  24  43.135 -20.842  -0.058
  141    HB2  TRP  24           HB2      TRP  24  41.865 -18.951   0.042
  142    HB3  TRP  24           HB1      TRP  24  43.267 -17.892   0.199
  143    HD1  TRP  24           HD1      TRP  24  41.297 -19.857  -2.452
  144    HE1  TRP  24           HE1      TRP  24  41.726 -18.777  -4.753
  145    HE3  TRP  24           HE3      TRP  24  44.820 -16.394  -1.158
  146    HZ2  TRP  24           HZ2      TRP  24  43.349 -16.716  -5.894
  147    HZ3  TRP  24           HZ3      TRP  24  45.790 -14.887  -2.870
  148    HH2  TRP  24           HH2      TRP  24  45.060 -15.043  -5.234
  149    H    LYS  25           HN       LYS  25  45.698 -18.452  -0.732
  150    HA   LYS  25           HA       LYS  25  46.143 -18.925  -3.399
  151    HB2  LYS  25           HB2      LYS  25  47.333 -17.254  -1.918
  152    HB3  LYS  25           HB1      LYS  25  48.373 -18.577  -1.389
  153    HG2  LYS  25           HG2      LYS  25  49.072 -18.983  -3.706
  154    HG3  LYS  25           HG1      LYS  25  47.997 -17.702  -4.269
  155    HD2  LYS  25           HD2      LYS  25  49.295 -16.175  -2.625
  156    HD3  LYS  25           HD1      LYS  25  50.508 -17.456  -2.618
  157    HE2  LYS  25           HE2      LYS  25  50.456 -17.323  -5.171
  158    HE3  LYS  25           HE1      LYS  25  49.540 -15.829  -4.976
  159    HZ1  LYS  25           HZ1      LYS  25  51.527 -15.357  -3.308
  160    HZ2  LYS  25           HZ2      LYS  25  51.609 -14.961  -4.958
  161    HZ3  LYS  25           HZ3      LYS  25  52.338 -16.385  -4.386
  162    H    SER  26           HN       SER  26  46.902 -20.984  -0.692
  163    HA   SER  26           HA       SER  26  48.457 -22.803  -2.394
  164    HB2  SER  26           HB2      SER  26  48.875 -22.057   0.172
  165    HB3  SER  26           HB1      SER  26  47.910 -23.508   0.429
  166    HG   SER  26           HG       SER  26  49.939 -24.259   0.231
  167    H    SER  27           HN       SER  27  45.573 -22.788  -0.313
  168    HA   SER  27           HA       SER  27  44.815 -25.459  -1.152
  169    HB2  SER  27           HB2      SER  27  43.258 -23.431   0.466
  170    HB3  SER  27           HB1      SER  27  42.888 -25.146   0.303
  171    HG   SER  27           HG       SER  27  44.166 -25.360   1.956
  172    H    GLY  28           HN       GLY  28  44.914 -22.864  -2.916
  173    HA2  GLY  28           HA2      GLY  28  42.165 -22.746  -3.877
  174    HA3  GLY  28           HA1      GLY  28  43.525 -21.797  -4.473
  175    H    ALA  29           HN       ALA  29  44.832 -24.714  -4.378
  176    HA   ALA  29           HA       ALA  29  44.265 -25.237  -7.203
  177    HB1  ALA  29           HB1      ALA  29  46.279 -26.419  -7.266
  178    HB2  ALA  29           HB2      ALA  29  46.233 -26.784  -5.542
  179    HB3  ALA  29           HB3      ALA  29  46.624 -25.154  -6.087
  180    H    LEU  30           HN       LEU  30  42.144 -25.796  -5.474
  181    HA   LEU  30           HA       LEU  30  41.554 -28.486  -6.177
  182    HB2  LEU  30           HB2      LEU  30  41.395 -29.433  -3.901
  183    HB3  LEU  30           HB1      LEU  30  43.055 -29.010  -4.318
  184    HG   LEU  30           HG       LEU  30  42.039 -26.667  -3.214
  185   HD11  LEU  30          HD11      LEU  30  40.064 -27.928  -2.417
  186   HD12  LEU  30          HD12      LEU  30  41.057 -27.374  -1.069
  187   HD13  LEU  30          HD13      LEU  30  41.131 -29.058  -1.583
  188   HD21  LEU  30          HD21      LEU  30  43.469 -27.387  -1.230
  189   HD22  LEU  30          HD22      LEU  30  44.274 -27.440  -2.799
  190   HD23  LEU  30          HD23      LEU  30  43.688 -28.930  -2.057
  191    H    ILE  31           HN       ILE  31  40.828 -25.588  -4.349
  192    HA   ILE  31           HA       ILE  31  38.151 -26.288  -3.680
  193    HB   ILE  31           HB       ILE  31  39.757 -23.766  -3.635
  194   HG12  ILE  31          HG12      ILE  31  37.963 -25.050  -1.566
  195   HG13  ILE  31          HG11      ILE  31  39.652 -25.511  -1.787
  196   HG21  ILE  31          HG21      ILE  31  37.746 -22.845  -4.502
  197   HG22  ILE  31          HG22      ILE  31  37.596 -22.668  -2.754
  198   HG23  ILE  31          HG23      ILE  31  36.742 -23.969  -3.583
  199   HD11  ILE  31          HD11      ILE  31  38.716 -22.681  -1.233
  200   HD12  ILE  31          HD12      ILE  31  40.386 -23.242  -1.310
  201   HD13  ILE  31          HD13      ILE  31  39.335 -23.783  -0.002
  202    HA   PRO  32           HA       PRO  32  37.213 -23.626  -7.690
  203    HB2  PRO  32           HB2      PRO  32  39.274 -24.791  -9.474
  204    HB3  PRO  32           HB1      PRO  32  38.723 -23.111  -9.332
  205    HG2  PRO  32           HG2      PRO  32  41.108 -23.903  -8.423
  206    HG3  PRO  32           HG1      PRO  32  40.160 -22.642  -7.615
  207    HD2  PRO  32           HD2      PRO  32  40.564 -25.499  -6.820
  208    HD3  PRO  32           HD1      PRO  32  40.407 -24.055  -5.799
  209    H    ALA  33           HN       ALA  33  38.341 -26.908  -7.442
  210    HA   ALA  33           HA       ALA  33  37.014 -28.073  -9.629
  211    HB1  ALA  33           HB1      ALA  33  37.111 -30.174  -8.241
  212    HB2  ALA  33           HB2      ALA  33  37.757 -29.198  -6.923
  213    HB3  ALA  33           HB3      ALA  33  38.659 -29.350  -8.431
  214    H    ILE  34           HN       ILE  34  35.988 -28.293  -6.217
  215    HA   ILE  34           HA       ILE  34  33.364 -29.125  -6.778
  216    HB   ILE  34           HB       ILE  34  34.690 -27.866  -4.395
  217   HG12  ILE  34          HG12      ILE  34  34.225 -30.039  -3.406
  218   HG13  ILE  34          HG11      ILE  34  33.240 -30.502  -4.795
  219   HG21  ILE  34          HG21      ILE  34  32.553 -26.909  -4.150
  220   HG22  ILE  34          HG22      ILE  34  32.413 -28.422  -3.256
  221   HG23  ILE  34          HG23      ILE  34  31.747 -28.295  -4.884
  222   HD11  ILE  34          HD11      ILE  34  35.636 -31.401  -4.770
  223   HD12  ILE  34          HD12      ILE  34  36.154 -29.741  -5.062
  224   HD13  ILE  34          HD13      ILE  34  35.137 -30.566  -6.242
  225    H    TYR  35           HN       TYR  35  34.834 -25.967  -6.702
  226    HA   TYR  35           HA       TYR  35  32.432 -24.438  -6.522
  227    HB2  TYR  35           HB2      TYR  35  35.153 -23.886  -6.491
  228    HB3  TYR  35           HB1      TYR  35  34.595 -23.155  -7.996
  229    HD1  TYR  35           HD1      TYR  35  33.936 -23.328  -4.330
  230    HD2  TYR  35           HD2      TYR  35  33.292 -21.172  -7.989
  231    HE1  TYR  35           HE1      TYR  35  32.930 -21.458  -3.050
  232    HE2  TYR  35           HE2      TYR  35  32.285 -19.302  -6.710
  233    HH   TYR  35           HH       TYR  35  31.247 -18.870  -4.597
  234    H    MET  36           HN       MET  36  34.499 -25.398  -9.259
  235    HA   MET  36           HA       MET  36  33.184 -24.163 -11.335
  236    HB2  MET  36           HB2      MET  36  34.916 -26.497 -11.042
  237    HB3  MET  36           HB1      MET  36  33.798 -26.638 -12.399
  238    HG2  MET  36           HG2      MET  36  35.529 -24.205 -11.892
  239    HG3  MET  36           HG1      MET  36  35.972 -25.514 -12.988
  240    HE1  MET  36           HE1      MET  36  35.507 -22.333 -13.304
  241    HE2  MET  36           HE2      MET  36  33.962 -22.278 -12.460
  242    HE3  MET  36           HE3      MET  36  34.041 -21.854 -14.169
  243    H    LEU  37           HN       LEU  37  32.575 -27.538 -10.341
  244    HA   LEU  37           HA       LEU  37  30.321 -28.000 -11.871
  245    HB2  LEU  37           HB2      LEU  37  31.569 -29.659 -10.408
  246    HB3  LEU  37           HB1      LEU  37  30.650 -29.018  -9.046
  247    HG   LEU  37           HG       LEU  37  28.664 -29.440 -10.885
  248   HD11  LEU  37          HD11      LEU  37  29.020 -31.487 -12.036
  249   HD12  LEU  37          HD12      LEU  37  30.476 -31.847 -11.108
  250   HD13  LEU  37          HD13      LEU  37  30.493 -30.558 -12.311
  251   HD21  LEU  37          HD21      LEU  37  28.149 -31.459  -9.535
  252   HD22  LEU  37          HD22      LEU  37  28.636 -30.105  -8.515
  253   HD23  LEU  37          HD23      LEU  37  29.776 -31.407  -8.857
  254    H    VAL  38           HN       VAL  38  30.567 -26.446  -8.701
  255    HA   VAL  38           HA       VAL  38  27.704 -26.088  -8.478
  256    HB   VAL  38           HB       VAL  38  30.010 -24.983  -6.859
  257   HG11  VAL  38          HG11      VAL  38  27.051 -24.573  -6.748
  258   HG12  VAL  38          HG12      VAL  38  28.354 -23.453  -6.349
  259   HG13  VAL  38          HG13      VAL  38  27.918 -24.737  -5.221
  260   HG21  VAL  38          HG21      VAL  38  29.488 -27.502  -6.864
  261   HG22  VAL  38          HG22      VAL  38  27.966 -27.072  -6.084
  262   HG23  VAL  38          HG23      VAL  38  29.497 -26.702  -5.292
  263    H    PHE  39           HN       PHE  39  30.084 -24.598 -10.264
  264    HA   PHE  39           HA       PHE  39  28.825 -21.942 -10.132
  265    HB2  PHE  39           HB2      PHE  39  31.325 -22.164  -9.954
  266    HB3  PHE  39           HB1      PHE  39  31.331 -22.750 -11.617
  267    HD1  PHE  39           HD2      PHE  39  29.913 -19.926  -9.587
  268    HD2  PHE  39           HD1      PHE  39  31.614 -21.183 -13.327
  269    HE1  PHE  39           HE2      PHE  39  29.846 -17.585 -10.406
  270    HE2  PHE  39           HE1      PHE  39  31.546 -18.845 -14.144
  271    HZ   PHE  39           HZ       PHE  39  30.662 -17.045 -12.685
  272    H    LEU  40           HN       LEU  40  29.317 -24.696 -12.237
  273    HA   LEU  40           HA       LEU  40  28.086 -23.265 -14.485
  274    HB2  LEU  40           HB2      LEU  40  28.666 -25.293 -15.794
  275    HB3  LEU  40           HB1      LEU  40  30.070 -24.545 -15.038
  276    HG   LEU  40           HG       LEU  40  29.249 -26.296 -13.082
  277   HD11  LEU  40          HD11      LEU  40  28.847 -27.632 -15.776
  278   HD12  LEU  40          HD12      LEU  40  27.571 -27.286 -14.610
  279   HD13  LEU  40          HD13      LEU  40  28.838 -28.447 -14.213
  280   HD21  LEU  40          HD21      LEU  40  31.545 -26.090 -13.687
  281   HD22  LEU  40          HD22      LEU  40  31.226 -26.567 -15.354
  282   HD23  LEU  40          HD23      LEU  40  31.123 -27.761 -14.060
  283    H    LEU  41           HN       LEU  41  27.269 -25.422 -11.962
  284    HA   LEU  41           HA       LEU  41  24.814 -26.254 -13.377
  285    HB2  LEU  41           HB2      LEU  41  24.873 -28.236 -12.256
  286    HB3  LEU  41           HB1      LEU  41  26.579 -27.850 -12.110
  287    HG   LEU  41           HG       LEU  41  25.936 -26.647  -9.906
  288   HD11  LEU  41          HD11      LEU  41  23.342 -27.519 -10.730
  289   HD12  LEU  41          HD12      LEU  41  23.784 -26.710  -9.230
  290   HD13  LEU  41          HD13      LEU  41  23.794 -28.470  -9.317
  291   HD21  LEU  41          HD21      LEU  41  27.140 -28.497  -9.375
  292   HD22  LEU  41          HD22      LEU  41  26.257 -29.516 -10.512
  293   HD23  LEU  41          HD23      LEU  41  25.575 -29.173  -8.923
  294    H    GLY  42           HN       GLY  42  26.068 -24.520 -10.623
  295    HA2  GLY  42           HA2      GLY  42  23.369 -24.083  -9.555
  296    HA3  GLY  42           HA1      GLY  42  24.879 -23.650  -8.762
  297    H    THR  43           HN       THR  43  25.291 -22.724 -11.870
  298    HA   THR  43           HA       THR  43  24.006 -20.091 -11.512
  299    HB   THR  43           HB       THR  43  26.647 -20.005 -12.793
  300    HG1  THR  43           HG1      THR  43  26.440 -20.489 -10.009
  301   HG21  THR  43          HG21      THR  43  25.237 -18.040 -12.168
  302   HG22  THR  43          HG22      THR  43  26.836 -18.000 -11.427
  303   HG23  THR  43          HG23      THR  43  25.435 -18.480 -10.473
  304    H    THR  44           HN       THR  44  23.445 -22.499 -13.188
  305    HA   THR  44           HA       THR  44  23.451 -21.117 -15.798
  306    HB   THR  44           HB       THR  44  23.953 -24.075 -15.398
  307    HG1  THR  44           HG1      THR  44  25.669 -21.948 -16.158
  308   HG21  THR  44          HG21      THR  44  23.796 -22.277 -17.824
  309   HG22  THR  44          HG22      THR  44  22.823 -23.707 -17.475
  310   HG23  THR  44          HG23      THR  44  24.534 -23.878 -17.866
  311    H    GLY  45           HN       GLY  45  22.080 -23.814 -13.917
  312    HA2  GLY  45           HA2      GLY  45  19.543 -23.494 -15.393
  313    HA3  GLY  45           HA1      GLY  45  20.024 -24.928 -14.490
  314    H    ASN  46           HN       ASN  46  20.988 -22.452 -12.609
  315    HA   ASN  46           HA       ASN  46  18.595 -22.653 -10.929
  316    HB2  ASN  46           HB2      ASN  46  21.465 -21.995 -10.474
  317    HB3  ASN  46           HB1      ASN  46  20.278 -21.269  -9.391
  318   HD21  ASN  46          HD21      ASN  46  21.544 -24.396 -10.551
  319   HD22  ASN  46          HD22      ASN  46  20.926 -25.307  -9.258
  320    H    GLY  47           HN       GLY  47  20.792 -20.127 -12.166
  321    HA2  GLY  47           HA2      GLY  47  19.243 -17.926 -11.310
  322    HA3  GLY  47           HA1      GLY  47  20.456 -17.889 -12.587
  323    H    LEU  48           HN       LEU  48  19.383 -19.637 -14.429
  324    HA   LEU  48           HA       LEU  48  17.580 -18.032 -15.843
  325    HB2  LEU  48           HB2      LEU  48  19.023 -19.830 -16.829
  326    HB3  LEU  48           HB1      LEU  48  17.938 -21.026 -16.125
  327    HG   LEU  48           HG       LEU  48  16.043 -20.006 -17.392
  328   HD11  LEU  48          HD11      LEU  48  16.523 -17.814 -17.924
  329   HD12  LEU  48          HD12      LEU  48  17.036 -18.579 -19.427
  330   HD13  LEU  48          HD13      LEU  48  18.231 -18.142 -18.208
  331   HD21  LEU  48          HD21      LEU  48  17.590 -20.503 -19.707
  332   HD22  LEU  48          HD22      LEU  48  16.569 -21.648 -18.838
  333   HD23  LEU  48          HD23      LEU  48  18.278 -21.505 -18.430
  334    H    VAL  49           HN       VAL  49  16.986 -20.954 -13.898
  335    HA   VAL  49           HA       VAL  49  14.205 -21.081 -14.307
  336    HB   VAL  49           HB       VAL  49  16.036 -22.099 -12.149
  337   HG11  VAL  49          HG11      VAL  49  13.865 -23.405 -11.473
  338   HG12  VAL  49          HG12      VAL  49  13.029 -22.037 -12.209
  339   HG13  VAL  49          HG13      VAL  49  14.118 -21.775 -10.847
  340   HG21  VAL  49          HG21      VAL  49  15.460 -24.249 -13.115
  341   HG22  VAL  49          HG22      VAL  49  15.915 -23.166 -14.431
  342   HG23  VAL  49          HG23      VAL  49  14.213 -23.511 -14.121
  343    H    LEU  50           HN       LEU  50  15.759 -20.137 -11.242
  344    HA   LEU  50           HA       LEU  50  13.660 -18.978  -9.966
  345    HB2  LEU  50           HB2      LEU  50  16.562 -18.175 -10.034
  346    HB3  LEU  50           HB1      LEU  50  15.399 -17.342  -9.003
  347    HG   LEU  50           HG       LEU  50  15.411 -20.325  -8.928
  348   HD11  LEU  50          HD11      LEU  50  17.515 -18.575  -7.619
  349   HD12  LEU  50          HD12      LEU  50  17.800 -19.820  -8.834
  350   HD13  LEU  50          HD13      LEU  50  17.234 -20.271  -7.225
  351   HD21  LEU  50          HD21      LEU  50  14.865 -19.889  -6.574
  352   HD22  LEU  50          HD22      LEU  50  13.811 -18.939  -7.620
  353   HD23  LEU  50          HD23      LEU  50  15.172 -18.167  -6.805
  354    H    TRP  51           HN       TRP  51  15.458 -17.652 -12.662
  355    HA   TRP  51           HA       TRP  51  14.336 -15.012 -12.472
  356    HB2  TRP  51           HB2      TRP  51  16.471 -15.288 -13.568
  357    HB3  TRP  51           HB1      TRP  51  15.785 -16.444 -14.709
  358    HD1  TRP  51           HD1      TRP  51  15.928 -12.732 -13.911
  359    HE1  TRP  51           HE1      TRP  51  14.963 -11.407 -15.902
  360    HE3  TRP  51           HE3      TRP  51  14.099 -16.578 -16.728
  361    HZ2  TRP  51           HZ2      TRP  51  13.598 -11.912 -18.365
  362    HZ3  TRP  51           HZ3      TRP  51  12.972 -16.129 -18.890
  363    HH2  TRP  51           HH2      TRP  51  12.720 -13.802 -19.710
  364    H    THR  52           HN       THR  52  13.790 -17.787 -14.645
  365    HA   THR  52           HA       THR  52  11.660 -16.617 -16.089
  366    HB   THR  52           HB       THR  52  12.602 -19.434 -15.649
  367    HG1  THR  52           HG1      THR  52  12.145 -18.157 -18.093
  368   HG21  THR  52          HG21      THR  52  10.806 -19.968 -17.454
  369   HG22  THR  52          HG22      THR  52  10.009 -18.510 -16.864
  370   HG23  THR  52          HG23      THR  52  10.296 -19.863 -15.769
  371    H    VAL  53           HN       VAL  53  11.747 -18.630 -13.177
  372    HA   VAL  53           HA       VAL  53   8.978 -19.038 -12.903
  373    HB   VAL  53           HB       VAL  53  11.213 -18.940 -10.875
  374   HG11  VAL  53          HG11      VAL  53   8.256 -19.335 -10.548
  375   HG12  VAL  53          HG12      VAL  53   9.389 -18.485  -9.498
  376   HG13  VAL  53          HG13      VAL  53   9.363 -20.248  -9.524
  377   HG21  VAL  53          HG21      VAL  53  11.050 -20.773 -12.664
  378   HG22  VAL  53          HG22      VAL  53   9.571 -21.286 -11.851
  379   HG23  VAL  53          HG23      VAL  53  11.108 -21.321 -10.987
  380    H    PHE  54           HN       PHE  54  11.100 -16.506 -11.589
  381    HA   PHE  54           HA       PHE  54   9.182 -15.127 -10.085
  382    HB2  PHE  54           HB2      PHE  54  11.876 -14.661 -11.036
  383    HB3  PHE  54           HB1      PHE  54  10.915 -13.184 -11.119
  384    HD1  PHE  54           HD2      PHE  54   9.269 -12.891  -8.986
  385    HD2  PHE  54           HD1      PHE  54  12.975 -15.064  -9.016
  386    HE1  PHE  54           HE2      PHE  54   9.447 -12.625  -6.527
  387    HE2  PHE  54           HE1      PHE  54  13.152 -14.797  -6.558
  388    HZ   PHE  54           HZ       PHE  54  11.388 -13.577  -5.313
  389    H    ARG  55           HN       ARG  55   9.450 -15.502 -13.452
  390    HA   ARG  55           HA       ARG  55   7.736 -13.142 -13.948
  391    HB2  ARG  55           HB2      ARG  55   9.792 -14.568 -15.578
  392    HB3  ARG  55           HB1      ARG  55   8.444 -13.801 -16.416
  393    HG2  ARG  55           HG2      ARG  55   9.090 -11.671 -15.806
  394    HG3  ARG  55           HG1      ARG  55   9.830 -12.212 -14.300
  395    HD2  ARG  55           HD2      ARG  55  11.053 -13.098 -16.883
  396    HD3  ARG  55           HD1      ARG  55  11.330 -11.444 -16.345
  397    HE   ARG  55           HE       ARG  55  12.523 -13.786 -15.242
  398   HH11  ARG  55          HH21      ARG  55  11.187 -10.694 -14.451
  399   HH12  ARG  55          HH22      ARG  55  12.133 -10.499 -13.012
  400   HH21  ARG  55          HH11      ARG  55  13.763 -13.541 -13.355
  401   HH22  ARG  55          HH12      ARG  55  13.591 -12.111 -12.393
  402    H    LYS  56           HN       LYS  56   7.378 -16.272 -13.270
  403    HA   LYS  56           HA       LYS  56   5.124 -16.612 -15.159
  404    HB2  LYS  56           HB2      LYS  56   5.701 -18.766 -15.569
  405    HB3  LYS  56           HB1      LYS  56   7.300 -18.228 -15.061
  406    HG2  LYS  56           HG2      LYS  56   6.646 -18.892 -12.686
  407    HG3  LYS  56           HG1      LYS  56   5.213 -19.652 -13.377
  408    HD2  LYS  56           HD2      LYS  56   7.905 -20.351 -14.512
  409    HD3  LYS  56           HD1      LYS  56   7.395 -21.075 -12.990
  410    HE2  LYS  56           HE2      LYS  56   5.715 -21.110 -15.509
  411    HE3  LYS  56           HE1      LYS  56   6.779 -22.429 -15.020
  412    HZ1  LYS  56           HZ1      LYS  56   5.550 -22.579 -12.933
  413    HZ2  LYS  56           HZ2      LYS  56   4.532 -22.827 -14.270
  414    HZ3  LYS  56           HZ3      LYS  56   4.508 -21.342 -13.445
  415    H    LYS  57           HN       LYS  57   6.273 -16.755 -11.875
  416    HA   LYS  57           HA       LYS  57   3.631 -17.644 -10.932
  417    HB2  LYS  57           HB2      LYS  57   5.839 -18.685 -10.109
  418    HB3  LYS  57           HB1      LYS  57   6.054 -17.186  -9.203
  419    HG2  LYS  57           HG2      LYS  57   3.551 -17.674  -8.459
  420    HG3  LYS  57           HG1      LYS  57   4.001 -19.334  -8.849
  421    HD2  LYS  57           HD2      LYS  57   6.082 -18.951  -7.405
  422    HD3  LYS  57           HD1      LYS  57   5.282 -17.488  -6.829
  423    HE2  LYS  57           HE2      LYS  57   3.270 -19.321  -6.572
  424    HE3  LYS  57           HE1      LYS  57   4.684 -20.319  -6.233
  425    HZ1  LYS  57           HZ1      LYS  57   3.853 -17.826  -4.865
  426    HZ2  LYS  57           HZ2      LYS  57   5.397 -18.510  -4.675
  427    HZ3  LYS  57           HZ3      LYS  57   4.015 -19.376  -4.195
  428    H    GLY  58           HN       GLY  58   5.858 -14.937 -10.892
  429    HA2  GLY  58           HA2      GLY  58   4.301 -13.414  -8.980
  430    HA3  GLY  58           HA1      GLY  58   5.712 -12.849  -9.869
  431    H    HIS  59           HN       HIS  59   4.592 -13.695 -12.461
  432    HA   HIS  59           HA       HIS  59   3.355 -11.291 -13.227
  433    HB2  HIS  59           HB2      HIS  59   4.207 -13.722 -14.492
  434    HB3  HIS  59           HB1      HIS  59   2.595 -13.301 -15.070
  435    HD2  HIS  59           HD2      HIS  59   6.215 -11.715 -15.027
  436    HE1  HIS  59           HE1      HIS  59   3.810  -9.504 -17.701
  437    HE2  HIS  59           HE2      HIS  59   6.169  -9.809 -16.812
  438    H    HIS  60           HN       HIS  60   2.090 -14.014 -11.629
  439    HA   HIS  60           HA       HIS  60  -0.639 -12.967 -11.993
  440    HB2  HIS  60           HB2      HIS  60   0.255 -15.828 -12.353
  441    HB3  HIS  60           HB1      HIS  60  -1.420 -15.396 -12.011
  442    HD2  HIS  60           HD2      HIS  60   0.439 -16.152 -15.084
  443    HE1  HIS  60           HE1      HIS  60  -2.029 -12.931 -16.250
  444    HE2  HIS  60           HE2      HIS  60  -0.544 -14.810 -17.096
  445    H    HIS  61           HN       HIS  61  -0.661 -12.096  -9.935
  446    HA   HIS  61           HA       HIS  61   0.104 -13.670  -7.632
  447    HB2  HIS  61           HB2      HIS  61  -0.977 -10.909  -8.074
  448    HB3  HIS  61           HB1      HIS  61  -1.046 -11.622  -6.462
  449    HD2  HIS  61           HD2      HIS  61   2.088 -12.600  -8.534
  450    HE1  HIS  61           HE1      HIS  61   3.296  -9.651  -5.764
  451    HE2  HIS  61           HE2      HIS  61   4.116 -11.346  -7.468
  452    H    HIS  62           HN       HIS  62  -2.235 -14.351  -9.535
  453    HA   HIS  62           HA       HIS  62  -4.330 -15.280  -9.370
  454    HB2  HIS  62           HB2      HIS  62  -3.137 -15.758  -6.659
  455    HB3  HIS  62           HB1      HIS  62  -4.815 -16.202  -6.970
  456    HD2  HIS  62           HD2      HIS  62  -5.007 -17.950  -9.427
  457    HE1  HIS  62           HE1      HIS  62  -1.163 -19.550  -8.732
  458    HE2  HIS  62           HE2      HIS  62  -3.327 -19.857 -10.024
  459    H    HIS  63           HN       HIS  63  -4.282 -14.071  -6.051
  460    HA   HIS  63           HA       HIS  63  -6.753 -12.612  -6.561
  461    HB2  HIS  63           HB2      HIS  63  -5.235 -12.832  -3.958
  462    HB3  HIS  63           HB1      HIS  63  -6.933 -12.410  -4.183
  463    HD2  HIS  63           HD2      HIS  63  -6.301 -15.116  -2.421
  464    HE1  HIS  63           HE1      HIS  63  -7.456 -17.225  -5.889
  465    HE2  HIS  63           HE2      HIS  63  -7.073 -17.416  -3.387
  466    H    HIS  64           HN       HIS  64  -4.534 -11.549  -7.910
  467    HA   HIS  64           HA       HIS  64  -3.233  -9.647  -8.142
  468    HB2  HIS  64           HB2      HIS  64  -5.828  -8.611  -6.992
  469    HB3  HIS  64           HB1      HIS  64  -4.570  -7.561  -7.642
  470    HD2  HIS  64           HD2      HIS  64  -4.874  -7.139 -10.349
  471    HE1  HIS  64           HE1      HIS  64  -7.133 -10.589 -11.252
  472    HE2  HIS  64           HE2      HIS  64  -6.135  -8.462 -12.214
  Start of MODEL   26
    1    H1   MET   1           HT1      MET   1  14.676 -18.090 -25.899
    2    H2   MET   1           HT2      MET   1  14.333 -19.645 -25.307
    3    H3   MET   1           HT3      MET   1  15.885 -19.279 -25.895
    4    HA   MET   1           HA       MET   1  14.686 -17.894 -23.569
    5    HB2  MET   1           HB2      MET   1  14.970 -20.450 -23.334
    6    HB3  MET   1           HB1      MET   1  16.704 -20.135 -23.417
    7    HG2  MET   1           HG2      MET   1  16.470 -19.920 -21.148
    8    HG3  MET   1           HG1      MET   1  16.005 -18.277 -21.586
    9    HE1  MET   1           HE1      MET   1  14.531 -18.151 -19.117
   10    HE2  MET   1           HE2      MET   1  15.496 -19.623 -19.029
   11    HE3  MET   1           HE3      MET   1  13.787 -19.672 -18.602
   12    H    GLU   2           HN       GLU   2  15.676 -16.057 -24.746
   13    HA   GLU   2           HA       GLU   2  17.377 -14.557 -25.125
   14    HB2  GLU   2           HB2      GLU   2  18.592 -16.054 -22.789
   15    HB3  GLU   2           HB1      GLU   2  19.127 -14.482 -23.384
   16    HG2  GLU   2           HG2      GLU   2  16.908 -13.533 -22.912
   17    HG3  GLU   2           HG1      GLU   2  16.347 -15.104 -22.344
   18    H    GLU   3           HN       GLU   3  19.992 -14.519 -25.228
   19    HA   GLU   3           HA       GLU   3  21.288 -16.877 -26.128
   20    HB2  GLU   3           HB2      GLU   3  19.596 -16.326 -28.011
   21    HB3  GLU   3           HB1      GLU   3  20.681 -14.989 -28.388
   22    HG2  GLU   3           HG2      GLU   3  21.550 -16.684 -29.733
   23    HG3  GLU   3           HG1      GLU   3  22.544 -16.837 -28.285
   24    H    GLY   4           HN       GLY   4  21.993 -14.898 -24.344
   25    HA2  GLY   4           HA2      GLY   4  23.756 -13.535 -23.776
   26    HA3  GLY   4           HA1      GLY   4  24.584 -14.201 -25.179
   27    H    GLY   5           HN       GLY   5  23.287 -11.427 -23.827
   28    HA2  GLY   5           HA2      GLY   5  23.405 -10.025 -26.429
   29    HA3  GLY   5           HA1      GLY   5  22.129  -9.680 -25.266
   30    H    ASP   6           HN       ASP   6  22.468  -8.014 -23.943
   31    HA   ASP   6           HA       ASP   6  25.149  -7.425 -22.957
   32    HB2  ASP   6           HB2      ASP   6  24.952  -5.026 -23.645
   33    HB3  ASP   6           HB1      ASP   6  25.154  -6.139 -24.997
   34    H    PHE   7           HN       PHE   7  23.376  -8.375 -21.315
   35    HA   PHE   7           HA       PHE   7  21.562  -6.448 -20.206
   36    HB2  PHE   7           HB2      PHE   7  22.639  -8.953 -18.899
   37    HB3  PHE   7           HB1      PHE   7  21.156  -8.091 -18.492
   38    HD1  PHE   7           HD1      PHE   7  19.248  -8.048 -20.104
   39    HD2  PHE   7           HD2      PHE   7  22.737 -10.464 -20.763
   40    HE1  PHE   7           HE1      PHE   7  18.010  -9.374 -21.795
   41    HE2  PHE   7           HE2      PHE   7  21.500 -11.790 -22.454
   42    HZ   PHE   7           HZ       PHE   7  19.136 -11.245 -22.970
   43    H    ASP   8           HN       ASP   8  22.012  -6.732 -17.462
   44    HA   ASP   8           HA       ASP   8  23.954  -4.680 -17.027
   45    HB2  ASP   8           HB2      ASP   8  22.649  -6.431 -14.939
   46    HB3  ASP   8           HB1      ASP   8  23.328  -4.820 -14.716
   47    H    ASN   9           HN       ASN   9  24.577  -7.668 -17.901
   48    HA   ASN   9           HA       ASN   9  26.137  -8.989 -16.088
   49    HB2  ASN   9           HB2      ASN   9  26.288  -8.643 -19.045
   50    HB3  ASN   9           HB1      ASN   9  27.665  -9.388 -18.235
   51   HD21  ASN   9          HD21      ASN   9  27.447 -11.623 -18.391
   52   HD22  ASN   9          HD22      ASN   9  25.998 -12.475 -18.163
   53    H    TYR  10           HN       TYR  10  27.603  -6.773 -18.473
   54    HA   TYR  10           HA       TYR  10  29.986  -6.476 -16.938
   55    HB2  TYR  10           HB2      TYR  10  30.501  -4.674 -18.612
   56    HB3  TYR  10           HB1      TYR  10  30.115  -6.239 -19.327
   57    HD1  TYR  10           HD1      TYR  10  27.828  -6.653 -20.271
   58    HD2  TYR  10           HD2      TYR  10  29.103  -2.763 -18.968
   59    HE1  TYR  10           HE1      TYR  10  25.962  -5.618 -21.535
   60    HE2  TYR  10           HE2      TYR  10  27.237  -1.729 -20.233
   61    HH   TYR  10           HH       TYR  10  24.736  -3.678 -21.740
   62    H    TYR  11           HN       TYR  11  27.745  -5.854 -15.346
   63    HA   TYR  11           HA       TYR  11  28.554  -3.294 -14.329
   64    HB2  TYR  11           HB2      TYR  11  26.854  -2.905 -16.300
   65    HB3  TYR  11           HB1      TYR  11  25.660  -3.380 -15.090
   66    HD1  TYR  11           HD2      TYR  11  28.571  -1.082 -15.604
   67    HD2  TYR  11           HD1      TYR  11  24.887  -1.816 -13.518
   68    HE1  TYR  11           HE2      TYR  11  28.693   1.179 -14.593
   69    HE2  TYR  11           HE1      TYR  11  25.010   0.445 -12.507
   70    HH   TYR  11           HH       TYR  11  26.120   2.686 -13.146
   71    H    GLY  12           HN       GLY  12  28.507  -5.891 -13.273
   72    HA2  GLY  12           HA2      GLY  12  27.504  -5.563 -10.738
   73    HA3  GLY  12           HA1      GLY  12  26.190  -6.318 -11.637
   74    H    ALA  13           HN       ALA  13  29.506  -6.936 -12.468
   75    HA   ALA  13           HA       ALA  13  29.352  -9.605 -11.201
   76    HB1  ALA  13           HB1      ALA  13  29.190 -10.424 -13.299
   77    HB2  ALA  13           HB2      ALA  13  30.900 -10.011 -13.436
   78    HB3  ALA  13           HB3      ALA  13  29.673  -8.892 -14.030
   79    H    ASP  14           HN       ASP  14  31.249  -6.832 -12.113
   80    HA   ASP  14           HA       ASP  14  33.727  -8.049 -11.140
   81    HB2  ASP  14           HB2      ASP  14  34.744  -5.882 -11.845
   82    HB3  ASP  14           HB1      ASP  14  33.917  -6.724 -13.155
   83    H    ASN  15           HN       ASN  15  31.332  -5.644 -10.241
   84    HA   ASN  15           HA       ASN  15  32.588  -4.215  -8.260
   85    HB2  ASN  15           HB2      ASN  15  30.355  -3.626  -8.740
   86    HB3  ASN  15           HB1      ASN  15  29.772  -5.266  -8.454
   87   HD21  ASN  15          HD21      ASN  15  29.681  -6.013  -6.175
   88   HD22  ASN  15          HD22      ASN  15  29.632  -4.880  -4.911
   89    H    GLN  16           HN       GLN  16  31.517  -7.548  -8.182
   90    HA   GLN  16           HA       GLN  16  32.038  -7.824  -5.333
   91    HB2  GLN  16           HB2      GLN  16  31.334  -9.890  -7.433
   92    HB3  GLN  16           HB1      GLN  16  31.414 -10.183  -5.695
   93    HG2  GLN  16           HG2      GLN  16  29.668  -8.448  -5.348
   94    HG3  GLN  16           HG1      GLN  16  29.553  -8.240  -7.095
   95   HE21  GLN  16          HE21      GLN  16  28.753 -10.394  -4.417
   96   HE22  GLN  16          HE22      GLN  16  27.789 -11.456  -5.325
   97    H    SER  17           HN       SER  17  33.555  -8.634  -8.405
   98    HA   SER  17           HA       SER  17  35.564 -10.357  -7.472
   99    HB2  SER  17           HB2      SER  17  36.560 -10.091  -9.561
  100    HB3  SER  17           HB1      SER  17  34.882  -9.677  -9.902
  101    HG   SER  17           HG       SER  17  35.661  -7.838 -10.541
  102    H    GLU  18           HN       GLU  18  35.612  -6.822  -7.932
  103    HA   GLU  18           HA       GLU  18  38.193  -6.226  -7.229
  104    HB2  GLU  18           HB2      GLU  18  35.605  -4.828  -7.041
  105    HB3  GLU  18           HB1      GLU  18  36.858  -4.220  -5.958
  106    HG2  GLU  18           HG2      GLU  18  38.396  -3.947  -7.826
  107    HG3  GLU  18           HG1      GLU  18  37.224  -4.660  -8.931
  108    H    CYS  19           HN       CYS  19  35.582  -5.879  -4.842
  109    HA   CYS  19           HA       CYS  19  37.171  -5.853  -2.575
  110    HB2  CYS  19           HB2      CYS  19  34.359  -6.922  -2.905
  111    HB3  CYS  19           HB1      CYS  19  35.128  -6.596  -1.352
  112    HG   CYS  19           HG       CYS  19  35.429  -4.067  -2.715
  113    H    GLU  20           HN       GLU  20  36.113  -8.566  -4.504
  114    HA   GLU  20           HA       GLU  20  37.197 -10.465  -2.535
  115    HB2  GLU  20           HB2      GLU  20  34.967 -10.953  -3.455
  116    HB3  GLU  20           HB1      GLU  20  35.638 -10.959  -5.085
  117    HG2  GLU  20           HG2      GLU  20  36.557 -13.023  -4.835
  118    HG3  GLU  20           HG1      GLU  20  37.054 -12.706  -3.174
  119    H    TYR  21           HN       TYR  21  38.700  -8.605  -4.468
  120    HA   TYR  21           HA       TYR  21  40.088 -10.496  -6.195
  121    HB2  TYR  21           HB2      TYR  21  39.619  -8.202  -6.986
  122    HB3  TYR  21           HB1      TYR  21  40.617  -7.560  -5.681
  123    HD1  TYR  21           HD1      TYR  21  43.063  -8.031  -5.618
  124    HD2  TYR  21           HD2      TYR  21  40.605  -9.196  -8.943
  125    HE1  TYR  21           HE1      TYR  21  45.093  -8.348  -7.008
  126    HE2  TYR  21           HE2      TYR  21  42.635  -9.514 -10.332
  127    HH   TYR  21           HH       TYR  21  45.755  -8.444  -9.297
  128    H    THR  22           HN       THR  22  40.699  -8.602  -3.275
  129    HA   THR  22           HA       THR  22  43.447  -9.313  -3.028
  130    HB   THR  22           HB       THR  22  43.056  -8.606  -0.604
  131    HG1  THR  22           HG1      THR  22  40.640  -7.546  -1.493
  132   HG21  THR  22          HG21      THR  22  42.231  -6.715  -2.825
  133   HG22  THR  22          HG22      THR  22  43.892  -7.077  -2.352
  134   HG23  THR  22          HG23      THR  22  42.819  -6.236  -1.232
  135    H    ASP  23           HN       ASP  23  40.583 -11.053  -2.601
  136    HA   ASP  23           HA       ASP  23  41.865 -12.986  -0.774
  137    HB2  ASP  23           HB2      ASP  23  39.201 -11.940  -0.977
  138    HB3  ASP  23           HB1      ASP  23  39.163 -13.684  -1.238
  139    H    TRP  24           HN       TRP  24  39.938 -12.810  -3.767
  140    HA   TRP  24           HA       TRP  24  39.784 -15.390  -4.569
  141    HB2  TRP  24           HB2      TRP  24  38.922 -14.088  -6.220
  142    HB3  TRP  24           HB1      TRP  24  40.142 -12.834  -6.006
  143    HD1  TRP  24           HD1      TRP  24  39.418 -16.022  -7.916
  144    HE1  TRP  24           HE1      TRP  24  41.235 -16.365  -9.713
  145    HE3  TRP  24           HE3      TRP  24  42.697 -12.348  -6.569
  146    HZ2  TRP  24           HZ2      TRP  24  43.746 -15.230 -10.480
  147    HZ3  TRP  24           HZ3      TRP  24  44.791 -11.999  -7.848
  148    HH2  TRP  24           HH2      TRP  24  45.319 -13.435  -9.799
  149    H    LYS  25           HN       LYS  25  42.664 -13.333  -4.929
  150    HA   LYS  25           HA       LYS  25  44.343 -14.983  -6.327
  151    HB2  LYS  25           HB2      LYS  25  44.789 -12.651  -5.298
  152    HB3  LYS  25           HB1      LYS  25  45.344 -13.546  -3.882
  153    HG2  LYS  25           HG2      LYS  25  46.933 -14.800  -5.301
  154    HG3  LYS  25           HG1      LYS  25  46.394 -13.882  -6.707
  155    HD2  LYS  25           HD2      LYS  25  48.110 -12.488  -6.157
  156    HD3  LYS  25           HD1      LYS  25  46.974 -11.861  -4.964
  157    HE2  LYS  25           HE2      LYS  25  47.849 -13.536  -3.322
  158    HE3  LYS  25           HE1      LYS  25  49.060 -14.015  -4.512
  159    HZ1  LYS  25           HZ1      LYS  25  49.067 -11.790  -2.759
  160    HZ2  LYS  25           HZ2      LYS  25  49.174 -11.262  -4.370
  161    HZ3  LYS  25           HZ3      LYS  25  50.309 -12.367  -3.759
  162    H    SER  26           HN       SER  26  43.414 -15.237  -2.945
  163    HA   SER  26           HA       SER  26  45.111 -17.624  -2.639
  164    HB2  SER  26           HB2      SER  26  43.579 -16.030  -0.572
  165    HB3  SER  26           HB1      SER  26  44.623 -17.409  -0.234
  166    HG   SER  26           HG       SER  26  46.259 -16.109  -0.354
  167    H    SER  27           HN       SER  27  41.755 -16.525  -2.313
  168    HA   SER  27           HA       SER  27  40.862 -19.294  -1.933
  169    HB2  SER  27           HB2      SER  27  38.628 -18.201  -1.564
  170    HB3  SER  27           HB1      SER  27  39.871 -17.711  -0.417
  171    HG   SER  27           HG       SER  27  38.516 -16.030  -1.541
  172    H    GLY  28           HN       GLY  28  41.952 -18.427  -4.485
  173    HA2  GLY  28           HA2      GLY  28  39.611 -19.052  -6.161
  174    HA3  GLY  28           HA1      GLY  28  40.634 -17.684  -6.591
  175    H    ALA  29           HN       ALA  29  41.947 -20.580  -5.149
  176    HA   ALA  29           HA       ALA  29  42.994 -21.446  -7.770
  177    HB1  ALA  29           HB1      ALA  29  45.015 -22.009  -5.930
  178    HB2  ALA  29           HB2      ALA  29  44.495 -20.374  -5.526
  179    HB3  ALA  29           HB3      ALA  29  45.040 -20.746  -7.162
  180    H    LEU  30           HN       LEU  30  41.048 -22.284  -5.399
  181    HA   LEU  30           HA       LEU  30  41.562 -25.123  -5.755
  182    HB2  LEU  30           HB2      LEU  30  41.359 -25.462  -3.219
  183    HB3  LEU  30           HB1      LEU  30  42.905 -24.867  -3.826
  184    HG   LEU  30           HG       LEU  30  41.000 -22.713  -3.258
  185   HD11  LEU  30          HD11      LEU  30  41.175 -22.909  -0.801
  186   HD12  LEU  30          HD12      LEU  30  41.984 -24.466  -0.984
  187   HD13  LEU  30          HD13      LEU  30  40.303 -24.281  -1.486
  188   HD21  LEU  30          HD21      LEU  30  42.954 -21.715  -2.261
  189   HD22  LEU  30          HD22      LEU  30  43.491 -22.553  -3.716
  190   HD23  LEU  30          HD23      LEU  30  43.757 -23.280  -2.132
  191    H    ILE  31           HN       ILE  31  39.595 -22.542  -4.380
  192    HA   ILE  31           HA       ILE  31  37.317 -24.201  -3.877
  193    HB   ILE  31           HB       ILE  31  37.087 -21.246  -4.265
  194   HG12  ILE  31          HG12      ILE  31  38.717 -22.695  -2.193
  195   HG13  ILE  31          HG11      ILE  31  39.085 -21.193  -3.043
  196   HG21  ILE  31          HG21      ILE  31  36.093 -22.948  -1.987
  197   HG22  ILE  31          HG22      ILE  31  35.243 -22.935  -3.532
  198   HG23  ILE  31          HG23      ILE  31  35.424 -21.440  -2.613
  199   HD11  ILE  31          HD11      ILE  31  38.487 -20.445  -0.897
  200   HD12  ILE  31          HD12      ILE  31  37.198 -21.638  -0.739
  201   HD13  ILE  31          HD13      ILE  31  36.992 -20.253  -1.813
  202    HA   PRO  32           HA       PRO  32  35.926 -21.987  -8.068
  203    HB2  PRO  32           HB2      PRO  32  38.464 -22.501  -9.536
  204    HB3  PRO  32           HB1      PRO  32  37.365 -21.112  -9.631
  205    HG2  PRO  32           HG2      PRO  32  39.712 -20.939  -8.394
  206    HG3  PRO  32           HG1      PRO  32  38.278 -20.092  -7.787
  207    HD2  PRO  32           HD2      PRO  32  39.584 -22.575  -6.748
  208    HD3  PRO  32           HD1      PRO  32  38.784 -21.264  -5.852
  209    H    ALA  33           HN       ALA  33  37.994 -24.754  -7.574
  210    HA   ALA  33           HA       ALA  33  37.257 -26.306  -9.805
  211    HB1  ALA  33           HB1      ALA  33  37.699 -28.144  -7.799
  212    HB2  ALA  33           HB2      ALA  33  38.606 -26.738  -7.242
  213    HB3  ALA  33           HB3      ALA  33  38.946 -27.435  -8.826
  214    H    ILE  34           HN       ILE  34  36.150 -26.788  -6.445
  215    HA   ILE  34           HA       ILE  34  33.975 -28.429  -7.123
  216    HB   ILE  34           HB       ILE  34  35.115 -27.302  -4.759
  217   HG12  ILE  34          HG12      ILE  34  34.728 -29.693  -5.244
  218   HG13  ILE  34          HG11      ILE  34  34.013 -29.219  -3.705
  219   HG21  ILE  34          HG21      ILE  34  33.088 -26.933  -3.407
  220   HG22  ILE  34          HG22      ILE  34  32.085 -27.076  -4.844
  221   HG23  ILE  34          HG23      ILE  34  33.222 -25.732  -4.686
  222   HD11  ILE  34          HD11      ILE  34  32.083 -28.791  -5.796
  223   HD12  ILE  34          HD12      ILE  34  31.983 -29.881  -4.414
  224   HD13  ILE  34          HD13      ILE  34  32.713 -30.433  -5.921
  225    H    TYR  35           HN       TYR  35  34.222 -24.930  -6.692
  226    HA   TYR  35           HA       TYR  35  31.558 -24.198  -6.735
  227    HB2  TYR  35           HB2      TYR  35  34.038 -22.895  -7.024
  228    HB3  TYR  35           HB1      TYR  35  33.074 -22.416  -8.419
  229    HD1  TYR  35           HD1      TYR  35  30.512 -21.896  -7.842
  230    HD2  TYR  35           HD2      TYR  35  33.773 -21.666  -5.054
  231    HE1  TYR  35           HE1      TYR  35  29.182 -20.369  -6.411
  232    HE2  TYR  35           HE2      TYR  35  32.443 -20.140  -3.624
  233    HH   TYR  35           HH       TYR  35  30.539 -18.555  -3.903
  234    H    MET  36           HN       MET  36  33.701 -24.484  -9.578
  235    HA   MET  36           HA       MET  36  31.921 -23.967 -11.592
  236    HB2  MET  36           HB2      MET  36  34.306 -25.739 -11.369
  237    HB3  MET  36           HB1      MET  36  33.288 -25.907 -12.800
  238    HG2  MET  36           HG2      MET  36  34.328 -23.238 -11.826
  239    HG3  MET  36           HG1      MET  36  35.177 -24.223 -13.017
  240    HE1  MET  36           HE1      MET  36  32.378 -21.058 -13.913
  241    HE2  MET  36           HE2      MET  36  33.854 -21.244 -12.969
  242    HE3  MET  36           HE3      MET  36  32.312 -21.761 -12.291
  243    H    LEU  37           HN       LEU  37  32.638 -27.263 -10.420
  244    HA   LEU  37           HA       LEU  37  30.689 -28.643 -11.792
  245    HB2  LEU  37           HB2      LEU  37  32.400 -29.739 -10.414
  246    HB3  LEU  37           HB1      LEU  37  31.614 -29.143  -8.952
  247    HG   LEU  37           HG       LEU  37  29.737 -30.508 -10.721
  248   HD11  LEU  37          HD11      LEU  37  30.690 -32.799 -10.155
  249   HD12  LEU  37          HD12      LEU  37  32.193 -31.978  -9.733
  250   HD13  LEU  37          HD13      LEU  37  31.578 -31.898 -11.384
  251   HD21  LEU  37          HD21      LEU  37  29.330 -29.940  -8.346
  252   HD22  LEU  37          HD22      LEU  37  30.655 -31.001  -7.869
  253   HD23  LEU  37          HD23      LEU  37  29.208 -31.680  -8.613
  254    H    VAL  38           HN       VAL  38  30.335 -26.605  -8.964
  255    HA   VAL  38           HA       VAL  38  27.511 -27.365  -8.691
  256    HB   VAL  38           HB       VAL  38  29.300 -25.614  -6.990
  257   HG11  VAL  38          HG11      VAL  38  27.209 -25.991  -5.414
  258   HG12  VAL  38          HG12      VAL  38  26.356 -26.183  -6.946
  259   HG13  VAL  38          HG13      VAL  38  27.209 -24.680  -6.593
  260   HG21  VAL  38          HG21      VAL  38  28.098 -28.375  -6.608
  261   HG22  VAL  38          HG22      VAL  38  28.940 -27.474  -5.347
  262   HG23  VAL  38          HG23      VAL  38  29.809 -27.990  -6.791
  263    H    PHE  39           HN       PHE  39  29.367 -25.166 -10.368
  264    HA   PHE  39           HA       PHE  39  27.455 -22.962 -10.223
  265    HB2  PHE  39           HB2      PHE  39  30.032 -22.735 -10.380
  266    HB3  PHE  39           HB1      PHE  39  29.808 -23.110 -12.089
  267    HD1  PHE  39           HD2      PHE  39  28.423 -21.633 -13.532
  268    HD2  PHE  39           HD1      PHE  39  29.338 -20.619  -9.459
  269    HE1  PHE  39           HE2      PHE  39  27.748 -19.287 -13.966
  270    HE2  PHE  39           HE1      PHE  39  28.662 -18.272  -9.892
  271    HZ   PHE  39           HZ       PHE  39  27.868 -17.606 -12.145
  272    H    LEU  40           HN       LEU  40  28.933 -24.907 -12.832
  273    HA   LEU  40           HA       LEU  40  27.007 -24.127 -14.772
  274    HB2  LEU  40           HB2      LEU  40  27.938 -26.153 -16.032
  275    HB3  LEU  40           HB1      LEU  40  29.079 -24.873 -15.627
  276    HG   LEU  40           HG       LEU  40  28.888 -26.800 -13.462
  277   HD11  LEU  40          HD11      LEU  40  29.898 -28.705 -14.633
  278   HD12  LEU  40          HD12      LEU  40  29.771 -27.847 -16.169
  279   HD13  LEU  40          HD13      LEU  40  28.312 -28.350 -15.316
  280   HD21  LEU  40          HD21      LEU  40  31.314 -26.781 -13.716
  281   HD22  LEU  40          HD22      LEU  40  30.711 -25.132 -13.888
  282   HD23  LEU  40          HD23      LEU  40  31.171 -26.057 -15.317
  283    H    LEU  41           HN       LEU  41  26.674 -26.066 -12.101
  284    HA   LEU  41           HA       LEU  41  24.408 -27.530 -13.324
  285    HB2  LEU  41           HB2      LEU  41  26.142 -28.463 -11.026
  286    HB3  LEU  41           HB1      LEU  41  24.799 -29.347 -11.745
  287    HG   LEU  41           HG       LEU  41  27.331 -28.526 -13.198
  288   HD11  LEU  41          HD11      LEU  41  26.468 -31.346 -12.605
  289   HD12  LEU  41          HD12      LEU  41  27.365 -30.424 -11.400
  290   HD13  LEU  41          HD13      LEU  41  28.078 -30.737 -12.982
  291   HD21  LEU  41          HD21      LEU  41  25.831 -28.689 -14.941
  292   HD22  LEU  41          HD22      LEU  41  24.737 -29.739 -14.042
  293   HD23  LEU  41          HD23      LEU  41  26.203 -30.402 -14.761
  294    H    GLY  42           HN       GLY  42  25.329 -25.150 -11.177
  295    HA2  GLY  42           HA2      GLY  42  22.727 -25.320  -9.800
  296    HA3  GLY  42           HA1      GLY  42  24.193 -25.094  -8.852
  297    H    THR  43           HN       THR  43  24.203 -23.620 -11.952
  298    HA   THR  43           HA       THR  43  23.042 -21.115 -11.089
  299    HB   THR  43           HB       THR  43  26.024 -21.264 -11.604
  300    HG1  THR  43           HG1      THR  43  24.504 -21.476  -9.375
  301   HG21  THR  43          HG21      THR  43  24.048 -19.061 -11.498
  302   HG22  THR  43          HG22      THR  43  25.616 -19.132 -12.298
  303   HG23  THR  43          HG23      THR  43  25.524 -18.802 -10.569
  304    H    THR  44           HN       THR  44  23.073 -23.225 -13.298
  305    HA   THR  44           HA       THR  44  23.229 -21.318 -15.552
  306    HB   THR  44           HB       THR  44  24.271 -24.128 -15.349
  307    HG1  THR  44           HG1      THR  44  25.198 -21.613 -15.791
  308   HG21  THR  44          HG21      THR  44  22.902 -24.410 -17.236
  309   HG22  THR  44          HG22      THR  44  24.439 -23.903 -17.935
  310   HG23  THR  44          HG23      THR  44  23.123 -22.741 -17.762
  311    H    GLY  45           HN       GLY  45  21.904 -24.430 -14.450
  312    HA2  GLY  45           HA2      GLY  45  19.500 -23.931 -16.100
  313    HA3  GLY  45           HA1      GLY  45  20.055 -25.522 -15.589
  314    H    ASN  46           HN       ASN  46  20.617 -23.618 -13.012
  315    HA   ASN  46           HA       ASN  46  18.057 -24.358 -11.754
  316    HB2  ASN  46           HB2      ASN  46  19.339 -25.087 -10.072
  317    HB3  ASN  46           HB1      ASN  46  20.784 -24.551 -10.926
  318   HD21  ASN  46          HD21      ASN  46  21.591 -22.360 -10.453
  319   HD22  ASN  46          HD22      ASN  46  21.116 -21.553  -9.037
  320    H    GLY  47           HN       GLY  47  20.460 -21.717 -11.705
  321    HA2  GLY  47           HA2      GLY  47  18.799 -19.856 -10.368
  322    HA3  GLY  47           HA1      GLY  47  20.230 -19.460 -11.316
  323    H    LEU  48           HN       LEU  48  19.728 -20.016 -13.816
  324    HA   LEU  48           HA       LEU  48  18.177 -18.006 -14.839
  325    HB2  LEU  48           HB2      LEU  48  19.754 -19.463 -16.139
  326    HB3  LEU  48           HB1      LEU  48  18.517 -20.718 -16.139
  327    HG   LEU  48           HG       LEU  48  16.946 -19.125 -17.250
  328   HD11  LEU  48          HD11      LEU  48  17.585 -16.947 -16.846
  329   HD12  LEU  48          HD12      LEU  48  18.381 -17.177 -18.402
  330   HD13  LEU  48          HD13      LEU  48  19.307 -17.325 -16.910
  331   HD21  LEU  48          HD21      LEU  48  17.806 -20.412 -18.925
  332   HD22  LEU  48          HD22      LEU  48  19.471 -20.144 -18.410
  333   HD23  LEU  48          HD23      LEU  48  18.639 -18.926 -19.376
  334    H    VAL  49           HN       VAL  49  17.151 -21.370 -14.267
  335    HA   VAL  49           HA       VAL  49  14.496 -21.051 -15.160
  336    HB   VAL  49           HB       VAL  49  15.873 -23.006 -13.342
  337   HG11  VAL  49          HG11      VAL  49  13.580 -24.238 -13.502
  338   HG12  VAL  49          HG12      VAL  49  12.918 -22.631 -13.797
  339   HG13  VAL  49          HG13      VAL  49  13.770 -22.971 -12.291
  340   HG21  VAL  49          HG21      VAL  49  14.389 -23.257 -15.980
  341   HG22  VAL  49          HG22      VAL  49  15.253 -24.555 -15.155
  342   HG23  VAL  49          HG23      VAL  49  16.142 -23.175 -15.801
  343    H    LEU  50           HN       LEU  50  15.544 -21.439 -11.771
  344    HA   LEU  50           HA       LEU  50  13.188 -20.565 -10.580
  345    HB2  LEU  50           HB2      LEU  50  16.022 -20.254  -9.557
  346    HB3  LEU  50           HB1      LEU  50  14.564 -20.136  -8.573
  347    HG   LEU  50           HG       LEU  50  15.384 -22.582 -10.173
  348   HD11  LEU  50          HD11      LEU  50  15.467 -23.382  -7.606
  349   HD12  LEU  50          HD12      LEU  50  15.906 -21.689  -7.381
  350   HD13  LEU  50          HD13      LEU  50  16.876 -22.718  -8.434
  351   HD21  LEU  50          HD21      LEU  50  13.088 -22.829  -9.972
  352   HD22  LEU  50          HD22      LEU  50  13.002 -21.852  -8.507
  353   HD23  LEU  50          HD23      LEU  50  13.593 -23.511  -8.426
  354    H    TRP  51           HN       TRP  51  15.630 -18.755 -12.200
  355    HA   TRP  51           HA       TRP  51  14.918 -16.218 -10.976
  356    HB2  TRP  51           HB2      TRP  51  17.218 -16.513 -11.656
  357    HB3  TRP  51           HB1      TRP  51  16.724 -16.924 -13.298
  358    HD1  TRP  51           HD1      TRP  51  17.067 -13.978 -10.911
  359    HE1  TRP  51           HE1      TRP  51  16.861 -11.786 -12.255
  360    HE3  TRP  51           HE3      TRP  51  15.694 -15.855 -15.457
  361    HZ2  TRP  51           HZ2      TRP  51  16.202 -10.942 -14.907
  362    HZ3  TRP  51           HZ3      TRP  51  15.284 -14.338 -17.373
  363    HH2  TRP  51           HH2      TRP  51  15.536 -11.886 -17.103
  364    H    THR  52           HN       THR  52  14.475 -17.848 -14.099
  365    HA   THR  52           HA       THR  52  13.026 -15.704 -15.307
  366    HB   THR  52           HB       THR  52  13.327 -18.634 -15.967
  367    HG1  THR  52           HG1      THR  52  14.170 -16.230 -17.214
  368   HG21  THR  52          HG21      THR  52  12.271 -17.773 -18.207
  369   HG22  THR  52          HG22      THR  52  11.559 -16.530 -17.179
  370   HG23  THR  52          HG23      THR  52  11.214 -18.234 -16.873
  371    H    VAL  53           HN       VAL  53  12.030 -18.804 -13.856
  372    HA   VAL  53           HA       VAL  53   9.275 -18.549 -14.213
  373    HB   VAL  53           HB       VAL  53  10.889 -19.910 -12.053
  374   HG11  VAL  53          HG11      VAL  53   8.632 -21.146 -11.709
  375   HG12  VAL  53          HG12      VAL  53   7.908 -19.733 -12.476
  376   HG13  VAL  53          HG13      VAL  53   8.819 -19.553 -10.977
  377   HG21  VAL  53          HG21      VAL  53   9.180 -21.326 -14.044
  378   HG22  VAL  53          HG22      VAL  53  10.752 -21.782 -13.386
  379   HG23  VAL  53          HG23      VAL  53  10.647 -20.562 -14.656
  380    H    PHE  54           HN       PHE  54  11.337 -17.396 -11.566
  381    HA   PHE  54           HA       PHE  54   9.297 -16.385  -9.913
  382    HB2  PHE  54           HB2      PHE  54  12.223 -15.968 -10.196
  383    HB3  PHE  54           HB1      PHE  54  11.323 -14.719  -9.334
  384    HD1  PHE  54           HD2      PHE  54  10.638 -18.385  -9.523
  385    HD2  PHE  54           HD1      PHE  54  11.861 -15.084  -7.061
  386    HE1  PHE  54           HE2      PHE  54  10.531 -19.841  -7.516
  387    HE2  PHE  54           HE1      PHE  54  11.755 -16.539  -5.056
  388    HZ   PHE  54           HZ       PHE  54  11.089 -18.917  -5.284
  389    H    ARG  55           HN       ARG  55  10.443 -15.326 -12.944
  390    HA   ARG  55           HA       ARG  55   9.340 -12.620 -12.546
  391    HB2  ARG  55           HB2      ARG  55  11.476 -13.758 -14.231
  392    HB3  ARG  55           HB1      ARG  55  10.443 -12.578 -15.036
  393    HG2  ARG  55           HG2      ARG  55  10.957 -10.882 -13.467
  394    HG3  ARG  55           HG1      ARG  55  11.603 -12.039 -12.304
  395    HD2  ARG  55           HD2      ARG  55  13.153 -10.567 -13.993
  396    HD3  ARG  55           HD1      ARG  55  13.638 -12.119 -13.316
  397    HE   ARG  55           HE       ARG  55  13.334 -13.085 -15.418
  398   HH11  ARG  55          HH21      ARG  55  12.007  -9.892 -15.268
  399   HH12  ARG  55          HH22      ARG  55  11.725  -9.780 -16.973
  400   HH21  ARG  55          HH11      ARG  55  12.965 -12.945 -17.656
  401   HH22  ARG  55          HH12      ARG  55  12.267 -11.508 -18.324
  402    H    LYS  56           HN       LYS  56   8.451 -15.625 -13.674
  403    HA   LYS  56           HA       LYS  56   6.602 -14.496 -15.682
  404    HB2  LYS  56           HB2      LYS  56   6.919 -16.340 -16.940
  405    HB3  LYS  56           HB1      LYS  56   8.328 -16.624 -15.923
  406    HG2  LYS  56           HG2      LYS  56   6.832 -17.947 -14.365
  407    HG3  LYS  56           HG1      LYS  56   5.549 -17.797 -15.569
  408    HD2  LYS  56           HD2      LYS  56   7.902 -18.665 -16.927
  409    HD3  LYS  56           HD1      LYS  56   7.693 -19.685 -15.503
  410    HE2  LYS  56           HE2      LYS  56   6.470 -20.593 -17.456
  411    HE3  LYS  56           HE1      LYS  56   5.369 -20.147 -16.151
  412    HZ1  LYS  56           HZ1      LYS  56   4.678 -18.259 -17.268
  413    HZ2  LYS  56           HZ2      LYS  56   4.825 -19.393 -18.523
  414    HZ3  LYS  56           HZ3      LYS  56   6.034 -18.223 -18.286
  415    H    LYS  57           HN       LYS  57   6.841 -16.189 -12.655
  416    HA   LYS  57           HA       LYS  57   3.922 -16.592 -12.589
  417    HB2  LYS  57           HB2      LYS  57   5.717 -18.414 -11.985
  418    HB3  LYS  57           HB1      LYS  57   5.775 -17.558 -10.444
  419    HG2  LYS  57           HG2      LYS  57   3.179 -17.719 -10.512
  420    HG3  LYS  57           HG1      LYS  57   3.444 -18.978 -11.719
  421    HD2  LYS  57           HD2      LYS  57   5.224 -19.755  -9.821
  422    HD3  LYS  57           HD1      LYS  57   3.990 -19.010  -8.806
  423    HE2  LYS  57           HE2      LYS  57   3.486 -21.390  -9.124
  424    HE3  LYS  57           HE1      LYS  57   2.260 -20.401  -9.918
  425    HZ1  LYS  57           HZ1      LYS  57   3.090 -20.880 -11.996
  426    HZ2  LYS  57           HZ2      LYS  57   3.314 -22.358 -11.191
  427    HZ3  LYS  57           HZ3      LYS  57   4.628 -21.303 -11.417
  428    H    GLY  58           HN       GLY  58   6.551 -14.828 -11.117
  429    HA2  GLY  58           HA2      GLY  58   4.941 -13.831  -8.919
  430    HA3  GLY  58           HA1      GLY  58   6.595 -13.367  -9.301
  431    H    HIS  59           HN       HIS  59   5.895 -12.809 -12.121
  432    HA   HIS  59           HA       HIS  59   5.428 -10.059 -11.932
  433    HB2  HIS  59           HB2      HIS  59   6.462 -11.118 -13.895
  434    HB3  HIS  59           HB1      HIS  59   4.924 -11.883 -14.295
  435    HD2  HIS  59           HD2      HIS  59   4.562  -8.230 -13.084
  436    HE1  HIS  59           HE1      HIS  59   4.299  -8.154 -17.298
  437    HE2  HIS  59           HE2      HIS  59   3.995  -6.781 -15.182
  438    H    HIS  60           HN       HIS  60   3.184 -12.693 -12.761
  439    HA   HIS  60           HA       HIS  60   0.928 -10.869 -12.865
  440    HB2  HIS  60           HB2      HIS  60   1.280 -13.829 -13.262
  441    HB3  HIS  60           HB1      HIS  60  -0.328 -13.124 -13.097
  442    HD2  HIS  60           HD2      HIS  60   2.323 -13.612 -15.820
  443    HE1  HIS  60           HE1      HIS  60  -0.347 -10.692 -17.292
  444    HE2  HIS  60           HE2      HIS  60   1.571 -12.240 -17.909
  445    H    HIS  61           HN       HIS  61   0.440 -13.951 -11.401
  446    HA   HIS  61           HA       HIS  61  -0.421 -14.575  -9.372
  447    HB2  HIS  61           HB2      HIS  61   1.892 -13.910  -8.704
  448    HB3  HIS  61           HB1      HIS  61   1.271 -12.308  -8.308
  449    HD2  HIS  61           HD2      HIS  61   1.102 -15.974  -6.899
  450    HE1  HIS  61           HE1      HIS  61  -0.825 -13.420  -4.145
  451    HE2  HIS  61           HE2      HIS  61   0.006 -15.787  -4.536
  452    H    HIS  62           HN       HIS  62  -0.059 -11.127  -8.614
  453    HA   HIS  62           HA       HIS  62  -2.949 -11.027  -8.060
  454    HB2  HIS  62           HB2      HIS  62  -0.571  -9.820  -6.852
  455    HB3  HIS  62           HB1      HIS  62  -1.874  -8.664  -7.130
  456    HD2  HIS  62           HD2      HIS  62  -0.927 -10.650  -4.240
  457    HE1  HIS  62           HE1      HIS  62  -5.112 -11.203  -4.355
  458    HE2  HIS  62           HE2      HIS  62  -3.033 -11.449  -2.917
  459    H    HIS  63           HN       HIS  63  -4.292  -9.683  -9.135
  460    HA   HIS  63           HA       HIS  63  -5.038  -8.435 -10.921
  461    HB2  HIS  63           HB2      HIS  63  -3.972  -6.773  -9.226
  462    HB3  HIS  63           HB1      HIS  63  -2.687  -6.629 -10.426
  463    HD2  HIS  63           HD2      HIS  63  -6.670  -6.320 -10.570
  464    HE1  HIS  63           HE1      HIS  63  -4.946  -3.569 -13.268
  465    HE2  HIS  63           HE2      HIS  63  -7.135  -4.424 -12.305
  466    H    HIS  64           HN       HIS  64  -3.334 -10.569 -11.636
  467    HA   HIS  64           HA       HIS  64  -1.888 -11.316 -13.280
  468    HB2  HIS  64           HB2      HIS  64  -2.652 -10.728 -15.503
  469    HB3  HIS  64           HB1      HIS  64  -4.055 -10.884 -14.446
  470    HD2  HIS  64           HD2      HIS  64  -2.113  -8.074 -16.382
  471    HE1  HIS  64           HE1      HIS  64  -5.534  -6.329 -14.629
  472    HE2  HIS  64           HE2      HIS  64  -3.593  -5.929 -16.217
  Start of MODEL   27
    1    H1   MET   1           HT1      MET   1  55.859   9.663  -6.508
    2    H2   MET   1           HT2      MET   1  57.498   9.841  -6.915
    3    H3   MET   1           HT3      MET   1  57.043   9.608  -5.295
    4    HA   MET   1           HA       MET   1  57.697   7.674  -7.205
    5    HB2  MET   1           HB2      MET   1  57.030   6.208  -5.126
    6    HB3  MET   1           HB1      MET   1  58.415   7.296  -5.015
    7    HG2  MET   1           HG2      MET   1  57.323   8.770  -3.625
    8    HG3  MET   1           HG1      MET   1  55.742   8.422  -4.326
    9    HE1  MET   1           HE1      MET   1  55.652   8.798  -1.442
   10    HE2  MET   1           HE2      MET   1  57.374   8.480  -1.246
   11    HE3  MET   1           HE3      MET   1  56.201   7.526  -0.341
   12    H    GLU   2           HN       GLU   2  55.163   6.738  -5.067
   13    HA   GLU   2           HA       GLU   2  53.633   5.602  -7.213
   14    HB2  GLU   2           HB2      GLU   2  52.813   5.919  -4.319
   15    HB3  GLU   2           HB1      GLU   2  52.182   4.758  -5.489
   16    HG2  GLU   2           HG2      GLU   2  54.854   4.222  -5.622
   17    HG3  GLU   2           HG1      GLU   2  54.691   4.685  -3.930
   18    H    GLU   3           HN       GLU   3  51.804   6.334  -8.163
   19    HA   GLU   3           HA       GLU   3  50.091   8.315  -7.076
   20    HB2  GLU   3           HB2      GLU   3  52.241   9.610  -7.771
   21    HB3  GLU   3           HB1      GLU   3  51.652   9.369  -9.416
   22    HG2  GLU   3           HG2      GLU   3  50.718  11.442  -8.775
   23    HG3  GLU   3           HG1      GLU   3  49.403  10.289  -8.546
   24    H    GLY   4           HN       GLY   4  48.395   7.081  -7.755
   25    HA2  GLY   4           HA2      GLY   4  47.312   7.406 -10.285
   26    HA3  GLY   4           HA1      GLY   4  48.207   5.890 -10.339
   27    H    GLY   5           HN       GLY   5  47.775   5.025  -7.696
   28    HA2  GLY   5           HA2      GLY   5  44.916   4.317  -7.853
   29    HA3  GLY   5           HA1      GLY   5  46.162   3.368  -7.048
   30    H    ASP   6           HN       ASP   6  45.908   6.846  -6.714
   31    HA   ASP   6           HA       ASP   6  45.620   8.171  -4.857
   32    HB2  ASP   6           HB2      ASP   6  43.283   6.945  -5.303
   33    HB3  ASP   6           HB1      ASP   6  43.637   6.270  -3.713
   34    H    PHE   7           HN       PHE   7  47.747   6.369  -4.656
   35    HA   PHE   7           HA       PHE   7  49.140   5.327  -3.145
   36    HB2  PHE   7           HB2      PHE   7  48.866   7.708  -2.243
   37    HB3  PHE   7           HB1      PHE   7  47.749   7.015  -1.068
   38    HD1  PHE   7           HD2      PHE   7  51.211   6.625  -2.433
   39    HD2  PHE   7           HD1      PHE   7  48.563   6.001   0.892
   40    HE1  PHE   7           HE2      PHE   7  53.128   5.884  -1.043
   41    HE2  PHE   7           HE1      PHE   7  50.480   5.261   2.280
   42    HZ   PHE   7           HZ       PHE   7  52.762   5.202   1.312
   43    H    ASP   8           HN       ASP   8  47.184   3.627  -3.701
   44    HA   ASP   8           HA       ASP   8  46.810   2.215  -1.191
   45    HB2  ASP   8           HB2      ASP   8  44.816   3.647  -1.259
   46    HB3  ASP   8           HB1      ASP   8  44.429   3.039  -2.868
   47    H    ASN   9           HN       ASN   9  48.458   1.407  -3.116
   48    HA   ASN   9           HA       ASN   9  48.948  -0.254  -4.630
   49    HB2  ASN   9           HB2      ASN   9  47.752  -1.354  -2.462
   50    HB3  ASN   9           HB1      ASN   9  46.678  -1.921  -3.741
   51   HD21  ASN   9          HD21      ASN   9  50.205  -1.699  -3.000
   52   HD22  ASN   9          HD22      ASN   9  50.604  -3.151  -3.784
   53    H    TYR  10           HN       TYR  10  47.822  -1.889  -6.248
   54    HA   TYR  10           HA       TYR  10  46.652  -0.467  -8.287
   55    HB2  TYR  10           HB2      TYR  10  47.526  -2.908  -8.245
   56    HB3  TYR  10           HB1      TYR  10  45.874  -3.332  -7.797
   57    HD1  TYR  10           HD1      TYR  10  47.914  -1.578 -10.376
   58    HD2  TYR  10           HD2      TYR  10  44.133  -3.370  -9.410
   59    HE1  TYR  10           HE1      TYR  10  47.219  -1.391 -12.749
   60    HE2  TYR  10           HE2      TYR  10  43.437  -3.184 -11.782
   61    HH   TYR  10           HH       TYR  10  43.968  -1.929 -13.759
   62    H    TYR  11           HN       TYR  11  45.072   0.959  -7.501
   63    HA   TYR  11           HA       TYR  11  42.997   1.633  -6.735
   64    HB2  TYR  11           HB2      TYR  11  42.405  -0.721  -8.527
   65    HB3  TYR  11           HB1      TYR  11  41.122   0.254  -7.807
   66    HD1  TYR  11           HD1      TYR  11  44.207   0.480  -9.902
   67    HD2  TYR  11           HD2      TYR  11  40.507   2.332  -8.747
   68    HE1  TYR  11           HE1      TYR  11  44.512   2.192 -11.670
   69    HE2  TYR  11           HE2      TYR  11  40.811   4.044 -10.515
   70    HH   TYR  11           HH       TYR  11  42.604   3.787 -13.031
   71    H    GLY  12           HN       GLY  12  44.386   0.072  -4.853
   72    HA2  GLY  12           HA2      GLY  12  44.102  -1.271  -2.992
   73    HA3  GLY  12           HA1      GLY  12  42.545  -0.451  -2.902
   74    H    ALA  13           HN       ALA  13  43.875  -2.836  -5.191
   75    HA   ALA  13           HA       ALA  13  41.640  -4.648  -4.501
   76    HB1  ALA  13           HB1      ALA  13  40.987  -3.806  -6.597
   77    HB2  ALA  13           HB2      ALA  13  41.801  -5.320  -6.991
   78    HB3  ALA  13           HB3      ALA  13  42.642  -3.785  -7.205
   79    H    ASP  14           HN       ASP  14  44.976  -4.232  -5.452
   80    HA   ASP  14           HA       ASP  14  45.465  -7.109  -5.513
   81    HB2  ASP  14           HB2      ASP  14  47.016  -4.658  -6.203
   82    HB3  ASP  14           HB1      ASP  14  47.917  -6.103  -5.750
   83    H    ASN  15           HN       ASN  15  45.849  -4.375  -3.387
   84    HA   ASN  15           HA       ASN  15  47.807  -5.281  -1.632
   85    HB2  ASN  15           HB2      ASN  15  46.339  -3.069  -1.705
   86    HB3  ASN  15           HB1      ASN  15  45.389  -3.943  -0.505
   87   HD21  ASN  15          HD21      ASN  15  47.832  -1.737  -0.681
   88   HD22  ASN  15          HD22      ASN  15  48.685  -2.134   0.731
   89    H    GLN  16           HN       GLN  16  44.566  -6.405  -2.112
   90    HA   GLN  16           HA       GLN  16  44.674  -8.012   0.354
   91    HB2  GLN  16           HB2      GLN  16  42.336  -8.272   0.175
   92    HB3  GLN  16           HB1      GLN  16  42.625  -6.598  -0.299
   93    HG2  GLN  16           HG2      GLN  16  41.277  -7.266  -2.053
   94    HG3  GLN  16           HG1      GLN  16  42.856  -7.689  -2.713
   95   HE21  GLN  16          HE21      GLN  16  42.504  -9.632  -3.827
   96   HE22  GLN  16          HE22      GLN  16  41.739 -10.992  -3.160
   97    H    SER  17           HN       SER  17  45.151  -8.212  -3.014
   98    HA   SER  17           HA       SER  17  44.499 -11.029  -3.250
   99    HB2  SER  17           HB2      SER  17  44.329  -9.278  -5.118
  100    HB3  SER  17           HB1      SER  17  46.084  -9.391  -5.224
  101    HG   SER  17           HG       SER  17  44.857 -10.846  -6.619
  102    H    GLU  18           HN       GLU  18  47.384  -9.019  -2.932
  103    HA   GLU  18           HA       GLU  18  49.354 -10.933  -3.430
  104    HB2  GLU  18           HB2      GLU  18  49.314  -8.545  -1.582
  105    HB3  GLU  18           HB1      GLU  18  50.757  -9.523  -1.847
  106    HG2  GLU  18           HG2      GLU  18  50.608  -9.089  -4.274
  107    HG3  GLU  18           HG1      GLU  18  49.172  -8.100  -4.006
  108    H    CYS  19           HN       CYS  19  48.376  -9.851  -0.171
  109    HA   CYS  19           HA       CYS  19  49.571 -11.753   1.362
  110    HB2  CYS  19           HB2      CYS  19  46.744 -10.745   1.763
  111    HB3  CYS  19           HB1      CYS  19  47.788 -11.437   3.004
  112    HG   CYS  19           HG       CYS  19  49.025  -9.286   3.182
  113    H    GLU  20           HN       GLU  20  46.797 -12.178  -0.720
  114    HA   GLU  20           HA       GLU  20  46.296 -14.876   0.296
  115    HB2  GLU  20           HB2      GLU  20  44.930 -13.372  -1.949
  116    HB3  GLU  20           HB1      GLU  20  44.381 -14.874  -1.203
  117    HG2  GLU  20           HG2      GLU  20  44.773 -12.284   0.319
  118    HG3  GLU  20           HG1      GLU  20  43.221 -12.816  -0.328
  119    H    TYR  21           HN       TYR  21  47.812 -13.239  -2.378
  120    HA   TYR  21           HA       TYR  21  47.864 -15.179  -4.348
  121    HB2  TYR  21           HB2      TYR  21  48.805 -12.927  -4.641
  122    HB3  TYR  21           HB1      TYR  21  50.121 -13.329  -3.539
  123    HD1  TYR  21           HD2      TYR  21  51.722 -15.183  -4.143
  124    HD2  TYR  21           HD1      TYR  21  48.845 -13.619  -6.922
  125    HE1  TYR  21           HE2      TYR  21  52.991 -16.188  -6.022
  126    HE2  TYR  21           HE1      TYR  21  50.114 -14.624  -8.801
  127    HH   TYR  21           HH       TYR  21  52.654 -15.318  -9.139
  128    H    THR  22           HN       THR  22  49.609 -15.058  -1.320
  129    HA   THR  22           HA       THR  22  51.399 -17.226  -2.017
  130    HB   THR  22           HB       THR  22  51.986 -17.083   0.445
  131    HG1  THR  22           HG1      THR  22  49.863 -16.130   0.926
  132   HG21  THR  22          HG21      THR  22  53.096 -14.869   0.190
  133   HG22  THR  22          HG22      THR  22  52.109 -14.567  -1.241
  134   HG23  THR  22          HG23      THR  22  53.283 -15.884  -1.241
  135    H    ASP  23           HN       ASP  23  48.208 -16.915  -0.841
  136    HA   ASP  23           HA       ASP  23  48.226 -19.598   0.360
  137    HB2  ASP  23           HB2      ASP  23  47.003 -18.306   1.807
  138    HB3  ASP  23           HB1      ASP  23  46.448 -17.217   0.536
  139    H    TRP  24           HN       TRP  24  46.304 -17.714  -1.989
  140    HA   TRP  24           HA       TRP  24  44.654 -19.644  -2.993
  141    HB2  TRP  24           HB2      TRP  24  44.215 -17.724  -4.117
  142    HB3  TRP  24           HB1      TRP  24  45.901 -17.208  -4.088
  143    HD1  TRP  24           HD1      TRP  24  43.502 -19.481  -6.034
  144    HE1  TRP  24           HE1      TRP  24  44.500 -19.914  -8.372
  145    HE3  TRP  24           HE3      TRP  24  48.051 -17.226  -5.484
  146    HZ2  TRP  24           HZ2      TRP  24  46.909 -19.376  -9.817
  147    HZ3  TRP  24           HZ3      TRP  24  49.677 -17.201  -7.355
  148    HH2  TRP  24           HH2      TRP  24  49.112 -18.272  -9.519
  149    H    LYS  25           HN       LYS  25  48.051 -19.105  -3.861
  150    HA   LYS  25           HA       LYS  25  48.359 -20.864  -5.957
  151    HB2  LYS  25           HB2      LYS  25  50.116 -19.354  -4.893
  152    HB3  LYS  25           HB1      LYS  25  50.367 -20.643  -3.715
  153    HG2  LYS  25           HG2      LYS  25  50.903 -22.219  -5.514
  154    HG3  LYS  25           HG1      LYS  25  50.591 -20.971  -6.721
  155    HD2  LYS  25           HD2      LYS  25  52.736 -20.322  -6.542
  156    HD3  LYS  25           HD1      LYS  25  52.413 -19.844  -4.874
  157    HE2  LYS  25           HE2      LYS  25  54.254 -21.419  -4.857
  158    HE3  LYS  25           HE1      LYS  25  52.838 -22.226  -4.183
  159    HZ1  LYS  25           HZ1      LYS  25  54.356 -22.944  -6.437
  160    HZ2  LYS  25           HZ2      LYS  25  52.775 -22.587  -6.942
  161    HZ3  LYS  25           HZ3      LYS  25  53.042 -23.760  -5.744
  162    H    SER  26           HN       SER  26  47.975 -21.579  -2.548
  163    HA   SER  26           HA       SER  26  48.373 -24.450  -3.074
  164    HB2  SER  26           HB2      SER  26  48.487 -22.737  -0.626
  165    HB3  SER  26           HB1      SER  26  48.072 -24.439  -0.451
  166    HG   SER  26           HG       SER  26  50.121 -24.180  -2.153
  167    H    SER  27           HN       SER  27  46.041 -22.146  -1.712
  168    HA   SER  27           HA       SER  27  44.018 -24.252  -1.513
  169    HB2  SER  27           HB2      SER  27  43.295 -21.442  -0.941
  170    HB3  SER  27           HB1      SER  27  42.942 -22.907  -0.029
  171    HG   SER  27           HG       SER  27  45.290 -21.339  -0.079
  172    H    GLY  28           HN       GLY  28  45.030 -23.367  -4.123
  173    HA2  GLY  28           HA2      GLY  28  42.469 -22.442  -5.284
  174    HA3  GLY  28           HA1      GLY  28  44.013 -21.815  -5.849
  175    H    ALA  29           HN       ALA  29  43.757 -25.137  -4.880
  176    HA   ALA  29           HA       ALA  29  43.601 -26.003  -7.696
  177    HB1  ALA  29           HB1      ALA  29  45.356 -27.777  -6.961
  178    HB2  ALA  29           HB2      ALA  29  45.736 -26.631  -5.677
  179    HB3  ALA  29           HB3      ALA  29  45.911 -26.153  -7.365
  180    H    LEU  30           HN       LEU  30  41.892 -26.027  -5.114
  181    HA   LEU  30           HA       LEU  30  40.962 -28.773  -5.491
  182    HB2  LEU  30           HB2      LEU  30  40.745 -28.935  -2.922
  183    HB3  LEU  30           HB1      LEU  30  42.336 -29.202  -3.636
  184    HG   LEU  30           HG       LEU  30  41.754 -26.379  -3.028
  185   HD11  LEU  30          HD11      LEU  30  42.134 -26.677  -0.589
  186   HD12  LEU  30          HD12      LEU  30  42.026 -28.424  -0.803
  187   HD13  LEU  30          HD13      LEU  30  40.618 -27.409  -1.115
  188   HD21  LEU  30          HD21      LEU  30  43.960 -27.252  -3.754
  189   HD22  LEU  30          HD22      LEU  30  44.026 -28.262  -2.309
  190   HD23  LEU  30          HD23      LEU  30  44.055 -26.505  -2.160
  191    H    ILE  31           HN       ILE  31  40.484 -25.573  -4.077
  192    HA   ILE  31           HA       ILE  31  37.728 -25.987  -3.437
  193    HB   ILE  31           HB       ILE  31  38.866 -23.264  -3.929
  194   HG12  ILE  31          HG12      ILE  31  39.622 -25.198  -1.729
  195   HG13  ILE  31          HG11      ILE  31  40.697 -24.269  -2.775
  196   HG21  ILE  31          HG21      ILE  31  37.279 -22.607  -2.388
  197   HG22  ILE  31          HG22      ILE  31  37.362 -24.127  -1.498
  198   HG23  ILE  31          HG23      ILE  31  36.477 -24.043  -3.022
  199   HD11  ILE  31          HD11      ILE  31  40.768 -22.925  -0.901
  200   HD12  ILE  31          HD12      ILE  31  39.146 -23.383  -0.384
  201   HD13  ILE  31          HD13      ILE  31  39.359 -22.222  -1.694
  202    HA   PRO  32           HA       PRO  32  37.223 -23.517  -7.644
  203    HB2  PRO  32           HB2      PRO  32  39.248 -24.964  -9.250
  204    HB3  PRO  32           HB1      PRO  32  38.857 -23.235  -9.220
  205    HG2  PRO  32           HG2      PRO  32  41.107 -24.205  -8.146
  206    HG3  PRO  32           HG1      PRO  32  40.255 -22.811  -7.460
  207    HD2  PRO  32           HD2      PRO  32  40.329 -25.641  -6.491
  208    HD3  PRO  32           HD1      PRO  32  40.268 -24.132  -5.556
  209    H    ALA  33           HN       ALA  33  38.141 -26.883  -7.291
  210    HA   ALA  33           HA       ALA  33  36.751 -28.013  -9.442
  211    HB1  ALA  33           HB1      ALA  33  37.195 -29.182  -6.684
  212    HB2  ALA  33           HB2      ALA  33  38.329 -29.274  -8.031
  213    HB3  ALA  33           HB3      ALA  33  36.769 -30.090  -8.135
  214    H    ILE  34           HN       ILE  34  35.631 -28.120  -6.055
  215    HA   ILE  34           HA       ILE  34  32.993 -28.799  -6.594
  216    HB   ILE  34           HB       ILE  34  34.360 -27.408  -4.323
  217   HG12  ILE  34          HG12      ILE  34  34.128 -29.989  -4.885
  218   HG13  ILE  34          HG11      ILE  34  34.003 -29.421  -3.221
  219   HG21  ILE  34          HG21      ILE  34  32.340 -26.188  -4.251
  220   HG22  ILE  34          HG22      ILE  34  32.047 -27.542  -3.163
  221   HG23  ILE  34          HG23      ILE  34  31.382 -27.566  -4.796
  222   HD11  ILE  34          HD11      ILE  34  31.553 -29.653  -4.967
  223   HD12  ILE  34          HD12      ILE  34  31.649 -29.607  -3.207
  224   HD13  ILE  34          HD13      ILE  34  32.176 -31.044  -4.082
  225    H    TYR  35           HN       TYR  35  34.479 -25.594  -6.346
  226    HA   TYR  35           HA       TYR  35  32.176 -24.028  -6.579
  227    HB2  TYR  35           HB2      TYR  35  35.039 -23.649  -6.803
  228    HB3  TYR  35           HB1      TYR  35  34.179 -22.679  -7.999
  229    HD1  TYR  35           HD1      TYR  35  32.502 -21.009  -7.303
  230    HD2  TYR  35           HD2      TYR  35  34.775 -23.248  -4.428
  231    HE1  TYR  35           HE1      TYR  35  31.822 -19.417  -5.526
  232    HE2  TYR  35           HE2      TYR  35  34.097 -21.656  -2.651
  233    HH   TYR  35           HH       TYR  35  31.940 -18.906  -3.375
  234    H    MET  36           HN       MET  36  34.475 -24.792  -9.201
  235    HA   MET  36           HA       MET  36  33.095 -23.855 -11.357
  236    HB2  MET  36           HB2      MET  36  34.958 -26.140 -10.960
  237    HB3  MET  36           HB1      MET  36  34.075 -26.069 -12.485
  238    HG2  MET  36           HG2      MET  36  36.347 -24.859 -12.400
  239    HG3  MET  36           HG1      MET  36  34.979 -23.949 -13.041
  240    HE1  MET  36           HE1      MET  36  35.659 -21.676 -12.765
  241    HE2  MET  36           HE2      MET  36  35.223 -20.826 -11.285
  242    HE3  MET  36           HE3      MET  36  34.032 -21.843 -12.092
  243    H    LEU  37           HN       LEU  37  32.817 -27.202 -10.143
  244    HA   LEU  37           HA       LEU  37  30.785 -28.089 -11.781
  245    HB2  LEU  37           HB2      LEU  37  31.973 -29.538 -10.185
  246    HB3  LEU  37           HB1      LEU  37  31.181 -28.718  -8.842
  247    HG   LEU  37           HG       LEU  37  28.975 -29.463  -9.687
  248   HD11  LEU  37          HD11      LEU  37  29.262 -31.404 -11.477
  249   HD12  LEU  37          HD12      LEU  37  30.700 -30.483 -11.916
  250   HD13  LEU  37          HD13      LEU  37  29.111 -29.724 -11.991
  251   HD21  LEU  37          HD21      LEU  37  29.400 -31.179  -8.289
  252   HD22  LEU  37          HD22      LEU  37  31.111 -31.173  -8.718
  253   HD23  LEU  37          HD23      LEU  37  29.963 -32.094  -9.689
  254    H    VAL  38           HN       VAL  38  30.526 -26.276  -8.744
  255    HA   VAL  38           HA       VAL  38  27.627 -26.155  -8.959
  256    HB   VAL  38           HB       VAL  38  29.556 -24.921  -6.979
  257   HG11  VAL  38          HG11      VAL  38  26.594 -24.730  -7.352
  258   HG12  VAL  38          HG12      VAL  38  27.729 -23.518  -6.756
  259   HG13  VAL  38          HG13      VAL  38  27.216 -24.840  -5.705
  260   HG21  VAL  38          HG21      VAL  38  28.943 -26.700  -5.530
  261   HG22  VAL  38          HG22      VAL  38  29.202 -27.477  -7.092
  262   HG23  VAL  38          HG23      VAL  38  27.562 -27.148  -6.533
  263    H    PHE  39           HN       PHE  39  30.055 -24.578 -10.496
  264    HA   PHE  39           HA       PHE  39  28.763 -21.938 -10.425
  265    HB2  PHE  39           HB2      PHE  39  31.324 -22.317 -10.248
  266    HB3  PHE  39           HB1      PHE  39  31.242 -22.598 -11.987
  267    HD1  PHE  39           HD1      PHE  39  29.953 -20.167  -9.430
  268    HD2  PHE  39           HD2      PHE  39  31.481 -20.759 -13.403
  269    HE1  PHE  39           HE1      PHE  39  29.883 -17.719  -9.824
  270    HE2  PHE  39           HE2      PHE  39  31.409 -18.313 -13.795
  271    HZ   PHE  39           HZ       PHE  39  30.611 -16.793 -12.006
  272    H    LEU  40           HN       LEU  40  29.408 -24.667 -12.534
  273    HA   LEU  40           HA       LEU  40  28.276 -23.285 -14.839
  274    HB2  LEU  40           HB2      LEU  40  28.774 -25.399 -16.044
  275    HB3  LEU  40           HB1      LEU  40  30.194 -24.719 -15.252
  276    HG   LEU  40           HG       LEU  40  29.168 -26.326 -13.269
  277   HD11  LEU  40          HD11      LEU  40  27.546 -27.163 -15.106
  278   HD12  LEU  40          HD12      LEU  40  28.419 -28.379 -14.176
  279   HD13  LEU  40          HD13      LEU  40  28.958 -27.956 -15.801
  280   HD21  LEU  40          HD21      LEU  40  31.494 -26.318 -13.769
  281   HD22  LEU  40          HD22      LEU  40  31.217 -26.825 -15.435
  282   HD23  LEU  40          HD23      LEU  40  30.966 -27.965 -14.114
  283    H    LEU  41           HN       LEU  41  27.337 -25.543 -12.377
  284    HA   LEU  41           HA       LEU  41  24.804 -26.075 -13.793
  285    HB2  LEU  41           HB2      LEU  41  24.780 -28.147 -12.866
  286    HB3  LEU  41           HB1      LEU  41  26.497 -27.857 -12.645
  287    HG   LEU  41           HG       LEU  41  25.883 -26.849 -10.356
  288   HD11  LEU  41          HD11      LEU  41  23.704 -26.766  -9.762
  289   HD12  LEU  41          HD12      LEU  41  23.582 -28.512  -9.963
  290   HD13  LEU  41          HD13      LEU  41  23.246 -27.444 -11.323
  291   HD21  LEU  41          HD21      LEU  41  26.934 -29.081 -10.725
  292   HD22  LEU  41          HD22      LEU  41  25.324 -29.792 -10.810
  293   HD23  LEU  41          HD23      LEU  41  25.882 -29.047  -9.311
  294    H    GLY  42           HN       GLY  42  26.214 -24.664 -10.926
  295    HA2  GLY  42           HA2      GLY  42  23.605 -24.183  -9.708
  296    HA3  GLY  42           HA1      GLY  42  25.170 -23.762  -9.023
  297    H    THR  43           HN       THR  43  25.295 -22.765 -12.157
  298    HA   THR  43           HA       THR  43  24.061 -20.140 -11.604
  299    HB   THR  43           HB       THR  43  26.582 -20.069 -13.128
  300    HG1  THR  43           HG1      THR  43  26.912 -20.138 -10.383
  301   HG21  THR  43          HG21      THR  43  26.834 -17.995 -11.989
  302   HG22  THR  43          HG22      THR  43  25.707 -18.472 -10.719
  303   HG23  THR  43          HG23      THR  43  25.111 -18.127 -12.343
  304    H    THR  44           HN       THR  44  23.582 -22.633 -13.363
  305    HA   THR  44           HA       THR  44  23.171 -21.123 -15.873
  306    HB   THR  44           HB       THR  44  23.917 -24.049 -15.675
  307    HG1  THR  44           HG1      THR  44  25.373 -21.709 -15.923
  308   HG21  THR  44          HG21      THR  44  22.573 -23.665 -17.618
  309   HG22  THR  44          HG22      THR  44  24.247 -23.695 -18.171
  310   HG23  THR  44          HG23      THR  44  23.410 -22.155 -17.977
  311    H    GLY  45           HN       GLY  45  22.162 -23.891 -13.888
  312    HA2  GLY  45           HA2      GLY  45  19.513 -23.819 -15.184
  313    HA3  GLY  45           HA1      GLY  45  20.159 -25.167 -14.253
  314    H    ASN  46           HN       ASN  46  21.042 -22.506 -12.578
  315    HA   ASN  46           HA       ASN  46  18.749 -22.769 -10.755
  316    HB2  ASN  46           HB2      ASN  46  21.616 -21.986 -10.436
  317    HB3  ASN  46           HB1      ASN  46  20.434 -21.348  -9.293
  318   HD21  ASN  46          HD21      ASN  46  21.642 -24.441 -10.663
  319   HD22  ASN  46          HD22      ASN  46  21.219 -25.376  -9.312
  320    H    GLY  47           HN       GLY  47  20.794 -20.267 -12.255
  321    HA2  GLY  47           HA2      GLY  47  19.233 -18.066 -11.356
  322    HA3  GLY  47           HA1      GLY  47  20.415 -18.031 -12.661
  323    H    LEU  48           HN       LEU  48  19.433 -19.708 -14.521
  324    HA   LEU  48           HA       LEU  48  17.549 -18.233 -15.911
  325    HB2  LEU  48           HB2      LEU  48  18.985 -20.039 -16.876
  326    HB3  LEU  48           HB1      LEU  48  17.946 -21.230 -16.100
  327    HG   LEU  48           HG       LEU  48  15.996 -20.310 -17.353
  328   HD11  LEU  48          HD11      LEU  48  16.397 -18.118 -17.951
  329   HD12  LEU  48          HD12      LEU  48  16.889 -18.908 -19.449
  330   HD13  LEU  48          HD13      LEU  48  18.106 -18.406 -18.277
  331   HD21  LEU  48          HD21      LEU  48  16.667 -22.091 -18.597
  332   HD22  LEU  48          HD22      LEU  48  18.360 -21.601 -18.552
  333   HD23  LEU  48          HD23      LEU  48  17.261 -20.870 -19.722
  334    H    VAL  49           HN       VAL  49  17.004 -21.125 -13.901
  335    HA   VAL  49           HA       VAL  49  14.223 -21.281 -14.245
  336    HB   VAL  49           HB       VAL  49  16.095 -22.201 -12.079
  337   HG11  VAL  49          HG11      VAL  49  13.946 -23.509 -11.333
  338   HG12  VAL  49          HG12      VAL  49  13.088 -22.173 -12.100
  339   HG13  VAL  49          HG13      VAL  49  14.191 -21.859 -10.762
  340   HG21  VAL  49          HG21      VAL  49  14.298 -23.641 -14.058
  341   HG22  VAL  49          HG22      VAL  49  15.431 -24.408 -12.945
  342   HG23  VAL  49          HG23      VAL  49  16.033 -23.393 -14.255
  343    H    LEU  50           HN       LEU  50  15.806 -20.220 -11.233
  344    HA   LEU  50           HA       LEU  50  13.709 -19.033  -9.975
  345    HB2  LEU  50           HB2      LEU  50  16.620 -18.299 -10.079
  346    HB3  LEU  50           HB1      LEU  50  15.490 -17.321  -9.141
  347    HG   LEU  50           HG       LEU  50  15.400 -20.292  -8.806
  348   HD11  LEU  50          HD11      LEU  50  17.163 -20.139  -7.064
  349   HD12  LEU  50          HD12      LEU  50  17.471 -18.470  -7.542
  350   HD13  LEU  50          HD13      LEU  50  17.799 -19.785  -8.670
  351   HD21  LEU  50          HD21      LEU  50  15.307 -18.234  -6.627
  352   HD22  LEU  50          HD22      LEU  50  14.429 -19.757  -6.762
  353   HD23  LEU  50          HD23      LEU  50  13.932 -18.366  -7.723
  354    H    TRP  51           HN       TRP  51  15.472 -17.790 -12.734
  355    HA   TRP  51           HA       TRP  51  14.313 -15.155 -12.616
  356    HB2  TRP  51           HB2      TRP  51  16.463 -15.413 -13.681
  357    HB3  TRP  51           HB1      TRP  51  15.816 -16.618 -14.796
  358    HD1  TRP  51           HD1      TRP  51  15.824 -12.877 -14.083
  359    HE1  TRP  51           HE1      TRP  51  14.866 -11.634 -16.129
  360    HE3  TRP  51           HE3      TRP  51  14.211 -16.851 -16.856
  361    HZ2  TRP  51           HZ2      TRP  51  13.586 -12.244 -18.613
  362    HZ3  TRP  51           HZ3      TRP  51  13.128 -16.491 -19.056
  363    HH2  TRP  51           HH2      TRP  51  12.814 -14.196 -19.937
  364    H    THR  52           HN       THR  52  13.848 -18.001 -14.715
  365    HA   THR  52           HA       THR  52  11.751 -16.951 -16.260
  366    HB   THR  52           HB       THR  52  12.461 -19.791 -15.511
  367    HG1  THR  52           HG1      THR  52  13.767 -19.552 -17.115
  368   HG21  THR  52          HG21      THR  52  10.171 -19.958 -16.040
  369   HG22  THR  52          HG22      THR  52  10.977 -20.277 -17.577
  370   HG23  THR  52          HG23      THR  52  10.271 -18.691 -17.263
  371    H    VAL  53           HN       VAL  53  11.684 -18.876 -13.271
  372    HA   VAL  53           HA       VAL  53   8.885 -19.078 -13.050
  373    HB   VAL  53           HB       VAL  53  11.117 -19.194 -11.029
  374   HG11  VAL  53          HG11      VAL  53   9.219 -20.173  -9.550
  375   HG12  VAL  53          HG12      VAL  53   8.131 -19.297 -10.627
  376   HG13  VAL  53          HG13      VAL  53   9.339 -18.418  -9.689
  377   HG21  VAL  53          HG21      VAL  53  10.516 -21.010 -12.837
  378   HG22  VAL  53          HG22      VAL  53   9.177 -21.375 -11.748
  379   HG23  VAL  53          HG23      VAL  53  10.840 -21.512 -11.178
  380    H    PHE  54           HN       PHE  54  11.153 -16.784 -11.524
  381    HA   PHE  54           HA       PHE  54   9.361 -15.245 -10.095
  382    HB2  PHE  54           HB2      PHE  54  11.995 -14.731 -11.378
  383    HB3  PHE  54           HB1      PHE  54  11.056 -13.324 -10.878
  384    HD1  PHE  54           HD2      PHE  54  11.235 -16.734  -9.356
  385    HD2  PHE  54           HD1      PHE  54  12.092 -12.549  -8.909
  386    HE1  PHE  54           HE2      PHE  54  11.903 -17.123  -6.999
  387    HE2  PHE  54           HE1      PHE  54  12.760 -12.937  -6.552
  388    HZ   PHE  54           HZ       PHE  54  12.666 -15.224  -5.598
  389    H    ARG  55           HN       ARG  55   9.410 -15.724 -13.430
  390    HA   ARG  55           HA       ARG  55   7.954 -13.208 -13.954
  391    HB2  ARG  55           HB2      ARG  55   9.658 -14.998 -15.627
  392    HB3  ARG  55           HB1      ARG  55   8.343 -14.123 -16.413
  393    HG2  ARG  55           HG2      ARG  55   9.261 -12.038 -15.939
  394    HG3  ARG  55           HG1      ARG  55  10.168 -12.639 -14.551
  395    HD2  ARG  55           HD2      ARG  55  11.382 -12.108 -16.860
  396    HD3  ARG  55           HD1      ARG  55  11.890 -13.458 -15.850
  397    HE   ARG  55           HE       ARG  55  11.005 -14.930 -17.437
  398   HH11  ARG  55          HH21      ARG  55  10.091 -11.651 -18.057
  399   HH12  ARG  55          HH22      ARG  55   9.450 -11.981 -19.632
  400   HH21  ARG  55          HH11      ARG  55  10.166 -15.372 -19.501
  401   HH22  ARG  55          HH12      ARG  55   9.493 -14.088 -20.450
  402    H    LYS  56           HN       LYS  56   7.606 -16.610 -13.662
  403    HA   LYS  56           HA       LYS  56   5.041 -16.580 -15.103
  404    HB2  LYS  56           HB2      LYS  56   5.378 -18.769 -15.565
  405    HB3  LYS  56           HB1      LYS  56   7.051 -18.431 -15.133
  406    HG2  LYS  56           HG2      LYS  56   6.448 -19.047 -12.739
  407    HG3  LYS  56           HG1      LYS  56   4.895 -19.619 -13.360
  408    HD2  LYS  56           HD2      LYS  56   6.801 -20.755 -15.068
  409    HD3  LYS  56           HD1      LYS  56   7.493 -20.914 -13.454
  410    HE2  LYS  56           HE2      LYS  56   6.067 -22.855 -14.010
  411    HE3  LYS  56           HE1      LYS  56   5.409 -21.947 -12.649
  412    HZ1  LYS  56           HZ1      LYS  56   3.816 -22.608 -14.496
  413    HZ2  LYS  56           HZ2      LYS  56   4.564 -21.401 -15.427
  414    HZ3  LYS  56           HZ3      LYS  56   3.772 -20.994 -13.980
  415    H    LYS  57           HN       LYS  57   6.438 -16.809 -11.931
  416    HA   LYS  57           HA       LYS  57   3.808 -17.411 -10.750
  417    HB2  LYS  57           HB2      LYS  57   5.362 -18.867  -9.793
  418    HB3  LYS  57           HB1      LYS  57   6.640 -17.653  -9.781
  419    HG2  LYS  57           HG2      LYS  57   5.726 -16.532  -7.919
  420    HG3  LYS  57           HG1      LYS  57   4.144 -17.284  -8.132
  421    HD2  LYS  57           HD2      LYS  57   5.106 -19.478  -7.531
  422    HD3  LYS  57           HD1      LYS  57   6.681 -18.719  -7.300
  423    HE2  LYS  57           HE2      LYS  57   4.202 -17.851  -5.797
  424    HE3  LYS  57           HE1      LYS  57   5.328 -19.058  -5.175
  425    HZ1  LYS  57           HZ1      LYS  57   6.174 -17.140  -4.288
  426    HZ2  LYS  57           HZ2      LYS  57   5.744 -16.185  -5.625
  427    HZ3  LYS  57           HZ3      LYS  57   7.074 -17.237  -5.722
  428    H    GLY  58           HN       GLY  58   6.221 -14.936 -11.101
  429    HA2  GLY  58           HA2      GLY  58   5.224 -13.261  -8.969
  430    HA3  GLY  58           HA1      GLY  58   6.424 -12.815 -10.181
  431    H    HIS  59           HN       HIS  59   4.657 -13.663 -12.397
  432    HA   HIS  59           HA       HIS  59   3.458 -11.197 -12.988
  433    HB2  HIS  59           HB2      HIS  59   3.284 -12.150 -15.007
  434    HB3  HIS  59           HB1      HIS  59   3.868 -13.659 -14.307
  435    HD2  HIS  59           HD2      HIS  59   1.848 -15.582 -13.761
  436    HE1  HIS  59           HE1      HIS  59  -1.342 -13.354 -15.400
  437    HE2  HIS  59           HE2      HIS  59  -0.661 -15.622 -14.483
  438    H    HIS  60           HN       HIS  60   2.433 -13.666 -10.908
  439    HA   HIS  60           HA       HIS  60  -0.212 -12.399 -10.680
  440    HB2  HIS  60           HB2      HIS  60  -0.605 -14.375 -12.034
  441    HB3  HIS  60           HB1      HIS  60   0.285 -15.377 -10.888
  442    HD2  HIS  60           HD2      HIS  60  -2.265 -12.752  -9.478
  443    HE1  HIS  60           HE1      HIS  60  -3.916 -16.597  -8.926
  444    HE2  HIS  60           HE2      HIS  60  -4.198 -14.131  -8.392
  445    H    HIS  61           HN       HIS  61   0.355 -11.424  -8.750
  446    HA   HIS  61           HA       HIS  61   1.434 -13.054  -6.580
  447    HB2  HIS  61           HB2      HIS  61   1.623 -10.971  -5.360
  448    HB3  HIS  61           HB1      HIS  61   2.255 -10.730  -6.988
  449    HD2  HIS  61           HD2      HIS  61   0.785  -8.918  -8.575
  450    HE1  HIS  61           HE1      HIS  61  -2.160  -8.023  -5.684
  451    HE2  HIS  61           HE2      HIS  61  -1.238  -7.385  -7.963
  452    H    HIS  62           HN       HIS  62  -1.130 -13.836  -7.469
  453    HA   HIS  62           HA       HIS  62  -3.120 -14.516  -6.535
  454    HB2  HIS  62           HB2      HIS  62  -2.530 -13.060  -3.988
  455    HB3  HIS  62           HB1      HIS  62  -3.307 -14.624  -4.229
  456    HD2  HIS  62           HD2      HIS  62   0.192 -13.227  -3.461
  457    HE1  HIS  62           HE1      HIS  62   0.732 -17.272  -4.539
  458    HE2  HIS  62           HE2      HIS  62   1.865 -15.229  -3.544
  459    H    HIS  63           HN       HIS  63  -5.072 -13.664  -6.907
  460    HA   HIS  63           HA       HIS  63  -6.673 -12.095  -7.413
  461    HB2  HIS  63           HB2      HIS  63  -6.349 -12.005  -4.819
  462    HB3  HIS  63           HB1      HIS  63  -5.626 -10.430  -5.150
  463    HD2  HIS  63           HD2      HIS  63  -9.123 -12.212  -5.802
  464    HE1  HIS  63           HE1      HIS  63  -9.672  -8.027  -5.878
  465    HE2  HIS  63           HE2      HIS  63 -10.858 -10.270  -5.990
  466    H    HIS  64           HN       HIS  64  -4.772 -11.799  -9.166
  467    HA   HIS  64           HA       HIS  64  -3.126  -9.662  -9.374
  468    HB2  HIS  64           HB2      HIS  64  -4.431  -9.635 -11.839
  469    HB3  HIS  64           HB1      HIS  64  -3.017 -10.600 -11.412
  470    HD2  HIS  64           HD2      HIS  64  -6.971 -11.090 -11.141
  471    HE1  HIS  64           HE1      HIS  64  -5.126 -14.850 -11.670
  472    HE2  HIS  64           HE2      HIS  64  -7.355 -13.656 -11.442
  Start of MODEL   28
    1    H1   MET   1           HT1      MET   1  18.383 -16.022 -14.722
    2    H2   MET   1           HT2      MET   1  19.892 -16.803 -14.747
    3    H3   MET   1           HT3      MET   1  18.829 -16.963 -16.062
    4    HA   MET   1           HA       MET   1  20.655 -15.418 -16.536
    5    HB2  MET   1           HB2      MET   1  17.783 -14.854 -16.684
    6    HB3  MET   1           HB1      MET   1  18.771 -13.394 -16.742
    7    HG2  MET   1           HG2      MET   1  18.384 -14.349 -19.006
    8    HG3  MET   1           HG1      MET   1  20.095 -14.329 -18.579
    9    HE1  MET   1           HE1      MET   1  19.365 -17.555 -20.765
   10    HE2  MET   1           HE2      MET   1  20.103 -15.956 -20.734
   11    HE3  MET   1           HE3      MET   1  18.349 -16.107 -20.779
   12    H    GLU   2           HN       GLU   2  22.131 -14.656 -15.109
   13    HA   GLU   2           HA       GLU   2  21.305 -12.403 -13.403
   14    HB2  GLU   2           HB2      GLU   2  22.922 -13.330 -11.652
   15    HB3  GLU   2           HB1      GLU   2  21.380 -14.169 -11.820
   16    HG2  GLU   2           HG2      GLU   2  23.769 -15.055 -13.421
   17    HG3  GLU   2           HG1      GLU   2  23.574 -15.583 -11.751
   18    H    GLU   3           HN       GLU   3  22.543 -12.249 -15.911
   19    HA   GLU   3           HA       GLU   3  25.355 -12.131 -15.841
   20    HB2  GLU   3           HB2      GLU   3  24.105 -12.100 -17.942
   21    HB3  GLU   3           HB1      GLU   3  23.404 -10.538 -17.519
   22    HG2  GLU   3           HG2      GLU   3  25.288  -9.404 -18.079
   23    HG3  GLU   3           HG1      GLU   3  26.341 -10.614 -17.349
   24    H    GLY   4           HN       GLY   4  25.511 -11.182 -13.617
   25    HA2  GLY   4           HA2      GLY   4  26.389  -9.403 -12.415
   26    HA3  GLY   4           HA1      GLY   4  26.153  -8.375 -13.825
   27    H    GLY   5           HN       GLY   5  24.409  -9.970 -11.175
   28    HA2  GLY   5           HA2      GLY   5  22.730  -7.597 -10.874
   29    HA3  GLY   5           HA1      GLY   5  21.896  -9.104 -11.246
   30    H    ASP   6           HN       ASP   6  24.814  -8.982  -9.315
   31    HA   ASP   6           HA       ASP   6  23.383  -9.085  -6.793
   32    HB2  ASP   6           HB2      ASP   6  25.022 -11.485  -7.623
   33    HB3  ASP   6           HB1      ASP   6  24.047 -11.297  -6.165
   34    H    PHE   7           HN       PHE   7  25.043  -7.139  -7.351
   35    HA   PHE   7           HA       PHE   7  27.757  -7.835  -6.507
   36    HB2  PHE   7           HB2      PHE   7  26.567  -5.173  -7.322
   37    HB3  PHE   7           HB1      PHE   7  28.273  -5.484  -7.006
   38    HD1  PHE   7           HD1      PHE   7  29.343  -7.476  -8.355
   39    HD2  PHE   7           HD2      PHE   7  25.750  -5.419  -9.505
   40    HE1  PHE   7           HE1      PHE   7  29.637  -8.263 -10.688
   41    HE2  PHE   7           HE2      PHE   7  26.045  -6.208 -11.837
   42    HZ   PHE   7           HZ       PHE   7  27.988  -7.630 -12.428
   43    H    ASP   8           HN       ASP   8  28.173  -7.953  -4.403
   44    HA   ASP   8           HA       ASP   8  27.028  -5.907  -2.617
   45    HB2  ASP   8           HB2      ASP   8  27.271  -8.802  -1.806
   46    HB3  ASP   8           HB1      ASP   8  26.425  -7.502  -0.966
   47    H    ASN   9           HN       ASN   9  29.642  -6.144  -3.866
   48    HA   ASN   9           HA       ASN   9  31.614  -7.231  -2.216
   49    HB2  ASN   9           HB2      ASN   9  31.629  -4.841  -4.059
   50    HB3  ASN   9           HB1      ASN   9  33.076  -5.393  -3.215
   51   HD21  ASN   9          HD21      ASN   9  32.630  -5.454  -6.145
   52   HD22  ASN   9          HD22      ASN   9  32.725  -7.087  -6.602
   53    H    TYR  10           HN       TYR  10  33.334  -5.301  -1.401
   54    HA   TYR  10           HA       TYR  10  33.831  -4.054   0.464
   55    HB2  TYR  10           HB2      TYR  10  32.446  -2.496  -1.131
   56    HB3  TYR  10           HB1      TYR  10  31.224  -2.624   0.135
   57    HD1  TYR  10           HD2      TYR  10  32.024  -2.201   2.581
   58    HD2  TYR  10           HD1      TYR  10  34.199  -0.951  -0.906
   59    HE1  TYR  10           HE2      TYR  10  33.260  -0.540   3.947
   60    HE2  TYR  10           HE1      TYR  10  35.435   0.710   0.460
   61    HH   TYR  10           HH       TYR  10  35.051   0.850   3.971
   62    H    TYR  11           HN       TYR  11  33.771  -5.235   2.287
   63    HA   TYR  11           HA       TYR  11  33.005  -6.119   4.263
   64    HB2  TYR  11           HB2      TYR  11  32.097  -3.736   4.429
   65    HB3  TYR  11           HB1      TYR  11  30.548  -4.402   3.911
   66    HD1  TYR  11           HD1      TYR  11  33.244  -4.828   6.469
   67    HD2  TYR  11           HD2      TYR  11  29.114  -5.442   5.460
   68    HE1  TYR  11           HE1      TYR  11  32.792  -5.588   8.785
   69    HE2  TYR  11           HE2      TYR  11  28.661  -6.202   7.778
   70    HH   TYR  11           HH       TYR  11  29.501  -6.516   9.804
   71    H    GLY  12           HN       GLY  12  32.695  -7.890   2.406
   72    HA2  GLY  12           HA2      GLY  12  30.674  -9.597   3.164
   73    HA3  GLY  12           HA1      GLY  12  29.999  -8.666   1.832
   74    H    ALA  13           HN       ALA  13  32.776  -8.397   0.699
   75    HA   ALA  13           HA       ALA  13  32.863 -11.045  -0.608
   76    HB1  ALA  13           HB1      ALA  13  32.471  -9.415  -2.266
   77    HB2  ALA  13           HB2      ALA  13  34.207  -9.711  -2.358
   78    HB3  ALA  13           HB3      ALA  13  33.601  -8.274  -1.535
   79    H    ASP  14           HN       ASP  14  34.619  -8.796   1.327
   80    HA   ASP  14           HA       ASP  14  37.127 -10.300   0.947
   81    HB2  ASP  14           HB2      ASP  14  36.704  -7.690   2.418
   82    HB3  ASP  14           HB1      ASP  14  38.245  -8.423   1.974
   83    H    ASN  15           HN       ASN  15  34.504  -9.840   3.086
   84    HA   ASN  15           HA       ASN  15  35.766 -10.384   5.559
   85    HB2  ASN  15           HB2      ASN  15  32.970 -10.421   4.527
   86    HB3  ASN  15           HB1      ASN  15  33.300 -11.266   6.038
   87   HD21  ASN  15          HD21      ASN  15  33.721  -9.994   7.916
   88   HD22  ASN  15          HD22      ASN  15  33.697  -8.297   7.907
   89    H    GLN  16           HN       GLN  16  34.638 -12.404   2.947
   90    HA   GLN  16           HA       GLN  16  35.061 -14.838   4.537
   91    HB2  GLN  16           HB2      GLN  16  34.098 -15.988   2.542
   92    HB3  GLN  16           HB1      GLN  16  33.010 -14.788   3.242
   93    HG2  GLN  16           HG2      GLN  16  32.969 -13.634   1.314
   94    HG3  GLN  16           HG1      GLN  16  34.728 -13.516   1.310
   95   HE21  GLN  16          HE21      GLN  16  35.941 -15.220   0.171
   96   HE22  GLN  16          HE22      GLN  16  35.169 -16.217  -0.966
   97    H    SER  17           HN       SER  17  37.032 -12.825   3.064
   98    HA   SER  17           HA       SER  17  38.709 -14.960   1.882
   99    HB2  SER  17           HB2      SER  17  39.460 -13.494   0.211
  100    HB3  SER  17           HB1      SER  17  37.736 -13.153   0.308
  101    HG   SER  17           HG       SER  17  39.834 -11.728   1.593
  102    H    GLU  18           HN       GLU  18  38.841 -11.712   3.355
  103    HA   GLU  18           HA       GLU  18  41.560 -11.713   4.001
  104    HB2  GLU  18           HB2      GLU  18  41.121  -9.821   5.267
  105    HB3  GLU  18           HB1      GLU  18  39.728  -9.839   4.187
  106    HG2  GLU  18           HG2      GLU  18  38.593 -11.271   6.036
  107    HG3  GLU  18           HG1      GLU  18  39.873 -10.655   7.082
  108    H    CYS  19           HN       CYS  19  38.874 -13.339   5.489
  109    HA   CYS  19           HA       CYS  19  40.319 -13.925   7.944
  110    HB2  CYS  19           HB2      CYS  19  37.870 -13.568   7.970
  111    HB3  CYS  19           HB1      CYS  19  37.666 -14.985   6.940
  112    HG   CYS  19           HG       CYS  19  38.300 -15.036   9.940
  113    H    GLU  20           HN       GLU  20  39.451 -15.528   4.933
  114    HA   GLU  20           HA       GLU  20  40.660 -18.039   5.841
  115    HB2  GLU  20           HB2      GLU  20  39.465 -17.484   3.127
  116    HB3  GLU  20           HB1      GLU  20  39.697 -19.043   3.917
  117    HG2  GLU  20           HG2      GLU  20  37.776 -16.855   4.756
  118    HG3  GLU  20           HG1      GLU  20  37.354 -18.433   4.095
  119    H    TYR  21           HN       TYR  21  41.678 -15.195   4.539
  120    HA   TYR  21           HA       TYR  21  43.313 -15.726   2.394
  121    HB2  TYR  21           HB2      TYR  21  42.964 -13.497   3.462
  122    HB3  TYR  21           HB1      TYR  21  44.055 -13.988   4.757
  123    HD1  TYR  21           HD2      TYR  21  46.441 -14.653   4.163
  124    HD2  TYR  21           HD1      TYR  21  43.797 -12.712   1.389
  125    HE1  TYR  21           HE2      TYR  21  48.384 -14.004   2.765
  126    HE2  TYR  21           HE1      TYR  21  45.740 -12.063  -0.010
  127    HH   TYR  21           HH       TYR  21  49.010 -12.455   1.096
  128    H    THR  22           HN       THR  22  43.772 -16.621   5.745
  129    HA   THR  22           HA       THR  22  46.529 -17.401   5.412
  130    HB   THR  22           HB       THR  22  46.305 -18.297   7.684
  131    HG1  THR  22           HG1      THR  22  44.305 -19.108   7.794
  132   HG21  THR  22          HG21      THR  22  46.096 -16.226   8.744
  133   HG22  THR  22          HG22      THR  22  44.784 -15.707   7.685
  134   HG23  THR  22          HG23      THR  22  46.440 -15.752   7.081
  135    H    ASP  23           HN       ASP  23  43.439 -18.853   4.924
  136    HA   ASP  23           HA       ASP  23  44.624 -21.547   4.793
  137    HB2  ASP  23           HB2      ASP  23  42.062 -20.526   5.594
  138    HB3  ASP  23           HB1      ASP  23  41.851 -21.650   4.253
  139    H    TRP  24           HN       TRP  24  42.334 -19.545   2.913
  140    HA   TRP  24           HA       TRP  24  42.109 -20.934   0.602
  141    HB2  TRP  24           HB2      TRP  24  40.973 -18.992   0.331
  142    HB3  TRP  24           HB1      TRP  24  42.144 -18.062   1.267
  143    HD1  TRP  24           HD1      TRP  24  41.262 -19.093  -2.254
  144    HE1  TRP  24           HE1      TRP  24  42.835 -17.904  -3.914
  145    HE3  TRP  24           HE3      TRP  24  44.638 -17.087   1.011
  146    HZ2  TRP  24           HZ2      TRP  24  45.211 -16.311  -3.864
  147    HZ3  TRP  24           HZ3      TRP  24  46.543 -15.739   0.179
  148    HH2  TRP  24           HH2      TRP  24  46.835 -15.350  -2.252
  149    H    LYS  25           HN       LYS  25  44.886 -18.914   1.504
  150    HA   LYS  25           HA       LYS  25  46.354 -18.981  -0.831
  151    HB2  LYS  25           HB2      LYS  25  46.896 -17.857   1.430
  152    HB3  LYS  25           HB1      LYS  25  47.670 -19.387   1.844
  153    HG2  LYS  25           HG2      LYS  25  48.956 -19.189  -0.343
  154    HG3  LYS  25           HG1      LYS  25  48.350 -17.536  -0.450
  155    HD2  LYS  25           HD2      LYS  25  50.322 -17.131   0.681
  156    HD3  LYS  25           HD1      LYS  25  49.263 -17.437   2.058
  157    HE2  LYS  25           HE2      LYS  25  49.961 -19.950   1.648
  158    HE3  LYS  25           HE1      LYS  25  51.347 -19.217   0.840
  159    HZ1  LYS  25           HZ1      LYS  25  51.490 -17.796   2.957
  160    HZ2  LYS  25           HZ2      LYS  25  52.045 -19.401   3.018
  161    HZ3  LYS  25           HZ3      LYS  25  50.524 -19.000   3.661
  162    H    SER  26           HN       SER  26  46.019 -21.490   1.627
  163    HA   SER  26           HA       SER  26  47.801 -23.258   0.101
  164    HB2  SER  26           HB2      SER  26  46.561 -23.521   2.846
  165    HB3  SER  26           HB1      SER  26  47.550 -24.765   2.087
  166    HG   SER  26           HG       SER  26  48.376 -22.076   2.467
  167    H    SER  27           HN       SER  27  44.480 -23.083   1.344
  168    HA   SER  27           HA       SER  27  43.786 -25.464  -0.251
  169    HB2  SER  27           HB2      SER  27  42.119 -24.046   1.835
  170    HB3  SER  27           HB1      SER  27  41.786 -25.610   1.095
  171    HG   SER  27           HG       SER  27  43.004 -25.338   3.274
  172    H    GLY  28           HN       GLY  28  44.270 -23.297  -1.812
  173    HA2  GLY  28           HA2      GLY  28  41.559 -22.612  -2.759
  174    HA3  GLY  28           HA1      GLY  28  42.774 -21.347  -2.595
  175    H    ALA  29           HN       ALA  29  44.345 -24.144  -3.395
  176    HA   ALA  29           HA       ALA  29  44.417 -23.399  -6.252
  177    HB1  ALA  29           HB1      ALA  29  46.600 -24.745  -6.175
  178    HB2  ALA  29           HB2      ALA  29  46.441 -24.678  -4.419
  179    HB3  ALA  29           HB3      ALA  29  46.594 -23.187  -5.349
  180    H    LEU  30           HN       LEU  30  42.349 -25.067  -5.101
  181    HA   LEU  30           HA       LEU  30  42.383 -27.197  -6.974
  182    HB2  LEU  30           HB2      LEU  30  42.440 -29.088  -5.366
  183    HB3  LEU  30           HB1      LEU  30  43.974 -28.219  -5.444
  184    HG   LEU  30           HG       LEU  30  42.493 -26.871  -3.484
  185   HD11  LEU  30          HD11      LEU  30  41.844 -28.675  -1.930
  186   HD12  LEU  30          HD12      LEU  30  42.269 -29.879  -3.147
  187   HD13  LEU  30          HD13      LEU  30  40.921 -28.776  -3.430
  188   HD21  LEU  30          HD21      LEU  30  44.195 -27.819  -1.967
  189   HD22  LEU  30          HD22      LEU  30  44.926 -27.320  -3.491
  190   HD23  LEU  30          HD23      LEU  30  44.610 -29.027  -3.183
  191    H    ILE  31           HN       ILE  31  41.041 -25.703  -4.103
  192    HA   ILE  31           HA       ILE  31  38.571 -27.148  -4.168
  193    HB   ILE  31           HB       ILE  31  39.212 -24.516  -2.817
  194   HG12  ILE  31          HG12      ILE  31  40.495 -26.783  -2.265
  195   HG13  ILE  31          HG11      ILE  31  39.951 -25.714  -0.976
  196   HG21  ILE  31          HG21      ILE  31  37.270 -25.351  -1.337
  197   HG22  ILE  31          HG22      ILE  31  36.885 -26.428  -2.680
  198   HG23  ILE  31          HG23      ILE  31  36.863 -24.680  -2.915
  199   HD11  ILE  31          HD11      ILE  31  38.090 -27.077  -0.469
  200   HD12  ILE  31          HD12      ILE  31  39.392 -28.229  -0.761
  201   HD13  ILE  31          HD13      ILE  31  38.184 -27.933  -2.009
  202    HA   PRO  32           HA       PRO  32  37.145 -22.998  -6.350
  203    HB2  PRO  32           HB2      PRO  32  39.377 -22.724  -8.275
  204    HB3  PRO  32           HB1      PRO  32  38.533 -21.476  -7.342
  205    HG2  PRO  32           HG2      PRO  32  41.028 -22.240  -6.764
  206    HG3  PRO  32           HG1      PRO  32  39.876 -21.740  -5.514
  207    HD2  PRO  32           HD2      PRO  32  40.784 -24.497  -6.248
  208    HD3  PRO  32           HD1      PRO  32  40.386 -23.827  -4.653
  209    H    ALA  33           HN       ALA  33  38.832 -25.740  -7.642
  210    HA   ALA  33           HA       ALA  33  37.792 -25.801 -10.252
  211    HB1  ALA  33           HB1      ALA  33  38.157 -28.342  -9.976
  212    HB2  ALA  33           HB2      ALA  33  38.787 -27.937  -8.379
  213    HB3  ALA  33           HB3      ALA  33  39.563 -27.289  -9.824
  214    H    ILE  34           HN       ILE  34  36.740 -27.929  -7.584
  215    HA   ILE  34           HA       ILE  34  34.325 -28.687  -8.789
  216    HB   ILE  34           HB       ILE  34  35.343 -28.698  -5.969
  217   HG12  ILE  34          HG12      ILE  34  34.251 -30.905  -7.738
  218   HG13  ILE  34          HG11      ILE  34  35.947 -30.421  -7.738
  219   HG21  ILE  34          HG21      ILE  34  33.076 -28.215  -5.501
  220   HG22  ILE  34          HG22      ILE  34  33.129 -29.976  -5.482
  221   HG23  ILE  34          HG23      ILE  34  32.501 -29.131  -6.895
  222   HD11  ILE  34          HD11      ILE  34  35.402 -32.370  -6.215
  223   HD12  ILE  34          HD12      ILE  34  34.459 -31.247  -5.236
  224   HD13  ILE  34          HD13      ILE  34  36.198 -31.011  -5.421
  225    H    TYR  35           HN       TYR  35  34.990 -26.138  -6.399
  226    HA   TYR  35           HA       TYR  35  32.507 -25.163  -5.862
  227    HB2  TYR  35           HB2      TYR  35  35.170 -24.132  -5.806
  228    HB3  TYR  35           HB1      TYR  35  34.107 -22.890  -6.468
  229    HD1  TYR  35           HD2      TYR  35  34.644 -25.170  -3.583
  230    HD2  TYR  35           HD1      TYR  35  32.471 -21.792  -5.107
  231    HE1  TYR  35           HE2      TYR  35  33.765 -24.709  -1.310
  232    HE2  TYR  35           HE1      TYR  35  31.592 -21.332  -2.835
  233    HH   TYR  35           HH       TYR  35  32.508 -21.903  -0.361
  234    H    MET  36           HN       MET  36  34.491 -24.144  -8.652
  235    HA   MET  36           HA       MET  36  32.469 -22.605  -9.881
  236    HB2  MET  36           HB2      MET  36  35.099 -23.725 -10.682
  237    HB3  MET  36           HB1      MET  36  33.991 -23.302 -11.987
  238    HG2  MET  36           HG2      MET  36  34.653 -21.421  -9.711
  239    HG3  MET  36           HG1      MET  36  35.528 -21.428 -11.241
  240    HE1  MET  36           HE1      MET  36  33.696 -19.063  -9.741
  241    HE2  MET  36           HE2      MET  36  32.619 -20.358  -9.224
  242    HE3  MET  36           HE3      MET  36  31.998 -19.058 -10.236
  243    H    LEU  37           HN       LEU  37  33.611 -25.915 -10.541
  244    HA   LEU  37           HA       LEU  37  31.928 -26.600 -12.615
  245    HB2  LEU  37           HB2      LEU  37  33.781 -27.988 -11.482
  246    HB3  LEU  37           HB1      LEU  37  32.520 -28.517 -10.368
  247    HG   LEU  37           HG       LEU  37  31.206 -28.928 -12.663
  248   HD11  LEU  37          HD11      LEU  37  34.050 -29.579 -13.446
  249   HD12  LEU  37          HD12      LEU  37  33.295 -28.048 -13.892
  250   HD13  LEU  37          HD13      LEU  37  32.610 -29.568 -14.466
  251   HD21  LEU  37          HD21      LEU  37  33.238 -30.685 -11.277
  252   HD22  LEU  37          HD22      LEU  37  32.235 -31.293 -12.595
  253   HD23  LEU  37          HD23      LEU  37  31.482 -30.708 -11.111
  254    H    VAL  38           HN       VAL  38  31.253 -26.578  -9.145
  255    HA   VAL  38           HA       VAL  38  28.558 -27.595  -9.513
  256    HB   VAL  38           HB       VAL  38  30.140 -26.641  -7.130
  257   HG11  VAL  38          HG11      VAL  38  27.980 -25.898  -6.554
  258   HG12  VAL  38          HG12      VAL  38  28.038 -27.524  -5.875
  259   HG13  VAL  38          HG13      VAL  38  27.196 -27.234  -7.397
  260   HG21  VAL  38          HG21      VAL  38  30.141 -28.916  -6.510
  261   HG22  VAL  38          HG22      VAL  38  30.360 -28.976  -8.258
  262   HG23  VAL  38          HG23      VAL  38  28.773 -29.296  -7.556
  263    H    PHE  39           HN       PHE  39  30.120 -24.523  -9.457
  264    HA   PHE  39           HA       PHE  39  27.800 -23.005  -8.667
  265    HB2  PHE  39           HB2      PHE  39  30.215 -22.263  -8.395
  266    HB3  PHE  39           HB1      PHE  39  30.227 -21.967 -10.133
  267    HD1  PHE  39           HD1      PHE  39  28.485 -21.079  -6.960
  268    HD2  PHE  39           HD2      PHE  39  29.234 -20.017 -11.055
  269    HE1  PHE  39           HE1      PHE  39  27.381 -18.888  -6.595
  270    HE2  PHE  39           HE2      PHE  39  28.130 -17.828 -10.689
  271    HZ   PHE  39           HZ       PHE  39  27.203 -17.263  -8.459
  272    H    LEU  40           HN       LEU  40  29.600 -23.228 -11.749
  273    HA   LEU  40           HA       LEU  40  27.601 -21.917 -13.267
  274    HB2  LEU  40           HB2      LEU  40  28.825 -22.808 -15.237
  275    HB3  LEU  40           HB1      LEU  40  29.893 -22.033 -14.070
  276    HG   LEU  40           HG       LEU  40  29.857 -24.634 -13.167
  277   HD11  LEU  40          HD11      LEU  40  30.217 -26.050 -15.149
  278   HD12  LEU  40          HD12      LEU  40  29.866 -24.678 -16.201
  279   HD13  LEU  40          HD13      LEU  40  28.598 -25.350 -15.175
  280   HD21  LEU  40          HD21      LEU  40  31.718 -23.264 -15.130
  281   HD22  LEU  40          HD22      LEU  40  32.108 -24.768 -14.297
  282   HD23  LEU  40          HD23      LEU  40  31.860 -23.287 -13.372
  283    H    LEU  41           HN       LEU  41  27.591 -24.966 -11.873
  284    HA   LEU  41           HA       LEU  41  26.044 -26.301 -13.931
  285    HB2  LEU  41           HB2      LEU  41  27.307 -27.026 -11.404
  286    HB3  LEU  41           HB1      LEU  41  25.695 -27.717 -11.566
  287    HG   LEU  41           HG       LEU  41  27.769 -27.880 -13.764
  288   HD11  LEU  41          HD11      LEU  41  28.871 -29.335 -12.429
  289   HD12  LEU  41          HD12      LEU  41  27.496 -30.414 -12.660
  290   HD13  LEU  41          HD13      LEU  41  27.562 -29.360 -11.248
  291   HD21  LEU  41          HD21      LEU  41  26.157 -28.976 -14.915
  292   HD22  LEU  41          HD22      LEU  41  25.020 -28.394 -13.700
  293   HD23  LEU  41          HD23      LEU  41  25.759 -29.985 -13.526
  294    H    GLY  42           HN       GLY  42  25.403 -25.329 -10.561
  295    HA2  GLY  42           HA2      GLY  42  22.578 -25.624 -10.784
  296    HA3  GLY  42           HA1      GLY  42  23.435 -24.800  -9.484
  297    H    THR  43           HN       THR  43  24.640 -22.701 -10.574
  298    HA   THR  43           HA       THR  43  22.720 -20.755 -10.875
  299    HB   THR  43           HB       THR  43  25.543 -20.889 -11.923
  300    HG1  THR  43           HG1      THR  43  24.291 -20.240  -9.602
  301   HG21  THR  43          HG21      THR  43  24.560 -19.302 -13.370
  302   HG22  THR  43          HG22      THR  43  25.221 -18.327 -12.058
  303   HG23  THR  43          HG23      THR  43  23.494 -18.685 -12.108
  304    H    THR  44           HN       THR  44  23.475 -23.201 -13.082
  305    HA   THR  44           HA       THR  44  22.288 -21.704 -15.337
  306    HB   THR  44           HB       THR  44  24.161 -24.056 -15.203
  307    HG1  THR  44           HG1      THR  44  24.934 -22.461 -16.997
  308   HG21  THR  44          HG21      THR  44  22.278 -23.233 -17.395
  309   HG22  THR  44          HG22      THR  44  22.666 -24.853 -16.816
  310   HG23  THR  44          HG23      THR  44  23.835 -23.960 -17.790
  311    H    GLY  45           HN       GLY  45  21.960 -24.441 -13.220
  312    HA2  GLY  45           HA2      GLY  45  19.520 -25.290 -14.669
  313    HA3  GLY  45           HA1      GLY  45  20.527 -26.371 -13.712
  314    H    ASN  46           HN       ASN  46  20.115 -23.237 -12.418
  315    HA   ASN  46           HA       ASN  46  17.853 -24.069 -10.731
  316    HB2  ASN  46           HB2      ASN  46  19.074 -24.227  -8.858
  317    HB3  ASN  46           HB1      ASN  46  20.526 -24.099  -9.847
  318   HD21  ASN  46          HD21      ASN  46  21.356 -21.834 -10.248
  319   HD22  ASN  46          HD22      ASN  46  21.041 -20.635  -9.090
  320    H    GLY  47           HN       GLY  47  20.126 -21.466 -11.569
  321    HA2  GLY  47           HA2      GLY  47  18.492 -19.343 -10.610
  322    HA3  GLY  47           HA1      GLY  47  19.844 -19.184 -11.728
  323    H    LEU  48           HN       LEU  48  19.094 -20.595 -13.899
  324    HA   LEU  48           HA       LEU  48  17.508 -18.914 -15.379
  325    HB2  LEU  48           HB2      LEU  48  18.916 -20.779 -16.284
  326    HB3  LEU  48           HB1      LEU  48  17.672 -21.913 -15.764
  327    HG   LEU  48           HG       LEU  48  16.014 -20.702 -17.186
  328   HD11  LEU  48          HD11      LEU  48  17.339 -19.267 -19.019
  329   HD12  LEU  48          HD12      LEU  48  18.406 -18.972 -17.647
  330   HD13  LEU  48          HD13      LEU  48  16.701 -18.532 -17.549
  331   HD21  LEU  48          HD21      LEU  48  17.366 -21.276 -19.420
  332   HD22  LEU  48          HD22      LEU  48  16.785 -22.545 -18.342
  333   HD23  LEU  48          HD23      LEU  48  18.467 -22.023 -18.262
  334    H    VAL  49           HN       VAL  49  16.443 -21.939 -13.810
  335    HA   VAL  49           HA       VAL  49  13.723 -21.711 -14.484
  336    HB   VAL  49           HB       VAL  49  15.215 -23.157 -12.315
  337   HG11  VAL  49          HG11      VAL  49  13.234 -22.711 -11.134
  338   HG12  VAL  49          HG12      VAL  49  12.874 -24.246 -11.924
  339   HG13  VAL  49          HG13      VAL  49  12.246 -22.741 -12.595
  340   HG21  VAL  49          HG21      VAL  49  14.607 -25.089 -13.572
  341   HG22  VAL  49          HG22      VAL  49  15.081 -23.890 -14.775
  342   HG23  VAL  49          HG23      VAL  49  13.373 -24.208 -14.472
  343    H    LEU  50           HN       LEU  50  15.087 -21.220 -11.225
  344    HA   LEU  50           HA       LEU  50  12.929 -19.931 -10.087
  345    HB2  LEU  50           HB2      LEU  50  15.864 -19.388  -9.575
  346    HB3  LEU  50           HB1      LEU  50  14.543 -18.944  -8.497
  347    HG   LEU  50           HG       LEU  50  15.191 -21.778  -9.372
  348   HD11  LEU  50          HD11      LEU  50  16.810 -21.658  -7.805
  349   HD12  LEU  50          HD12      LEU  50  15.516 -21.544  -6.612
  350   HD13  LEU  50          HD13      LEU  50  16.254 -20.077  -7.254
  351   HD21  LEU  50          HD21      LEU  50  12.945 -21.898  -8.811
  352   HD22  LEU  50          HD22      LEU  50  13.036 -20.524  -7.709
  353   HD23  LEU  50          HD23      LEU  50  13.660 -22.096  -7.211
  354    H    TRP  51           HN       TRP  51  15.206 -18.720 -12.401
  355    HA   TRP  51           HA       TRP  51  14.595 -15.930 -11.951
  356    HB2  TRP  51           HB2      TRP  51  16.781 -16.481 -12.810
  357    HB3  TRP  51           HB1      TRP  51  16.077 -17.365 -14.164
  358    HD1  TRP  51           HD1      TRP  51  16.725 -13.846 -12.879
  359    HE1  TRP  51           HE1      TRP  51  16.306 -12.166 -14.789
  360    HE3  TRP  51           HE3      TRP  51  14.718 -16.972 -16.383
  361    HZ2  TRP  51           HZ2      TRP  51  15.259 -12.149 -17.451
  362    HZ3  TRP  51           HZ3      TRP  51  14.019 -16.098 -18.594
  363    HH2  TRP  51           HH2      TRP  51  14.287 -13.693 -19.131
  364    H    THR  52           HN       THR  52  13.686 -18.437 -14.282
  365    HA   THR  52           HA       THR  52  12.114 -16.730 -15.937
  366    HB   THR  52           HB       THR  52  12.383 -19.699 -15.600
  367    HG1  THR  52           HG1      THR  52  13.166 -19.506 -17.653
  368   HG21  THR  52          HG21      THR  52  10.747 -19.764 -17.618
  369   HG22  THR  52          HG22      THR  52  10.201 -18.195 -17.027
  370   HG23  THR  52          HG23      THR  52  10.068 -19.620 -15.996
  371    H    VAL  53           HN       VAL  53  11.273 -19.061 -13.375
  372    HA   VAL  53           HA       VAL  53   8.508 -18.752 -13.417
  373    HB   VAL  53           HB       VAL  53  10.411 -19.358 -11.154
  374   HG11  VAL  53          HG11      VAL  53   8.624 -18.607  -9.892
  375   HG12  VAL  53          HG12      VAL  53   8.094 -20.263 -10.194
  376   HG13  VAL  53          HG13      VAL  53   7.450 -18.939 -11.166
  377   HG21  VAL  53          HG21      VAL  53   9.567 -20.856 -13.315
  378   HG22  VAL  53          HG22      VAL  53   8.426 -21.331 -12.058
  379   HG23  VAL  53          HG23      VAL  53  10.159 -21.523 -11.793
  380    H    PHE  54           HN       PHE  54  10.943 -16.894 -11.608
  381    HA   PHE  54           HA       PHE  54   9.229 -15.230 -10.172
  382    HB2  PHE  54           HB2      PHE  54  12.024 -15.319 -10.803
  383    HB3  PHE  54           HB1      PHE  54  11.442 -13.664 -10.990
  384    HD1  PHE  54           HD1      PHE  54  10.278 -12.520  -9.098
  385    HD2  PHE  54           HD2      PHE  54  12.139 -16.365  -8.643
  386    HE1  PHE  54           HE1      PHE  54  10.221 -12.255  -6.633
  387    HE2  PHE  54           HE2      PHE  54  12.083 -16.100  -6.178
  388    HZ   PHE  54           HZ       PHE  54  11.124 -14.045  -5.172
  389    H    ARG  55           HN       ARG  55   9.922 -15.319 -13.546
  390    HA   ARG  55           HA       ARG  55   8.815 -12.635 -13.984
  391    HB2  ARG  55           HB2      ARG  55  10.418 -14.558 -15.608
  392    HB3  ARG  55           HB1      ARG  55   9.360 -13.434 -16.460
  393    HG2  ARG  55           HG2      ARG  55  10.509 -11.556 -15.694
  394    HG3  ARG  55           HG1      ARG  55  11.154 -12.400 -14.286
  395    HD2  ARG  55           HD2      ARG  55  12.662 -11.890 -16.441
  396    HD3  ARG  55           HD1      ARG  55  12.888 -13.337 -15.465
  397    HE   ARG  55           HE       ARG  55  12.041 -14.604 -17.227
  398   HH11  ARG  55          HH21      ARG  55  11.432 -11.228 -17.681
  399   HH12  ARG  55          HH22      ARG  55  10.867 -11.407 -19.308
  400   HH21  ARG  55          HH11      ARG  55  11.301 -14.847 -19.361
  401   HH22  ARG  55          HH12      ARG  55  10.792 -13.456 -20.260
  402    H    LYS  56           HN       LYS  56   7.718 -15.755 -13.668
  403    HA   LYS  56           HA       LYS  56   5.437 -15.293 -15.493
  404    HB2  LYS  56           HB2      LYS  56   5.420 -17.499 -16.034
  405    HB3  LYS  56           HB1      LYS  56   7.101 -17.428 -15.514
  406    HG2  LYS  56           HG2      LYS  56   6.279 -18.039 -13.174
  407    HG3  LYS  56           HG1      LYS  56   4.706 -18.366 -13.903
  408    HD2  LYS  56           HD2      LYS  56   7.145 -19.661 -15.089
  409    HD3  LYS  56           HD1      LYS  56   6.451 -20.318 -13.609
  410    HE2  LYS  56           HE2      LYS  56   4.794 -19.756 -16.077
  411    HE3  LYS  56           HE1      LYS  56   5.552 -21.318 -15.767
  412    HZ1  LYS  56           HZ1      LYS  56   4.364 -21.437 -13.667
  413    HZ2  LYS  56           HZ2      LYS  56   3.278 -21.268 -14.962
  414    HZ3  LYS  56           HZ3      LYS  56   3.633 -19.937 -13.969
  415    H    LYS  57           HN       LYS  57   6.444 -15.651 -12.236
  416    HA   LYS  57           HA       LYS  57   3.690 -16.115 -11.309
  417    HB2  LYS  57           HB2      LYS  57   4.662 -16.583  -9.147
  418    HB3  LYS  57           HB1      LYS  57   5.558 -17.491 -10.363
  419    HG2  LYS  57           HG2      LYS  57   7.408 -16.551  -9.454
  420    HG3  LYS  57           HG1      LYS  57   6.911 -15.088 -10.303
  421    HD2  LYS  57           HD2      LYS  57   7.209 -14.401  -8.050
  422    HD3  LYS  57           HD1      LYS  57   5.465 -14.580  -8.237
  423    HE2  LYS  57           HE2      LYS  57   6.242 -17.125  -7.503
  424    HE3  LYS  57           HE1      LYS  57   7.331 -16.108  -6.559
  425    HZ1  LYS  57           HZ1      LYS  57   4.849 -14.916  -6.407
  426    HZ2  LYS  57           HZ2      LYS  57   5.655 -15.765  -5.176
  427    HZ3  LYS  57           HZ3      LYS  57   4.561 -16.574  -6.194
  428    H    GLY  58           HN       GLY  58   6.131 -13.683 -11.596
  429    HA2  GLY  58           HA2      GLY  58   5.060 -11.901  -9.602
  430    HA3  GLY  58           HA1      GLY  58   6.282 -11.510 -10.810
  431    H    HIS  59           HN       HIS  59   4.529 -12.512 -12.994
  432    HA   HIS  59           HA       HIS  59   3.380 -10.101 -13.805
  433    HB2  HIS  59           HB2      HIS  59   3.766 -12.603 -14.935
  434    HB3  HIS  59           HB1      HIS  59   2.009 -12.438 -14.889
  435    HD2  HIS  59           HD2      HIS  59   5.073 -10.853 -16.727
  436    HE1  HIS  59           HE1      HIS  59   1.592  -8.932 -18.148
  437    HE2  HIS  59           HE2      HIS  59   4.094  -9.197 -18.493
  438    H    HIS  60           HN       HIS  60   2.245 -12.432 -11.570
  439    HA   HIS  60           HA       HIS  60  -0.534 -11.503 -11.773
  440    HB2  HIS  60           HB2      HIS  60   0.201 -13.984 -11.503
  441    HB3  HIS  60           HB1      HIS  60   0.453 -13.554  -9.811
  442    HD2  HIS  60           HD2      HIS  60  -2.574 -13.486 -12.395
  443    HE1  HIS  60           HE1      HIS  60  -4.110 -13.640  -8.465
  444    HE2  HIS  60           HE2      HIS  60  -4.728 -13.668 -10.928
  445    H    HIS  61           HN       HIS  61   0.744  -9.386 -11.014
  446    HA   HIS  61           HA       HIS  61   0.230  -9.190  -8.120
  447    HB2  HIS  61           HB2      HIS  61   2.772  -9.334  -8.972
  448    HB3  HIS  61           HB1      HIS  61   2.502  -7.606  -9.196
  449    HD2  HIS  61           HD2      HIS  61   1.717 -10.098  -6.166
  450    HE1  HIS  61           HE1      HIS  61   3.139  -6.426  -4.643
  451    HE2  HIS  61           HE2      HIS  61   2.322  -8.748  -4.015
  452    H    HIS  62           HN       HIS  62  -1.240  -8.403 -10.581
  453    HA   HIS  62           HA       HIS  62  -2.568  -6.646 -11.235
  454    HB2  HIS  62           HB2      HIS  62  -2.559  -6.340  -8.633
  455    HB3  HIS  62           HB1      HIS  62  -1.516  -4.964  -8.987
  456    HD2  HIS  62           HD2      HIS  62  -4.680  -4.473  -7.977
  457    HE1  HIS  62           HE1      HIS  62  -5.279  -3.231 -11.968
  458    HE2  HIS  62           HE2      HIS  62  -6.239  -3.169  -9.618
  459    H    HIS  63           HN       HIS  63  -1.745  -5.930 -13.119
  460    HA   HIS  63           HA       HIS  63  -0.447  -4.766 -14.621
  461    HB2  HIS  63           HB2      HIS  63  -1.686  -2.999 -13.061
  462    HB3  HIS  63           HB1      HIS  63  -0.025  -2.611 -12.607
  463    HD2  HIS  63           HD2      HIS  63   1.093  -0.797 -14.352
  464    HE1  HIS  63           HE1      HIS  63  -1.263  -1.673 -17.744
  465    HE2  HIS  63           HE2      HIS  63   0.584  -0.184 -16.839
  466    H    HIS  64           HN       HIS  64   0.982  -6.660 -13.131
  467    HA   HIS  64           HA       HIS  64   3.086  -7.209 -12.349
  468    HB2  HIS  64           HB2      HIS  64   4.849  -6.573 -13.893
  469    HB3  HIS  64           HB1      HIS  64   3.382  -6.929 -14.806
  470    HD2  HIS  64           HD2      HIS  64   5.602  -3.820 -13.875
  471    HE1  HIS  64           HE1      HIS  64   2.648  -2.556 -16.614
  472    HE2  HIS  64           HE2      HIS  64   4.749  -1.856 -15.370
  Start of MODEL   29
    1    H1   MET   1           HT1      MET   1  20.257 -19.458 -22.213
    2    H2   MET   1           HT2      MET   1  19.174 -19.482 -20.904
    3    H3   MET   1           HT3      MET   1  19.031 -20.628 -22.150
    4    HA   MET   1           HA       MET   1  20.070 -21.874 -20.555
    5    HB2  MET   1           HB2      MET   1  21.417 -21.562 -22.749
    6    HB3  MET   1           HB1      MET   1  22.503 -20.572 -21.773
    7    HG2  MET   1           HG2      MET   1  22.758 -22.473 -20.183
    8    HG3  MET   1           HG1      MET   1  21.750 -23.461 -21.241
    9    HE1  MET   1           HE1      MET   1  25.848 -24.091 -21.294
   10    HE2  MET   1           HE2      MET   1  24.399 -24.491 -20.373
   11    HE3  MET   1           HE3      MET   1  25.154 -22.910 -20.174
   12    H    GLU   2           HN       GLU   2  20.997 -18.502 -20.499
   13    HA   GLU   2           HA       GLU   2  21.113 -18.388 -17.676
   14    HB2  GLU   2           HB2      GLU   2  23.603 -17.847 -17.538
   15    HB3  GLU   2           HB1      GLU   2  23.183 -19.549 -17.742
   16    HG2  GLU   2           HG2      GLU   2  24.068 -19.651 -19.838
   17    HG3  GLU   2           HG1      GLU   2  23.503 -18.035 -20.261
   18    H    GLU   3           HN       GLU   3  19.670 -16.746 -18.864
   19    HA   GLU   3           HA       GLU   3  21.209 -14.293 -19.422
   20    HB2  GLU   3           HB2      GLU   3  18.435 -15.027 -20.378
   21    HB3  GLU   3           HB1      GLU   3  19.317 -13.553 -20.779
   22    HG2  GLU   3           HG2      GLU   3  20.414 -14.603 -22.436
   23    HG3  GLU   3           HG1      GLU   3  20.972 -15.850 -21.322
   24    H    GLY   4           HN       GLY   4  20.608 -12.390 -18.419
   25    HA2  GLY   4           HA2      GLY   4  18.407 -11.576 -17.132
   26    HA3  GLY   4           HA1      GLY   4  19.080 -12.704 -15.960
   27    H    GLY   5           HN       GLY   5  18.802  -9.597 -16.322
   28    HA2  GLY   5           HA2      GLY   5  21.273  -8.359 -16.418
   29    HA3  GLY   5           HA1      GLY   5  19.925  -7.788 -15.439
   30    H    ASP   6           HN       ASP   6  19.624  -8.984 -13.319
   31    HA   ASP   6           HA       ASP   6  20.528  -9.225 -11.204
   32    HB2  ASP   6           HB2      ASP   6  21.614 -11.293 -10.920
   33    HB3  ASP   6           HB1      ASP   6  20.619 -11.521 -12.355
   34    H    PHE   7           HN       PHE   7  21.708  -7.131 -12.689
   35    HA   PHE   7           HA       PHE   7  24.582  -7.269 -12.229
   36    HB2  PHE   7           HB2      PHE   7  24.724  -5.215 -13.384
   37    HB3  PHE   7           HB1      PHE   7  23.441  -6.099 -14.212
   38    HD1  PHE   7           HD2      PHE   7  21.018  -5.647 -13.536
   39    HD2  PHE   7           HD1      PHE   7  24.290  -3.128 -12.353
   40    HE1  PHE   7           HE2      PHE   7  19.425  -3.814 -13.029
   41    HE2  PHE   7           HE1      PHE   7  22.698  -1.297 -11.845
   42    HZ   PHE   7           HZ       PHE   7  20.265  -1.639 -12.183
   43    H    ASP   8           HN       ASP   8  25.570  -6.598 -10.438
   44    HA   ASP   8           HA       ASP   8  24.533  -4.426  -8.839
   45    HB2  ASP   8           HB2      ASP   8  23.710  -7.047  -8.194
   46    HB3  ASP   8           HB1      ASP   8  24.935  -6.608  -7.006
   47    H    ASN   9           HN       ASN   9  26.755  -7.201  -8.901
   48    HA   ASN   9           HA       ASN   9  28.875  -7.426  -7.977
   49    HB2  ASN   9           HB2      ASN   9  30.408  -5.738  -9.165
   50    HB3  ASN   9           HB1      ASN   9  29.431  -6.817 -10.160
   51   HD21  ASN   9          HD21      ASN   9  30.221  -3.542  -9.677
   52   HD22  ASN   9          HD22      ASN   9  28.935  -2.859 -10.549
   53    H    TYR  10           HN       TYR  10  29.226  -3.955  -8.287
   54    HA   TYR  10           HA       TYR  10  30.586  -3.428  -6.007
   55    HB2  TYR  10           HB2      TYR  10  29.849  -1.157  -6.147
   56    HB3  TYR  10           HB1      TYR  10  29.908  -1.773  -7.799
   57    HD1  TYR  10           HD2      TYR  10  27.637  -1.053  -4.941
   58    HD2  TYR  10           HD1      TYR  10  27.936  -1.949  -9.131
   59    HE1  TYR  10           HE2      TYR  10  25.230  -0.530  -5.225
   60    HE2  TYR  10           HE1      TYR  10  25.529  -1.426  -9.415
   61    HH   TYR  10           HH       TYR  10  23.555  -1.165  -8.239
   62    H    TYR  11           HN       TYR  11  30.223  -3.255  -3.862
   63    HA   TYR  11           HA       TYR  11  29.190  -3.708  -1.853
   64    HB2  TYR  11           HB2      TYR  11  28.212  -1.444  -2.697
   65    HB3  TYR  11           HB1      TYR  11  26.741  -2.377  -2.974
   66    HD1  TYR  11           HD1      TYR  11  29.254  -1.454  -0.381
   67    HD2  TYR  11           HD2      TYR  11  25.332  -3.015  -1.172
   68    HE1  TYR  11           HE1      TYR  11  28.716  -1.325   2.036
   69    HE2  TYR  11           HE2      TYR  11  24.792  -2.886   1.245
   70    HH   TYR  11           HH       TYR  11  26.236  -1.107   3.356
   71    H    GLY  12           HN       GLY  12  29.031  -5.843  -3.666
   72    HA2  GLY  12           HA2      GLY  12  26.990  -7.409  -2.497
   73    HA3  GLY  12           HA1      GLY  12  26.487  -6.915  -4.108
   74    H    ALA  13           HN       ALA  13  29.795  -7.050  -3.975
   75    HA   ALA  13           HA       ALA  13  29.871  -9.838  -4.966
   76    HB1  ALA  13           HB1      ALA  13  31.978  -8.628  -6.228
   77    HB2  ALA  13           HB2      ALA  13  30.777  -7.337  -6.222
   78    HB3  ALA  13           HB3      ALA  13  30.393  -8.893  -6.955
   79    H    ASP  14           HN       ASP  14  31.251  -7.372  -2.982
   80    HA   ASP  14           HA       ASP  14  33.576  -9.068  -2.349
   81    HB2  ASP  14           HB2      ASP  14  34.466  -7.076  -1.212
   82    HB3  ASP  14           HB1      ASP  14  34.066  -6.725  -2.893
   83    H    ASN  15           HN       ASN  15  30.504  -8.155  -1.201
   84    HA   ASN  15           HA       ASN  15  30.945  -8.337   1.596
   85    HB2  ASN  15           HB2      ASN  15  28.952  -7.271   0.560
   86    HB3  ASN  15           HB1      ASN  15  28.397  -8.867   0.055
   87   HD21  ASN  15          HD21      ASN  15  29.660  -7.408   3.118
   88   HD22  ASN  15          HD22      ASN  15  28.465  -8.103   4.103
   89    H    GLN  16           HN       GLN  16  30.435 -10.685  -0.926
   90    HA   GLN  16           HA       GLN  16  29.970 -12.843   0.995
   91    HB2  GLN  16           HB2      GLN  16  29.786 -14.249  -1.078
   92    HB3  GLN  16           HB1      GLN  16  28.621 -12.927  -1.000
   93    HG2  GLN  16           HG2      GLN  16  30.022 -11.560  -2.463
   94    HG3  GLN  16           HG1      GLN  16  31.261 -12.813  -2.485
   95   HE21  GLN  16          HE21      GLN  16  27.825 -13.652  -2.575
   96   HE22  GLN  16          HE22      GLN  16  27.822 -14.187  -4.186
   97    H    SER  17           HN       SER  17  32.470 -11.594  -1.126
   98    HA   SER  17           HA       SER  17  34.197 -13.890  -0.791
   99    HB2  SER  17           HB2      SER  17  34.581 -11.161  -2.018
  100    HB3  SER  17           HB1      SER  17  35.888 -12.334  -1.887
  101    HG   SER  17           HG       SER  17  33.398 -13.073  -2.972
  102    H    GLU  18           HN       GLU  18  33.860 -10.672   0.609
  103    HA   GLU  18           HA       GLU  18  36.181 -10.265   1.962
  104    HB2  GLU  18           HB2      GLU  18  33.347  -9.659   2.511
  105    HB3  GLU  18           HB1      GLU  18  34.401  -9.631   3.925
  106    HG2  GLU  18           HG2      GLU  18  35.863  -8.025   2.907
  107    HG3  GLU  18           HG1      GLU  18  35.065  -8.199   1.346
  108    H    CYS  19           HN       CYS  19  33.459 -11.816   3.637
  109    HA   CYS  19           HA       CYS  19  34.751 -12.856   5.796
  110    HB2  CYS  19           HB2      CYS  19  32.460 -13.221   5.827
  111    HB3  CYS  19           HB1      CYS  19  32.433 -13.845   4.178
  112    HG   CYS  19           HG       CYS  19  34.026 -15.809   5.651
  113    H    GLU  20           HN       GLU  20  34.734 -14.163   2.520
  114    HA   GLU  20           HA       GLU  20  36.576 -16.306   3.385
  115    HB2  GLU  20           HB2      GLU  20  35.372 -16.285   0.659
  116    HB3  GLU  20           HB1      GLU  20  35.747 -17.647   1.716
  117    HG2  GLU  20           HG2      GLU  20  33.875 -16.673   3.244
  118    HG3  GLU  20           HG1      GLU  20  33.375 -15.796   1.800
  119    H    TYR  21           HN       TYR  21  37.431 -13.568   3.016
  120    HA   TYR  21           HA       TYR  21  38.955 -13.674   0.502
  121    HB2  TYR  21           HB2      TYR  21  37.816 -11.575   0.908
  122    HB3  TYR  21           HB1      TYR  21  38.537 -11.449   2.512
  123    HD1  TYR  21           HD2      TYR  21  41.041 -11.202   2.730
  124    HD2  TYR  21           HD1      TYR  21  39.005 -10.890  -1.040
  125    HE1  TYR  21           HE2      TYR  21  43.025 -10.081   1.751
  126    HE2  TYR  21           HE1      TYR  21  40.988  -9.767  -2.019
  127    HH   TYR  21           HH       TYR  21  43.567  -9.776  -1.456
  128    H    THR  22           HN       THR  22  39.407 -13.313   4.007
  129    HA   THR  22           HA       THR  22  42.245 -13.231   3.932
  130    HB   THR  22           HB       THR  22  41.918 -14.042   6.390
  131    HG1  THR  22           HG1      THR  22  39.339 -13.093   6.138
  132   HG21  THR  22          HG21      THR  22  41.163 -11.757   7.028
  133   HG22  THR  22          HG22      THR  22  40.727 -11.459   5.345
  134   HG23  THR  22          HG23      THR  22  42.413 -11.730   5.785
  135    H    ASP  23           HN       ASP  23  40.056 -15.714   3.312
  136    HA   ASP  23           HA       ASP  23  41.998 -17.820   4.019
  137    HB2  ASP  23           HB2      ASP  23  39.065 -17.673   3.902
  138    HB3  ASP  23           HB1      ASP  23  39.742 -19.123   3.161
  139    H    TRP  24           HN       TRP  24  39.790 -16.873   1.379
  140    HA   TRP  24           HA       TRP  24  40.446 -18.608  -0.598
  141    HB2  TRP  24           HB2      TRP  24  38.970 -17.098  -1.442
  142    HB3  TRP  24           HB1      TRP  24  39.686 -15.751  -0.556
  143    HD1  TRP  24           HD1      TRP  24  40.264 -17.892  -3.698
  144    HE1  TRP  24           HE1      TRP  24  41.696 -16.532  -5.357
  145    HE3  TRP  24           HE3      TRP  24  41.292 -13.796  -0.826
  146    HZ2  TRP  24           HZ2      TRP  24  43.092 -14.038  -5.453
  147    HZ3  TRP  24           HZ3      TRP  24  42.674 -11.945  -1.725
  148    HH2  TRP  24           HH2      TRP  24  43.574 -12.061  -4.032
  149    H    LYS  25           HN       LYS  25  42.372 -15.798   0.392
  150    HA   LYS  25           HA       LYS  25  44.325 -15.745  -1.533
  151    HB2  LYS  25           HB2      LYS  25  44.064 -14.309   0.602
  152    HB3  LYS  25           HB1      LYS  25  45.056 -15.543   1.378
  153    HG2  LYS  25           HG2      LYS  25  46.798 -15.216  -0.353
  154    HG3  LYS  25           HG1      LYS  25  45.814 -13.951  -1.088
  155    HD2  LYS  25           HD2      LYS  25  45.913 -13.205   1.583
  156    HD3  LYS  25           HD1      LYS  25  47.536 -13.825   1.274
  157    HE2  LYS  25           HE2      LYS  25  47.709 -12.359  -0.714
  158    HE3  LYS  25           HE1      LYS  25  46.101 -11.720  -0.373
  159    HZ1  LYS  25           HZ1      LYS  25  48.282 -10.563   0.516
  160    HZ2  LYS  25           HZ2      LYS  25  48.059 -11.661   1.792
  161    HZ3  LYS  25           HZ3      LYS  25  46.837 -10.547   1.402
  162    H    SER  26           HN       SER  26  44.001 -18.001   1.156
  163    HA   SER  26           HA       SER  26  46.318 -19.523   0.118
  164    HB2  SER  26           HB2      SER  26  45.922 -18.602   2.667
  165    HB3  SER  26           HB1      SER  26  45.284 -20.241   2.774
  166    HG   SER  26           HG       SER  26  47.438 -20.436   3.120
  167    H    SER  27           HN       SER  27  42.942 -19.504   0.466
  168    HA   SER  27           HA       SER  27  42.788 -22.435   0.104
  169    HB2  SER  27           HB2      SER  27  40.605 -20.535   0.983
  170    HB3  SER  27           HB1      SER  27  40.503 -22.291   0.912
  171    HG   SER  27           HG       SER  27  41.578 -22.412   2.721
  172    H    GLY  28           HN       GLY  28  43.263 -20.151  -1.882
  173    HA2  GLY  28           HA2      GLY  28  40.882 -20.247  -3.553
  174    HA3  GLY  28           HA1      GLY  28  42.370 -19.369  -3.899
  175    H    ALA  29           HN       ALA  29  43.602 -22.176  -3.057
  176    HA   ALA  29           HA       ALA  29  43.735 -23.141  -5.819
  177    HB1  ALA  29           HB1      ALA  29  45.779 -22.776  -4.295
  178    HB2  ALA  29           HB2      ALA  29  45.692 -24.297  -5.184
  179    HB3  ALA  29           HB3      ALA  29  45.268 -24.250  -3.473
  180    H    LEU  30           HN       LEU  30  41.265 -23.542  -4.591
  181    HA   LEU  30           HA       LEU  30  40.880 -26.322  -4.993
  182    HB2  LEU  30           HB2      LEU  30  40.218 -26.955  -2.697
  183    HB3  LEU  30           HB1      LEU  30  41.928 -26.535  -2.793
  184    HG   LEU  30           HG       LEU  30  40.683 -24.099  -2.281
  185   HD11  LEU  30          HD11      LEU  30  39.433 -26.285  -0.588
  186   HD12  LEU  30          HD12      LEU  30  38.582 -25.289  -1.769
  187   HD13  LEU  30          HD13      LEU  30  39.258 -24.551  -0.316
  188   HD21  LEU  30          HD21      LEU  30  41.636 -24.491   0.049
  189   HD22  LEU  30          HD22      LEU  30  42.772 -24.733  -1.279
  190   HD23  LEU  30          HD23      LEU  30  42.038 -26.125  -0.481
  191    H    ILE  31           HN       ILE  31  39.733 -23.237  -3.800
  192    HA   ILE  31           HA       ILE  31  36.979 -23.961  -3.659
  193    HB   ILE  31           HB       ILE  31  38.473 -21.361  -3.619
  194   HG12  ILE  31          HG12      ILE  31  36.416 -22.535  -1.734
  195   HG13  ILE  31          HG11      ILE  31  38.141 -22.885  -1.607
  196   HG21  ILE  31          HG21      ILE  31  35.526 -21.796  -4.087
  197   HG22  ILE  31          HG22      ILE  31  36.616 -20.677  -4.907
  198   HG23  ILE  31          HG23      ILE  31  36.110 -20.360  -3.249
  199   HD11  ILE  31          HD11      ILE  31  37.239 -20.940  -0.178
  200   HD12  ILE  31          HD12      ILE  31  37.106 -20.050  -1.695
  201   HD13  ILE  31          HD13      ILE  31  38.680 -20.623  -1.143
  202    HA   PRO  32           HA       PRO  32  36.974 -21.815  -8.076
  203    HB2  PRO  32           HB2      PRO  32  39.372 -23.176  -9.176
  204    HB3  PRO  32           HB1      PRO  32  38.817 -21.508  -9.405
  205    HG2  PRO  32           HG2      PRO  32  40.926 -22.089  -7.880
  206    HG3  PRO  32           HG1      PRO  32  39.813 -20.769  -7.479
  207    HD2  PRO  32           HD2      PRO  32  40.032 -23.489  -6.248
  208    HD3  PRO  32           HD1      PRO  32  39.655 -21.933  -5.484
  209    H    ALA  33           HN       ALA  33  38.470 -25.026  -7.685
  210    HA   ALA  33           HA       ALA  33  37.258 -26.351  -9.811
  211    HB1  ALA  33           HB1      ALA  33  38.327 -28.126  -8.946
  212    HB2  ALA  33           HB2      ALA  33  37.403 -28.030  -7.446
  213    HB3  ALA  33           HB3      ALA  33  38.866 -27.065  -7.644
  214    H    ILE  34           HN       ILE  34  36.178 -26.508  -6.408
  215    HA   ILE  34           HA       ILE  34  33.733 -27.739  -6.846
  216    HB   ILE  34           HB       ILE  34  34.800 -25.921  -4.728
  217   HG12  ILE  34          HG12      ILE  34  35.040 -28.537  -5.068
  218   HG13  ILE  34          HG11      ILE  34  34.821 -27.861  -3.456
  219   HG21  ILE  34          HG21      ILE  34  32.555 -26.365  -3.520
  220   HG22  ILE  34          HG22      ILE  34  31.900 -26.661  -5.130
  221   HG23  ILE  34          HG23      ILE  34  32.589 -25.087  -4.733
  222   HD11  ILE  34          HD11      ILE  34  32.451 -28.686  -5.132
  223   HD12  ILE  34          HD12      ILE  34  32.539 -28.468  -3.383
  224   HD13  ILE  34          HD13      ILE  34  33.319 -29.857  -4.139
  225    H    TYR  35           HN       TYR  35  34.372 -24.235  -6.604
  226    HA   TYR  35           HA       TYR  35  31.898 -23.174  -6.981
  227    HB2  TYR  35           HB2      TYR  35  34.614 -22.332  -7.580
  228    HB3  TYR  35           HB1      TYR  35  33.460 -21.681  -8.744
  229    HD1  TYR  35           HD2      TYR  35  33.357 -22.429  -5.064
  230    HD2  TYR  35           HD1      TYR  35  32.765 -19.527  -8.175
  231    HE1  TYR  35           HE2      TYR  35  32.593 -20.778  -3.378
  232    HE2  TYR  35           HE1      TYR  35  32.002 -17.876  -6.490
  233    HH   TYR  35           HH       TYR  35  32.558 -18.119  -3.299
  234    H    MET  36           HN       MET  36  34.072 -24.131  -9.644
  235    HA   MET  36           HA       MET  36  32.347 -23.661 -11.768
  236    HB2  MET  36           HB2      MET  36  34.665 -25.483 -11.316
  237    HB3  MET  36           HB1      MET  36  33.670 -25.751 -12.748
  238    HG2  MET  36           HG2      MET  36  35.629 -24.162 -13.075
  239    HG3  MET  36           HG1      MET  36  34.053 -23.520 -13.540
  240    HE1  MET  36           HE1      MET  36  34.040 -20.281 -11.972
  241    HE2  MET  36           HE2      MET  36  32.950 -21.518 -12.594
  242    HE3  MET  36           HE3      MET  36  34.432 -21.139 -13.469
  243    H    LEU  37           HN       LEU  37  32.983 -26.898 -10.391
  244    HA   LEU  37           HA       LEU  37  30.878 -28.211 -11.638
  245    HB2  LEU  37           HB2      LEU  37  32.821 -29.177 -10.243
  246    HB3  LEU  37           HB1      LEU  37  31.767 -28.920  -8.852
  247    HG   LEU  37           HG       LEU  37  30.052 -30.135 -10.618
  248   HD11  LEU  37          HD11      LEU  37  32.017 -30.508 -12.154
  249   HD12  LEU  37          HD12      LEU  37  31.206 -31.992 -11.653
  250   HD13  LEU  37          HD13      LEU  37  32.731 -31.524 -10.902
  251   HD21  LEU  37          HD21      LEU  37  31.882 -31.301  -8.503
  252   HD22  LEU  37          HD22      LEU  37  30.577 -32.222  -9.252
  253   HD23  LEU  37          HD23      LEU  37  30.208 -30.778  -8.310
  254    H    VAL  38           HN       VAL  38  30.740 -25.865  -9.167
  255    HA   VAL  38           HA       VAL  38  27.950 -26.633  -8.526
  256    HB   VAL  38           HB       VAL  38  29.934 -25.064  -6.864
  257   HG11  VAL  38          HG11      VAL  38  26.993 -25.506  -6.694
  258   HG12  VAL  38          HG12      VAL  38  27.961 -24.144  -6.127
  259   HG13  VAL  38          HG13      VAL  38  27.904 -25.637  -5.190
  260   HG21  VAL  38          HG21      VAL  38  29.596 -27.051  -5.322
  261   HG22  VAL  38          HG22      VAL  38  30.458 -27.419  -6.817
  262   HG23  VAL  38          HG23      VAL  38  28.755 -27.849  -6.651
  263    H    PHE  39           HN       PHE  39  29.498 -24.710 -10.555
  264    HA   PHE  39           HA       PHE  39  27.623 -22.448 -10.180
  265    HB2  PHE  39           HB2      PHE  39  29.905 -21.713  -9.750
  266    HB3  PHE  39           HB1      PHE  39  30.437 -22.388 -11.289
  267    HD1  PHE  39           HD2      PHE  39  27.866 -20.032  -9.905
  268    HD2  PHE  39           HD1      PHE  39  30.494 -20.991 -13.164
  269    HE1  PHE  39           HE2      PHE  39  27.231 -17.920 -11.038
  270    HE2  PHE  39           HE1      PHE  39  29.859 -18.879 -14.298
  271    HZ   PHE  39           HZ       PHE  39  28.228 -17.343 -13.234
  272    H    LEU  40           HN       LEU  40  28.766 -24.937 -12.236
  273    HA   LEU  40           HA       LEU  40  27.353 -23.737 -14.543
  274    HB2  LEU  40           HB2      LEU  40  28.724 -25.158 -15.974
  275    HB3  LEU  40           HB1      LEU  40  29.753 -24.174 -14.936
  276    HG   LEU  40           HG       LEU  40  29.341 -26.421 -13.390
  277   HD11  LEU  40          HD11      LEU  40  28.251 -27.575 -15.287
  278   HD12  LEU  40          HD12      LEU  40  29.786 -28.341 -14.879
  279   HD13  LEU  40          HD13      LEU  40  29.676 -27.278 -16.283
  280   HD21  LEU  40          HD21      LEU  40  31.483 -25.228 -13.788
  281   HD22  LEU  40          HD22      LEU  40  31.563 -25.933 -15.402
  282   HD23  LEU  40          HD23      LEU  40  31.672 -26.970 -13.981
  283    H    LEU  41           HN       LEU  41  26.899 -25.869 -12.106
  284    HA   LEU  41           HA       LEU  41  25.369 -27.776 -13.762
  285    HB2  LEU  41           HB2      LEU  41  26.958 -28.025 -11.321
  286    HB3  LEU  41           HB1      LEU  41  25.370 -28.773 -11.182
  287    HG   LEU  41           HG       LEU  41  27.295 -29.277 -13.473
  288   HD11  LEU  41          HD11      LEU  41  26.854 -31.585 -11.857
  289   HD12  LEU  41          HD12      LEU  41  27.330 -30.268 -10.786
  290   HD13  LEU  41          HD13      LEU  41  28.369 -30.727 -12.135
  291   HD21  LEU  41          HD21      LEU  41  24.506 -29.841 -13.067
  292   HD22  LEU  41          HD22      LEU  41  25.395 -31.363 -13.050
  293   HD23  LEU  41          HD23      LEU  41  25.522 -30.284 -14.439
  294    H    GLY  42           HN       GLY  42  25.145 -26.191 -10.565
  295    HA2  GLY  42           HA2      GLY  42  22.220 -26.349 -10.725
  296    HA3  GLY  42           HA1      GLY  42  23.161 -25.963  -9.289
  297    H    THR  43           HN       THR  43  24.424 -24.240 -11.849
  298    HA   THR  43           HA       THR  43  22.624 -21.940 -11.407
  299    HB   THR  43           HB       THR  43  25.435 -21.209 -11.753
  300    HG1  THR  43           HG1      THR  43  24.602 -22.509  -9.377
  301   HG21  THR  43          HG21      THR  43  24.875 -19.608 -10.053
  302   HG22  THR  43          HG22      THR  43  23.462 -20.542  -9.560
  303   HG23  THR  43          HG23      THR  43  23.480 -19.728 -11.125
  304    H    THR  44           HN       THR  44  22.825 -23.845 -13.606
  305    HA   THR  44           HA       THR  44  23.454 -21.928 -15.764
  306    HB   THR  44           HB       THR  44  24.321 -24.789 -15.485
  307    HG1  THR  44           HG1      THR  44  25.713 -22.980 -15.071
  308   HG21  THR  44          HG21      THR  44  24.862 -24.541 -18.016
  309   HG22  THR  44          HG22      THR  44  23.598 -23.312 -18.008
  310   HG23  THR  44          HG23      THR  44  23.217 -24.973 -17.553
  311    H    GLY  45           HN       GLY  45  21.713 -24.854 -14.786
  312    HA2  GLY  45           HA2      GLY  45  19.552 -24.118 -16.672
  313    HA3  GLY  45           HA1      GLY  45  20.066 -25.789 -16.460
  314    H    ASN  46           HN       ASN  46  20.184 -23.842 -13.653
  315    HA   ASN  46           HA       ASN  46  17.621 -24.971 -12.692
  316    HB2  ASN  46           HB2      ASN  46  20.315 -24.825 -11.367
  317    HB3  ASN  46           HB1      ASN  46  18.840 -24.884 -10.403
  318   HD21  ASN  46          HD21      ASN  46  21.070 -26.795 -12.227
  319   HD22  ASN  46          HD22      ASN  46  20.207 -28.255 -12.152
  320    H    GLY  47           HN       GLY  47  20.071 -22.478 -11.963
  321    HA2  GLY  47           HA2      GLY  47  18.384 -20.823 -10.427
  322    HA3  GLY  47           HA1      GLY  47  19.861 -20.305 -11.235
  323    H    LEU  48           HN       LEU  48  19.304 -20.634 -13.870
  324    HA   LEU  48           HA       LEU  48  17.935 -18.352 -14.600
  325    HB2  LEU  48           HB2      LEU  48  19.373 -19.475 -16.179
  326    HB3  LEU  48           HB1      LEU  48  18.363 -20.918 -16.150
  327    HG   LEU  48           HG       LEU  48  16.538 -19.743 -17.228
  328   HD11  LEU  48          HD11      LEU  48  18.260 -17.330 -16.686
  329   HD12  LEU  48          HD12      LEU  48  16.550 -17.569 -16.325
  330   HD13  LEU  48          HD13      LEU  48  17.071 -17.308 -17.989
  331   HD21  LEU  48          HD21      LEU  48  17.485 -19.491 -19.361
  332   HD22  LEU  48          HD22      LEU  48  18.662 -20.515 -18.538
  333   HD23  LEU  48          HD23      LEU  48  18.970 -18.788 -18.722
  334    H    VAL  49           HN       VAL  49  16.683 -21.694 -14.612
  335    HA   VAL  49           HA       VAL  49  14.065 -21.083 -15.416
  336    HB   VAL  49           HB       VAL  49  15.269 -23.349 -13.845
  337   HG11  VAL  49          HG11      VAL  49  12.909 -24.393 -14.291
  338   HG12  VAL  49          HG12      VAL  49  12.371 -22.714 -14.346
  339   HG13  VAL  49          HG13      VAL  49  13.130 -23.349 -12.887
  340   HG21  VAL  49          HG21      VAL  49  13.877 -23.198 -16.538
  341   HG22  VAL  49          HG22      VAL  49  14.709 -24.602 -15.869
  342   HG23  VAL  49          HG23      VAL  49  15.626 -23.161 -16.312
  343    H    LEU  50           HN       LEU  50  14.961 -22.078 -12.111
  344    HA   LEU  50           HA       LEU  50  12.698 -21.253 -10.796
  345    HB2  LEU  50           HB2      LEU  50  15.576 -21.260  -9.879
  346    HB3  LEU  50           HB1      LEU  50  14.231 -20.904  -8.795
  347    HG   LEU  50           HG       LEU  50  14.006 -23.351 -10.484
  348   HD11  LEU  50          HD11      LEU  50  16.182 -23.837  -9.790
  349   HD12  LEU  50          HD12      LEU  50  15.233 -24.511  -8.465
  350   HD13  LEU  50          HD13      LEU  50  16.009 -22.938  -8.283
  351   HD21  LEU  50          HD21      LEU  50  12.870 -24.177  -8.476
  352   HD22  LEU  50          HD22      LEU  50  12.230 -22.591  -8.905
  353   HD23  LEU  50          HD23      LEU  50  13.377 -22.747  -7.576
  354    H    TRP  51           HN       TRP  51  15.273 -19.295 -12.077
  355    HA   TRP  51           HA       TRP  51  14.549 -16.907 -10.624
  356    HB2  TRP  51           HB2      TRP  51  16.844 -17.163 -11.336
  357    HB3  TRP  51           HB1      TRP  51  16.345 -17.367 -13.015
  358    HD1  TRP  51           HD1      TRP  51  16.777 -14.738 -10.305
  359    HE1  TRP  51           HE1      TRP  51  16.600 -12.397 -11.371
  360    HE3  TRP  51           HE3      TRP  51  15.287 -16.023 -15.018
  361    HZ2  TRP  51           HZ2      TRP  51  15.918 -11.224 -13.889
  362    HZ3  TRP  51           HZ3      TRP  51  14.881 -14.276 -16.729
  363    HH2  TRP  51           HH2      TRP  51  15.195 -11.881 -16.170
  364    H    THR  52           HN       THR  52  14.118 -18.113 -13.941
  365    HA   THR  52           HA       THR  52  12.715 -15.836 -14.896
  366    HB   THR  52           HB       THR  52  12.864 -18.700 -15.841
  367    HG1  THR  52           HG1      THR  52  13.946 -16.217 -16.654
  368   HG21  THR  52          HG21      THR  52  10.758 -18.042 -16.656
  369   HG22  THR  52          HG22      THR  52  11.851 -17.623 -17.976
  370   HG23  THR  52          HG23      THR  52  11.268 -16.368 -16.882
  371    H    VAL  53           HN       VAL  53  11.578 -19.036 -13.803
  372    HA   VAL  53           HA       VAL  53   8.845 -18.644 -14.076
  373    HB   VAL  53           HB       VAL  53  10.389 -20.209 -12.000
  374   HG11  VAL  53          HG11      VAL  53   8.375 -20.180 -10.912
  375   HG12  VAL  53          HG12      VAL  53   7.961 -21.405 -12.112
  376   HG13  VAL  53          HG13      VAL  53   7.482 -19.726 -12.364
  377   HG21  VAL  53          HG21      VAL  53  10.216 -22.005 -13.462
  378   HG22  VAL  53          HG22      VAL  53  10.339 -20.677 -14.615
  379   HG23  VAL  53          HG23      VAL  53   8.763 -21.370 -14.233
  380    H    PHE  54           HN       PHE  54  10.832 -18.047 -11.170
  381    HA   PHE  54           HA       PHE  54   8.906 -17.035  -9.478
  382    HB2  PHE  54           HB2      PHE  54  11.828 -16.680  -9.781
  383    HB3  PHE  54           HB1      PHE  54  10.998 -15.430  -8.853
  384    HD1  PHE  54           HD1      PHE  54  10.353 -19.105  -9.208
  385    HD2  PHE  54           HD2      PHE  54  11.346 -15.859  -6.576
  386    HE1  PHE  54           HE1      PHE  54  10.212 -20.638  -7.263
  387    HE2  PHE  54           HE2      PHE  54  11.205 -17.391  -4.632
  388    HZ   PHE  54           HZ       PHE  54  10.639 -19.781  -4.975
  389    H    ARG  55           HN       ARG  55  10.783 -15.275 -11.930
  390    HA   ARG  55           HA       ARG  55   9.437 -12.779 -11.426
  391    HB2  ARG  55           HB2      ARG  55  11.603 -13.759 -13.148
  392    HB3  ARG  55           HB1      ARG  55  10.598 -12.521 -13.904
  393    HG2  ARG  55           HG2      ARG  55  11.024 -10.960 -12.157
  394    HG3  ARG  55           HG1      ARG  55  11.692 -12.207 -11.103
  395    HD2  ARG  55           HD2      ARG  55  13.189 -10.538 -12.695
  396    HD3  ARG  55           HD1      ARG  55  13.739 -12.087 -12.063
  397    HE   ARG  55           HE       ARG  55  13.499 -13.000 -14.201
  398   HH11  ARG  55          HH21      ARG  55  12.078  -9.854 -13.971
  399   HH12  ARG  55          HH22      ARG  55  11.833  -9.687 -15.678
  400   HH21  ARG  55          HH11      ARG  55  13.181 -12.790 -16.441
  401   HH22  ARG  55          HH12      ARG  55  12.458 -11.350 -17.076
  402    H    LYS  56           HN       LYS  56   8.957 -15.533 -13.495
  403    HA   LYS  56           HA       LYS  56   7.319 -14.351 -15.469
  404    HB2  LYS  56           HB2      LYS  56   8.383 -16.691 -15.452
  405    HB3  LYS  56           HB1      LYS  56   7.001 -17.177 -14.469
  406    HG2  LYS  56           HG2      LYS  56   5.978 -17.541 -16.464
  407    HG3  LYS  56           HG1      LYS  56   5.774 -15.789 -16.491
  408    HD2  LYS  56           HD2      LYS  56   7.937 -15.573 -17.690
  409    HD3  LYS  56           HD1      LYS  56   8.086 -17.330 -17.707
  410    HE2  LYS  56           HE2      LYS  56   5.723 -15.852 -18.890
  411    HE3  LYS  56           HE1      LYS  56   7.133 -16.338 -19.831
  412    HZ1  LYS  56           HZ1      LYS  56   6.369 -18.562 -18.387
  413    HZ2  LYS  56           HZ2      LYS  56   6.186 -18.310 -20.058
  414    HZ3  LYS  56           HZ3      LYS  56   4.927 -17.902 -18.992
  415    H    LYS  57           HN       LYS  57   6.385 -16.249 -12.589
  416    HA   LYS  57           HA       LYS  57   3.630 -15.363 -12.833
  417    HB2  LYS  57           HB2      LYS  57   5.106 -17.234 -11.001
  418    HB3  LYS  57           HB1      LYS  57   3.475 -16.689 -10.603
  419    HG2  LYS  57           HG2      LYS  57   2.516 -17.870 -12.314
  420    HG3  LYS  57           HG1      LYS  57   3.893 -17.629 -13.390
  421    HD2  LYS  57           HD2      LYS  57   5.144 -19.366 -12.353
  422    HD3  LYS  57           HD1      LYS  57   4.055 -19.426 -10.965
  423    HE2  LYS  57           HE2      LYS  57   2.540 -20.733 -12.052
  424    HE3  LYS  57           HE1      LYS  57   2.754 -19.879 -13.580
  425    HZ1  LYS  57           HZ1      LYS  57   3.983 -21.578 -14.249
  426    HZ2  LYS  57           HZ2      LYS  57   3.929 -22.306 -12.715
  427    HZ3  LYS  57           HZ3      LYS  57   5.141 -21.172 -13.079
  428    H    GLY  58           HN       GLY  58   6.472 -14.237 -11.367
  429    HA2  GLY  58           HA2      GLY  58   5.220 -12.937  -9.104
  430    HA3  GLY  58           HA1      GLY  58   6.892 -12.752  -9.625
  431    H    HIS  59           HN       HIS  59   6.104 -12.122 -12.395
  432    HA   HIS  59           HA       HIS  59   6.090  -9.337 -12.279
  433    HB2  HIS  59           HB2      HIS  59   5.719 -11.384 -14.359
  434    HB3  HIS  59           HB1      HIS  59   4.933  -9.843 -14.709
  435    HD2  HIS  59           HD2      HIS  59   8.455 -10.217 -12.904
  436    HE1  HIS  59           HE1      HIS  59   8.967  -8.031 -16.479
  437    HE2  HIS  59           HE2      HIS  59  10.134  -8.876 -14.388
  438    H    HIS  60           HN       HIS  60   3.528 -11.542 -11.779
  439    HA   HIS  60           HA       HIS  60   1.435  -9.610 -12.421
  440    HB2  HIS  60           HB2      HIS  60   1.372 -12.451 -11.390
  441    HB3  HIS  60           HB1      HIS  60  -0.076 -11.467 -11.611
  442    HD2  HIS  60           HD2      HIS  60   1.293 -14.120 -13.607
  443    HE1  HIS  60           HE1      HIS  60   0.628 -11.152 -16.535
  444    HE2  HIS  60           HE2      HIS  60   1.081 -13.623 -16.162
  445    H    HIS  61           HN       HIS  61   0.424 -11.454  -9.868
  446    HA   HIS  61           HA       HIS  61   1.401  -9.750  -7.728
  447    HB2  HIS  61           HB2      HIS  61  -0.635  -8.637  -8.962
  448    HB3  HIS  61           HB1      HIS  61  -1.575  -9.826  -8.061
  449    HD2  HIS  61           HD2      HIS  61   0.384  -9.610  -5.280
  450    HE1  HIS  61           HE1      HIS  61  -1.012  -5.626  -5.262
  451    HE2  HIS  61           HE2      HIS  61   0.083  -7.440  -3.861
  452    H    HIS  62           HN       HIS  62  -1.473 -11.786  -8.321
  453    HA   HIS  62           HA       HIS  62  -0.451 -13.937  -6.703
  454    HB2  HIS  62           HB2      HIS  62  -2.237 -13.789  -4.976
  455    HB3  HIS  62           HB1      HIS  62  -1.101 -12.442  -4.900
  456    HD2  HIS  62           HD2      HIS  62  -4.863 -12.950  -5.115
  457    HE1  HIS  62           HE1      HIS  62  -4.170  -9.028  -6.514
  458    HE2  HIS  62           HE2      HIS  62  -5.955 -10.665  -5.750
  459    H    HIS  63           HN       HIS  63  -3.600 -12.509  -7.613
  460    HA   HIS  63           HA       HIS  63  -4.429 -15.149  -8.621
  461    HB2  HIS  63           HB2      HIS  63  -5.897 -14.016  -6.964
  462    HB3  HIS  63           HB1      HIS  63  -6.108 -12.685  -8.103
  463    HD2  HIS  63           HD2      HIS  63  -6.977 -16.561  -7.963
  464    HE1  HIS  63           HE1      HIS  63  -9.473 -14.694 -10.810
  465    HE2  HIS  63           HE2      HIS  63  -8.975 -16.878  -9.613
  466    H    HIS  64           HN       HIS  64  -2.576 -13.754 -10.183
  467    HA   HIS  64           HA       HIS  64  -2.229 -12.831 -12.272
  468    HB2  HIS  64           HB2      HIS  64  -2.974 -15.077 -12.872
  469    HB3  HIS  64           HB1      HIS  64  -4.659 -14.558 -12.801
  470    HD2  HIS  64           HD2      HIS  64  -5.597 -13.576 -15.211
  471    HE1  HIS  64           HE1      HIS  64  -1.864 -12.880 -17.058
  472    HE2  HIS  64           HE2      HIS  64  -4.381 -12.830 -17.398
  Start of MODEL   30
    1    H1   MET   1           HT1      MET   1  24.223 -12.927  32.228
    2    H2   MET   1           HT2      MET   1  25.206 -13.659  31.051
    3    H3   MET   1           HT3      MET   1  23.590 -14.149  31.237
    4    HA   MET   1           HA       MET   1  22.755 -12.130  30.387
    5    HB2  MET   1           HB2      MET   1  25.619 -11.149  30.257
    6    HB3  MET   1           HB1      MET   1  24.153 -10.221  29.940
    7    HG2  MET   1           HG2      MET   1  23.627 -11.121  32.452
    8    HG3  MET   1           HG1      MET   1  25.384 -10.984  32.525
    9    HE1  MET   1           HE1      MET   1  22.236  -7.761  32.515
   10    HE2  MET   1           HE2      MET   1  22.258  -9.366  33.241
   11    HE3  MET   1           HE3      MET   1  22.076  -9.199  31.497
   12    H    GLU   2           HN       GLU   2  23.797 -10.996  28.114
   13    HA   GLU   2           HA       GLU   2  24.112 -13.354  26.393
   14    HB2  GLU   2           HB2      GLU   2  23.430 -10.477  25.745
   15    HB3  GLU   2           HB1      GLU   2  23.556 -11.774  24.557
   16    HG2  GLU   2           HG2      GLU   2  21.865 -12.558  26.786
   17    HG3  GLU   2           HG1      GLU   2  21.276 -11.078  26.030
   18    H    GLU   3           HN       GLU   3  25.319 -12.332  24.196
   19    HA   GLU   3           HA       GLU   3  28.050 -12.493  24.786
   20    HB2  GLU   3           HB2      GLU   3  26.695 -11.265  22.372
   21    HB3  GLU   3           HB1      GLU   3  28.401 -11.704  22.468
   22    HG2  GLU   3           HG2      GLU   3  26.164 -13.681  22.962
   23    HG3  GLU   3           HG1      GLU   3  26.897 -13.439  21.377
   24    H    GLY   4           HN       GLY   4  29.651 -10.724  24.089
   25    HA2  GLY   4           HA2      GLY   4  28.858  -7.987  24.517
   26    HA3  GLY   4           HA1      GLY   4  29.734  -8.669  25.885
   27    H    GLY   5           HN       GLY   5  29.949  -8.246  22.358
   28    HA2  GLY   5           HA2      GLY   5  32.795  -7.594  22.654
   29    HA3  GLY   5           HA1      GLY   5  32.363  -8.910  21.567
   30    H    ASP   6           HN       ASP   6  33.555  -7.278  20.115
   31    HA   ASP   6           HA       ASP   6  31.558  -5.942  18.512
   32    HB2  ASP   6           HB2      ASP   6  32.192  -4.274  20.329
   33    HB3  ASP   6           HB1      ASP   6  33.797  -4.237  19.603
   34    H    PHE   7           HN       PHE   7  32.942  -8.042  17.703
   35    HA   PHE   7           HA       PHE   7  34.331  -8.828  16.053
   36    HB2  PHE   7           HB2      PHE   7  33.417  -6.270  15.201
   37    HB3  PHE   7           HB1      PHE   7  35.119  -6.410  14.756
   38    HD1  PHE   7           HD2      PHE   7  35.865  -8.607  13.599
   39    HD2  PHE   7           HD1      PHE   7  31.769  -7.354  13.922
   40    HE1  PHE   7           HE2      PHE   7  35.254 -10.123  11.734
   41    HE2  PHE   7           HE1      PHE   7  31.158  -8.870  12.056
   42    HZ   PHE   7           HZ       PHE   7  32.901 -10.253  10.963
   43    H    ASP   8           HN       ASP   8  36.236  -9.569  16.733
   44    HA   ASP   8           HA       ASP   8  38.126  -7.965  18.163
   45    HB2  ASP   8           HB2      ASP   8  39.595 -10.004  17.893
   46    HB3  ASP   8           HB1      ASP   8  38.040 -10.302  18.670
   47    H    ASN   9           HN       ASN   9  37.790  -9.047  14.830
   48    HA   ASN   9           HA       ASN   9  39.101  -8.676  12.959
   49    HB2  ASN   9           HB2      ASN   9  37.943  -6.420  13.685
   50    HB3  ASN   9           HB1      ASN   9  39.601  -5.923  14.016
   51   HD21  ASN   9          HD21      ASN   9  38.178  -4.653  11.934
   52   HD22  ASN   9          HD22      ASN   9  38.841  -5.121  10.441
   53    H    TYR  10           HN       TYR  10  41.232  -6.814  12.628
   54    HA   TYR  10           HA       TYR  10  43.538  -6.894  12.660
   55    HB2  TYR  10           HB2      TYR  10  42.687  -5.913  14.988
   56    HB3  TYR  10           HB1      TYR  10  43.484  -7.363  15.598
   57    HD1  TYR  10           HD1      TYR  10  44.086  -4.607  13.118
   58    HD2  TYR  10           HD2      TYR  10  45.767  -7.228  16.078
   59    HE1  TYR  10           HE1      TYR  10  46.290  -3.504  12.843
   60    HE2  TYR  10           HE2      TYR  10  47.970  -6.125  15.803
   61    HH   TYR  10           HH       TYR  10  48.607  -3.912  13.223
   62    H    TYR  11           HN       TYR  11  45.151  -8.227  14.662
   63    HA   TYR  11           HA       TYR  11  45.573 -10.699  13.399
   64    HB2  TYR  11           HB2      TYR  11  47.166  -9.346  14.901
   65    HB3  TYR  11           HB1      TYR  11  46.360 -10.145  16.251
   66    HD1  TYR  11           HD2      TYR  11  48.338 -10.714  13.160
   67    HD2  TYR  11           HD1      TYR  11  46.747 -12.455  16.751
   68    HE1  TYR  11           HE2      TYR  11  49.722 -12.739  12.791
   69    HE2  TYR  11           HE1      TYR  11  48.132 -14.480  16.381
   70    HH   TYR  11           HH       TYR  11  50.706 -14.624  14.482
   71    H    GLY  12           HN       GLY  12  43.283 -11.417  13.383
   72    HA2  GLY  12           HA2      GLY  12  42.862 -13.547  15.184
   73    HA3  GLY  12           HA1      GLY  12  41.847 -12.188  15.661
   74    H    ALA  13           HN       ALA  13  41.581 -11.231  12.902
   75    HA   ALA  13           HA       ALA  13  39.584 -13.198  11.976
   76    HB1  ALA  13           HB1      ALA  13  38.721 -10.954  12.558
   77    HB2  ALA  13           HB2      ALA  13  38.508 -11.313  10.844
   78    HB3  ALA  13           HB3      ALA  13  39.808 -10.240  11.367
   79    H    ASP  14           HN       ASP  14  42.522 -11.581  11.173
   80    HA   ASP  14           HA       ASP  14  42.347 -12.509   8.374
   81    HB2  ASP  14           HB2      ASP  14  44.023 -10.388   9.713
   82    HB3  ASP  14           HB1      ASP  14  44.375 -10.988   8.095
   83    H    ASN  15           HN       ASN  15  43.846 -13.085  11.396
   84    HA   ASN  15           HA       ASN  15  46.336 -14.124  10.663
   85    HB2  ASN  15           HB2      ASN  15  46.008 -13.876  12.966
   86    HB3  ASN  15           HB1      ASN  15  44.447 -14.692  12.930
   87   HD21  ASN  15          HD21      ASN  15  47.954 -15.227  12.900
   88   HD22  ASN  15          HD22      ASN  15  47.873 -16.893  13.210
   89    H    GLN  16           HN       GLN  16  43.132 -15.443  10.324
   90    HA   GLN  16           HA       GLN  16  44.102 -18.128   9.742
   91    HB2  GLN  16           HB2      GLN  16  41.806 -18.752   9.584
   92    HB3  GLN  16           HB1      GLN  16  41.916 -17.628  10.940
   93    HG2  GLN  16           HG2      GLN  16  40.160 -16.634   9.848
   94    HG3  GLN  16           HG1      GLN  16  41.471 -15.859   8.961
   95   HE21  GLN  16          HE21      GLN  16  40.691 -15.774   6.827
   96   HE22  GLN  16          HE22      GLN  16  40.107 -17.119   5.972
   97    H    SER  17           HN       SER  17  43.881 -15.254   8.076
   98    HA   SER  17           HA       SER  17  43.180 -16.448   5.501
   99    HB2  SER  17           HB2      SER  17  43.134 -14.227   4.652
  100    HB3  SER  17           HB1      SER  17  42.400 -14.141   6.250
  101    HG   SER  17           HG       SER  17  44.099 -12.543   5.695
  102    H    GLU  18           HN       GLU  18  45.869 -14.447   6.743
  103    HA   GLU  18           HA       GLU  18  47.657 -14.713   4.686
  104    HB2  GLU  18           HB2      GLU  18  48.504 -14.937   7.575
  105    HB3  GLU  18           HB1      GLU  18  49.389 -14.208   6.235
  106    HG2  GLU  18           HG2      GLU  18  47.268 -12.659   6.059
  107    HG3  GLU  18           HG1      GLU  18  47.013 -13.149   7.732
  108    H    CYS  19           HN       CYS  19  47.362 -16.933   7.465
  109    HA   CYS  19           HA       CYS  19  49.296 -18.787   6.704
  110    HB2  CYS  19           HB2      CYS  19  48.075 -18.739   8.895
  111    HB3  CYS  19           HB1      CYS  19  46.679 -19.436   8.074
  112    HG   CYS  19           HG       CYS  19  48.941 -21.218   7.429
  113    H    GLU  20           HN       GLU  20  46.037 -18.309   5.532
  114    HA   GLU  20           HA       GLU  20  46.099 -20.795   3.992
  115    HB2  GLU  20           HB2      GLU  20  43.995 -18.647   4.324
  116    HB3  GLU  20           HB1      GLU  20  43.805 -20.055   3.278
  117    HG2  GLU  20           HG2      GLU  20  44.483 -20.273   6.219
  118    HG3  GLU  20           HG1      GLU  20  42.828 -20.300   5.613
  119    H    TYR  21           HN       TYR  21  47.046 -17.574   3.643
  120    HA   TYR  21           HA       TYR  21  46.482 -17.229   0.854
  121    HB2  TYR  21           HB2      TYR  21  46.862 -15.335   2.425
  122    HB3  TYR  21           HB1      TYR  21  48.552 -15.824   2.557
  123    HD1  TYR  21           HD2      TYR  21  45.975 -14.407   0.335
  124    HD2  TYR  21           HD1      TYR  21  50.101 -15.545   0.696
  125    HE1  TYR  21           HE2      TYR  21  46.501 -13.161  -1.745
  126    HE2  TYR  21           HE1      TYR  21  50.627 -14.299  -1.383
  127    HH   TYR  21           HH       TYR  21  48.419 -13.375  -3.579
  128    H    THR  22           HN       THR  22  49.578 -17.680   2.581
  129    HA   THR  22           HA       THR  22  51.182 -18.139   0.357
  130    HB   THR  22           HB       THR  22  52.592 -19.511   2.012
  131    HG1  THR  22           HG1      THR  22  51.412 -20.128   3.637
  132   HG21  THR  22          HG21      THR  22  52.754 -17.292   3.511
  133   HG22  THR  22          HG22      THR  22  51.784 -16.651   2.185
  134   HG23  THR  22          HG23      THR  22  53.368 -17.355   1.859
  135    H    ASP  23           HN       ASP  23  48.709 -20.096   1.658
  136    HA   ASP  23           HA       ASP  23  49.744 -22.528   0.370
  137    HB2  ASP  23           HB2      ASP  23  48.373 -22.127   2.749
  138    HB3  ASP  23           HB1      ASP  23  47.135 -22.741   1.654
  139    H    TRP  24           HN       TRP  24  46.833 -20.476   0.425
  140    HA   TRP  24           HA       TRP  24  45.245 -21.689  -1.435
  141    HB2  TRP  24           HB2      TRP  24  44.195 -19.803  -0.725
  142    HB3  TRP  24           HB1      TRP  24  45.697 -18.885  -0.614
  143    HD1  TRP  24           HD1      TRP  24  43.017 -19.964  -3.121
  144    HE1  TRP  24           HE1      TRP  24  43.179 -18.455  -5.204
  145    HE3  TRP  24           HE3      TRP  24  47.266 -17.363  -1.997
  146    HZ2  TRP  24           HZ2      TRP  24  44.885 -16.413  -6.255
  147    HZ3  TRP  24           HZ3      TRP  24  48.136 -15.644  -3.555
  148    HH2  TRP  24           HH2      TRP  24  46.952 -15.166  -5.681
  149    H    LYS  25           HN       LYS  25  47.913 -19.434  -2.139
  150    HA   LYS  25           HA       LYS  25  47.750 -19.288  -4.881
  151    HB2  LYS  25           HB2      LYS  25  49.425 -18.130  -3.374
  152    HB3  LYS  25           HB1      LYS  25  50.361 -19.626  -3.399
  153    HG2  LYS  25           HG2      LYS  25  50.556 -19.515  -5.827
  154    HG3  LYS  25           HG1      LYS  25  49.521 -18.087  -5.871
  155    HD2  LYS  25           HD2      LYS  25  51.219 -16.941  -4.371
  156    HD3  LYS  25           HD1      LYS  25  52.283 -18.319  -4.657
  157    HE2  LYS  25           HE2      LYS  25  51.534 -16.110  -6.471
  158    HE3  LYS  25           HE1      LYS  25  52.994 -17.098  -6.443
  159    HZ1  LYS  25           HZ1      LYS  25  51.726 -18.914  -7.430
  160    HZ2  LYS  25           HZ2      LYS  25  51.707 -17.537  -8.424
  161    HZ3  LYS  25           HZ3      LYS  25  50.344 -17.932  -7.490
  162    H    SER  26           HN       SER  26  48.765 -21.988  -2.916
  163    HA   SER  26           HA       SER  26  49.628 -23.480  -5.300
  164    HB2  SER  26           HB2      SER  26  50.544 -23.404  -2.632
  165    HB3  SER  26           HB1      SER  26  49.803 -24.987  -2.853
  166    HG   SER  26           HG       SER  26  51.766 -23.769  -4.510
  167    H    SER  27           HN       SER  27  47.316 -23.603  -2.617
  168    HA   SER  27           HA       SER  27  46.099 -26.052  -3.539
  169    HB2  SER  27           HB2      SER  27  45.349 -24.033  -1.425
  170    HB3  SER  27           HB1      SER  27  44.353 -25.436  -1.797
  171    HG   SER  27           HG       SER  27  46.777 -25.255  -0.494
  172    H    GLY  28           HN       GLY  28  46.140 -23.153  -4.926
  173    HA2  GLY  28           HA2      GLY  28  43.291 -22.862  -5.483
  174    HA3  GLY  28           HA1      GLY  28  44.584 -21.817  -6.065
  175    H    ALA  29           HN       ALA  29  45.541 -24.955  -6.524
  176    HA   ALA  29           HA       ALA  29  44.682 -24.891  -9.349
  177    HB1  ALA  29           HB1      ALA  29  47.160 -24.871  -8.765
  178    HB2  ALA  29           HB2      ALA  29  46.641 -26.136  -9.878
  179    HB3  ALA  29           HB3      ALA  29  46.940 -26.521  -8.184
  180    H    LEU  30           HN       LEU  30  42.920 -25.834  -7.313
  181    HA   LEU  30           HA       LEU  30  42.136 -28.313  -8.432
  182    HB2  LEU  30           HB2      LEU  30  42.486 -29.750  -6.431
  183    HB3  LEU  30           HB1      LEU  30  43.998 -29.250  -7.186
  184    HG   LEU  30           HG       LEU  30  43.381 -27.216  -5.343
  185   HD11  LEU  30          HD11      LEU  30  43.122 -28.452  -3.232
  186   HD12  LEU  30          HD12      LEU  30  43.045 -29.973  -4.121
  187   HD13  LEU  30          HD13      LEU  30  41.760 -28.778  -4.305
  188   HD21  LEU  30          HD21      LEU  30  45.306 -29.558  -5.263
  189   HD22  LEU  30          HD22      LEU  30  45.374 -28.201  -4.138
  190   HD23  LEU  30          HD23      LEU  30  45.633 -27.931  -5.861
  191    H    ILE  31           HN       ILE  31  41.946 -25.959  -5.846
  192    HA   ILE  31           HA       ILE  31  39.434 -26.891  -4.826
  193    HB   ILE  31           HB       ILE  31  40.786 -24.210  -4.454
  194   HG12  ILE  31          HG12      ILE  31  41.875 -26.515  -3.688
  195   HG13  ILE  31          HG11      ILE  31  41.906 -25.105  -2.633
  196   HG21  ILE  31          HG21      ILE  31  38.522 -23.915  -3.864
  197   HG22  ILE  31          HG22      ILE  31  39.314 -24.295  -2.335
  198   HG23  ILE  31          HG23      ILE  31  38.395 -25.538  -3.186
  199   HD11  ILE  31          HD11      ILE  31  39.635 -27.091  -2.515
  200   HD12  ILE  31          HD12      ILE  31  40.138 -25.922  -1.295
  201   HD13  ILE  31          HD13      ILE  31  41.125 -27.348  -1.610
  202    HA   PRO  32           HA       PRO  32  37.917 -23.100  -7.557
  203    HB2  PRO  32           HB2      PRO  32  39.412 -23.779 -10.027
  204    HB3  PRO  32           HB1      PRO  32  39.073 -22.192  -9.314
  205    HG2  PRO  32           HG2      PRO  32  41.508 -23.282  -9.238
  206    HG3  PRO  32           HG1      PRO  32  40.882 -22.282  -7.915
  207    HD2  PRO  32           HD2      PRO  32  41.173 -25.258  -8.054
  208    HD3  PRO  32           HD1      PRO  32  41.382 -24.167  -6.668
  209    H    ALA  33           HN       ALA  33  38.897 -26.216  -8.935
  210    HA   ALA  33           HA       ALA  33  36.985 -26.688 -10.829
  211    HB1  ALA  33           HB1      ALA  33  38.544 -28.370  -8.988
  212    HB2  ALA  33           HB2      ALA  33  38.263 -28.552 -10.720
  213    HB3  ALA  33           HB3      ALA  33  37.055 -29.116  -9.566
  214    H    ILE  34           HN       ILE  34  36.558 -27.978  -7.533
  215    HA   ILE  34           HA       ILE  34  33.888 -28.561  -7.638
  216    HB   ILE  34           HB       ILE  34  35.682 -27.661  -5.419
  217   HG12  ILE  34          HG12      ILE  34  35.370 -30.045  -6.535
  218   HG13  ILE  34          HG11      ILE  34  35.592 -29.895  -4.793
  219   HG21  ILE  34          HG21      ILE  34  32.674 -27.893  -5.313
  220   HG22  ILE  34          HG22      ILE  34  33.705 -26.623  -4.650
  221   HG23  ILE  34          HG23      ILE  34  33.666 -28.211  -3.888
  222   HD11  ILE  34          HD11      ILE  34  32.832 -29.867  -6.016
  223   HD12  ILE  34          HD12      ILE  34  33.295 -30.227  -4.353
  224   HD13  ILE  34          HD13      ILE  34  33.646 -31.384  -5.636
  225    H    TYR  35           HN       TYR  35  35.241 -25.460  -6.495
  226    HA   TYR  35           HA       TYR  35  32.989 -24.023  -5.990
  227    HB2  TYR  35           HB2      TYR  35  35.697 -23.391  -6.845
  228    HB3  TYR  35           HB1      TYR  35  34.527 -22.218  -7.450
  229    HD1  TYR  35           HD2      TYR  35  36.024 -23.726  -4.439
  230    HD2  TYR  35           HD1      TYR  35  33.200 -20.850  -5.926
  231    HE1  TYR  35           HE2      TYR  35  35.875 -22.707  -2.184
  232    HE2  TYR  35           HE1      TYR  35  33.051 -19.831  -3.670
  233    HH   TYR  35           HH       TYR  35  33.562 -20.118  -1.487
  234    H    MET  36           HN       MET  36  34.456 -24.467  -9.206
  235    HA   MET  36           HA       MET  36  32.418 -23.053 -10.595
  236    HB2  MET  36           HB2      MET  36  34.667 -24.865 -11.377
  237    HB3  MET  36           HB1      MET  36  33.423 -24.478 -12.566
  238    HG2  MET  36           HG2      MET  36  34.870 -22.361 -10.960
  239    HG3  MET  36           HG1      MET  36  35.425 -22.908 -12.542
  240    HE1  MET  36           HE1      MET  36  32.764 -19.560 -11.765
  241    HE2  MET  36           HE2      MET  36  34.396 -20.030 -11.297
  242    HE3  MET  36           HE3      MET  36  33.011 -20.783 -10.510
  243    H    LEU  37           HN       LEU  37  33.182 -26.542 -10.672
  244    HA   LEU  37           HA       LEU  37  30.938 -27.462 -11.951
  245    HB2  LEU  37           HB2      LEU  37  32.983 -28.768 -11.059
  246    HB3  LEU  37           HB1      LEU  37  32.042 -28.945  -9.578
  247    HG   LEU  37           HG       LEU  37  30.168 -29.615 -11.444
  248   HD11  LEU  37          HD11      LEU  37  32.718 -30.883 -12.452
  249   HD12  LEU  37          HD12      LEU  37  32.073 -29.406 -13.169
  250   HD13  LEU  37          HD13      LEU  37  31.122 -30.891 -13.202
  251   HD21  LEU  37          HD21      LEU  37  30.680 -31.964 -10.820
  252   HD22  LEU  37          HD22      LEU  37  30.735 -30.893  -9.419
  253   HD23  LEU  37          HD23      LEU  37  32.234 -31.441 -10.170
  254    H    VAL  38           HN       VAL  38  31.062 -25.915  -8.927
  255    HA   VAL  38           HA       VAL  38  28.429 -26.986  -8.134
  256    HB   VAL  38           HB       VAL  38  30.613 -25.564  -6.622
  257   HG11  VAL  38          HG11      VAL  38  28.894 -25.785  -4.681
  258   HG12  VAL  38          HG12      VAL  38  27.685 -25.853  -5.963
  259   HG13  VAL  38          HG13      VAL  38  28.718 -24.432  -5.799
  260   HG21  VAL  38          HG21      VAL  38  30.747 -28.013  -6.809
  261   HG22  VAL  38          HG22      VAL  38  29.093 -28.161  -6.216
  262   HG23  VAL  38          HG23      VAL  38  30.359 -27.551  -5.152
  263    H    PHE  39           HN       PHE  39  30.034 -24.193  -9.365
  264    HA   PHE  39           HA       PHE  39  27.781 -22.435  -8.703
  265    HB2  PHE  39           HB2      PHE  39  30.121 -21.626  -8.400
  266    HB3  PHE  39           HB1      PHE  39  30.363 -21.781 -10.140
  267    HD1  PHE  39           HD1      PHE  39  28.298 -20.079  -7.546
  268    HD2  PHE  39           HD2      PHE  39  29.584 -20.118 -11.645
  269    HE1  PHE  39           HE1      PHE  39  27.270 -17.848  -7.890
  270    HE2  PHE  39           HE2      PHE  39  28.556 -17.887 -11.989
  271    HZ   PHE  39           HZ       PHE  39  27.398 -16.752 -10.111
  272    H    LEU  40           HN       LEU  40  28.807 -24.472 -11.201
  273    HA   LEU  40           HA       LEU  40  27.295 -22.958 -13.231
  274    HB2  LEU  40           HB2      LEU  40  28.416 -24.327 -14.888
  275    HB3  LEU  40           HB1      LEU  40  29.616 -23.659 -13.792
  276    HG   LEU  40           HG       LEU  40  29.310 -25.854 -12.437
  277   HD11  LEU  40          HD11      LEU  40  27.635 -26.407 -14.772
  278   HD12  LEU  40          HD12      LEU  40  27.795 -27.299 -13.265
  279   HD13  LEU  40          HD13      LEU  40  28.923 -27.593 -14.583
  280   HD21  LEU  40          HD21      LEU  40  30.830 -27.017 -14.296
  281   HD22  LEU  40          HD22      LEU  40  31.413 -25.641 -13.359
  282   HD23  LEU  40          HD23      LEU  40  30.788 -25.397 -14.991
  283    H    LEU  41           HN       LEU  41  26.914 -25.388 -11.002
  284    HA   LEU  41           HA       LEU  41  25.016 -26.935 -12.629
  285    HB2  LEU  41           HB2      LEU  41  26.795 -27.576 -10.497
  286    HB3  LEU  41           HB1      LEU  41  25.152 -27.864  -9.932
  287    HG   LEU  41           HG       LEU  41  26.315 -28.938 -12.520
  288   HD11  LEU  41          HD11      LEU  41  26.087 -31.141 -11.306
  289   HD12  LEU  41          HD12      LEU  41  25.779 -30.226  -9.831
  290   HD13  LEU  41          HD13      LEU  41  27.332 -30.077 -10.652
  291   HD21  LEU  41          HD21      LEU  41  24.006 -30.344 -11.683
  292   HD22  LEU  41          HD22      LEU  41  24.155 -29.279 -13.081
  293   HD23  LEU  41          HD23      LEU  41  23.615 -28.631 -11.533
  294    H    GLY  42           HN       GLY  42  25.182 -25.131  -9.560
  295    HA2  GLY  42           HA2      GLY  42  22.249 -25.171  -9.384
  296    HA3  GLY  42           HA1      GLY  42  23.356 -24.709  -8.096
  297    H    THR  43           HN       THR  43  24.454 -23.276 -10.882
  298    HA   THR  43           HA       THR  43  22.789 -20.863 -10.503
  299    HB   THR  43           HB       THR  43  25.514 -20.178 -11.178
  300    HG1  THR  43           HG1      THR  43  25.164 -21.392  -8.653
  301   HG21  THR  43          HG21      THR  43  23.700 -18.718 -10.225
  302   HG22  THR  43          HG22      THR  43  25.222 -18.641  -9.337
  303   HG23  THR  43          HG23      THR  43  23.876 -19.589  -8.701
  304    H    THR  44           HN       THR  44  22.842 -23.024 -12.544
  305    HA   THR  44           HA       THR  44  23.245 -21.292 -14.904
  306    HB   THR  44           HB       THR  44  23.857 -24.253 -14.798
  307    HG1  THR  44           HG1      THR  44  26.010 -23.544 -14.934
  308   HG21  THR  44          HG21      THR  44  24.932 -23.695 -17.020
  309   HG22  THR  44          HG22      THR  44  24.148 -22.118 -16.921
  310   HG23  THR  44          HG23      THR  44  23.172 -23.584 -17.002
  311    H    GLY  45           HN       GLY  45  21.728 -24.273 -13.687
  312    HA2  GLY  45           HA2      GLY  45  19.494 -23.846 -15.576
  313    HA3  GLY  45           HA1      GLY  45  19.931 -25.395 -14.863
  314    H    ASN  46           HN       ASN  46  20.354 -23.378 -12.388
  315    HA   ASN  46           HA       ASN  46  17.634 -23.848 -11.362
  316    HB2  ASN  46           HB2      ASN  46  20.317 -23.495 -10.064
  317    HB3  ASN  46           HB1      ASN  46  18.837 -23.232  -9.143
  318   HD21  ASN  46          HD21      ASN  46  20.918 -25.666 -10.528
  319   HD22  ASN  46          HD22      ASN  46  20.002 -27.009 -10.037
  320    H    GLY  47           HN       GLY  47  20.185 -21.354 -11.176
  321    HA2  GLY  47           HA2      GLY  47  18.596 -19.297 -10.136
  322    HA3  GLY  47           HA1      GLY  47  20.060 -19.057 -11.085
  323    H    LEU  48           HN       LEU  48  19.322 -20.132 -13.520
  324    HA   LEU  48           HA       LEU  48  17.973 -18.015 -14.754
  325    HB2  LEU  48           HB2      LEU  48  19.483 -19.647 -15.905
  326    HB3  LEU  48           HB1      LEU  48  18.207 -20.855 -15.778
  327    HG   LEU  48           HG       LEU  48  16.687 -19.345 -17.058
  328   HD11  LEU  48          HD11      LEU  48  18.165 -17.550 -18.383
  329   HD12  LEU  48          HD12      LEU  48  19.092 -17.579 -16.885
  330   HD13  LEU  48          HD13      LEU  48  17.381 -17.155 -16.854
  331   HD21  LEU  48          HD21      LEU  48  19.299 -20.302 -18.202
  332   HD22  LEU  48          HD22      LEU  48  18.141 -19.466 -19.237
  333   HD23  LEU  48          HD23      LEU  48  17.679 -20.963 -18.427
  334    H    VAL  49           HN       VAL  49  16.787 -21.259 -13.883
  335    HA   VAL  49           HA       VAL  49  14.160 -20.933 -14.830
  336    HB   VAL  49           HB       VAL  49  15.410 -22.700 -12.742
  337   HG11  VAL  49          HG11      VAL  49  12.499 -22.258 -13.350
  338   HG12  VAL  49          HG12      VAL  49  13.281 -22.503 -11.789
  339   HG13  VAL  49          HG13      VAL  49  13.066 -23.864 -12.890
  340   HG21  VAL  49          HG21      VAL  49  15.712 -23.095 -15.218
  341   HG22  VAL  49          HG22      VAL  49  13.966 -23.316 -15.336
  342   HG23  VAL  49          HG23      VAL  49  14.933 -24.429 -14.367
  343    H    LEU  50           HN       LEU  50  15.067 -21.028 -11.384
  344    HA   LEU  50           HA       LEU  50  12.814 -19.995 -10.265
  345    HB2  LEU  50           HB2      LEU  50  15.694 -19.490  -9.507
  346    HB3  LEU  50           HB1      LEU  50  14.333 -18.993  -8.502
  347    HG   LEU  50           HG       LEU  50  14.358 -21.815  -9.470
  348   HD11  LEU  50          HD11      LEU  50  15.771 -22.413  -7.452
  349   HD12  LEU  50          HD12      LEU  50  16.195 -20.706  -7.331
  350   HD13  LEU  50          HD13      LEU  50  16.652 -21.628  -8.763
  351   HD21  LEU  50          HD21      LEU  50  12.579 -20.651  -8.017
  352   HD22  LEU  50          HD22      LEU  50  13.777 -20.696  -6.722
  353   HD23  LEU  50          HD23      LEU  50  13.190 -22.200  -7.433
  354    H    TRP  51           HN       TRP  51  15.252 -18.250 -12.069
  355    HA   TRP  51           HA       TRP  51  14.312 -15.630 -11.337
  356    HB2  TRP  51           HB2      TRP  51  16.613 -15.879 -12.022
  357    HB3  TRP  51           HB1      TRP  51  16.127 -16.593 -13.559
  358    HD1  TRP  51           HD1      TRP  51  16.345 -13.275 -11.718
  359    HE1  TRP  51           HE1      TRP  51  15.954 -11.357 -13.396
  360    HE3  TRP  51           HE3      TRP  51  14.935 -15.965 -15.823
  361    HZ2  TRP  51           HZ2      TRP  51  15.150 -11.009 -16.119
  362    HZ3  TRP  51           HZ3      TRP  51  14.363 -14.817 -17.943
  363    HH2  TRP  51           HH2      TRP  51  14.468 -12.344 -18.096
  364    H    THR  52           HN       THR  52  14.072 -17.630 -14.282
  365    HA   THR  52           HA       THR  52  12.413 -15.843 -15.715
  366    HB   THR  52           HB       THR  52  13.040 -18.771 -15.937
  367    HG1  THR  52           HG1      THR  52  13.338 -17.420 -18.160
  368   HG21  THR  52          HG21      THR  52  11.656 -18.573 -18.130
  369   HG22  THR  52          HG22      THR  52  10.846 -17.236 -17.314
  370   HG23  THR  52          HG23      THR  52  10.792 -18.856 -16.619
  371    H    VAL  53           HN       VAL  53  11.693 -18.580 -13.583
  372    HA   VAL  53           HA       VAL  53   8.914 -18.670 -13.983
  373    HB   VAL  53           HB       VAL  53  10.721 -19.501 -11.733
  374   HG11  VAL  53          HG11      VAL  53   8.537 -20.620 -10.854
  375   HG12  VAL  53          HG12      VAL  53   7.713 -19.356 -11.769
  376   HG13  VAL  53          HG13      VAL  53   8.825 -18.924 -10.469
  377   HG21  VAL  53          HG21      VAL  53   8.776 -21.242 -13.203
  378   HG22  VAL  53          HG22      VAL  53  10.370 -21.640 -12.562
  379   HG23  VAL  53          HG23      VAL  53  10.226 -20.706 -14.050
  380    H    PHE  54           HN       PHE  54  10.858 -16.882 -11.605
  381    HA   PHE  54           HA       PHE  54   8.744 -15.725 -10.170
  382    HB2  PHE  54           HB2      PHE  54  11.617 -15.361 -10.402
  383    HB3  PHE  54           HB1      PHE  54  10.786 -13.819 -10.193
  384    HD1  PHE  54           HD2      PHE  54  11.048 -17.268  -8.784
  385    HD2  PHE  54           HD1      PHE  54   9.921 -13.182  -8.089
  386    HE1  PHE  54           HE2      PHE  54  10.714 -17.769  -6.378
  387    HE2  PHE  54           HE1      PHE  54   9.587 -13.683  -5.684
  388    HZ   PHE  54           HZ       PHE  54   9.983 -15.977  -4.828
  389    H    ARG  55           HN       ARG  55   9.756 -15.203 -13.373
  390    HA   ARG  55           HA       ARG  55   8.371 -12.591 -13.487
  391    HB2  ARG  55           HB2      ARG  55  10.647 -13.779 -15.012
  392    HB3  ARG  55           HB1      ARG  55   9.585 -12.644 -15.844
  393    HG2  ARG  55           HG2      ARG  55  10.212 -10.862 -14.515
  394    HG3  ARG  55           HG1      ARG  55  10.551 -11.886 -13.119
  395    HD2  ARG  55           HD2      ARG  55  12.268 -12.189 -15.551
  396    HD3  ARG  55           HD1      ARG  55  12.525 -10.791 -14.511
  397    HE   ARG  55           HE       ARG  55  13.274 -13.478 -13.925
  398   HH11  ARG  55          HH21      ARG  55  12.009 -10.567 -12.549
  399   HH12  ARG  55          HH22      ARG  55  12.615 -10.890 -10.959
  400   HH21  ARG  55          HH11      ARG  55  14.069 -13.912 -11.841
  401   HH22  ARG  55          HH12      ARG  55  13.782 -12.784 -10.558
  402    H    LYS  56           HN       LYS  56   7.658 -15.714 -13.852
  403    HA   LYS  56           HA       LYS  56   5.885 -15.227 -16.172
  404    HB2  LYS  56           HB2      LYS  56   6.407 -17.239 -17.074
  405    HB3  LYS  56           HB1      LYS  56   7.867 -17.082 -16.105
  406    HG2  LYS  56           HG2      LYS  56   6.618 -18.280 -14.231
  407    HG3  LYS  56           HG1      LYS  56   5.346 -18.621 -15.405
  408    HD2  LYS  56           HD2      LYS  56   8.178 -19.334 -16.105
  409    HD3  LYS  56           HD1      LYS  56   7.279 -20.370 -15.001
  410    HE2  LYS  56           HE2      LYS  56   6.012 -19.490 -17.580
  411    HE3  LYS  56           HE1      LYS  56   7.149 -20.837 -17.574
  412    HZ1  LYS  56           HZ1      LYS  56   4.705 -21.369 -17.234
  413    HZ2  LYS  56           HZ2      LYS  56   4.886 -20.712 -15.678
  414    HZ3  LYS  56           HZ3      LYS  56   5.803 -22.064 -16.145
  415    H    LYS  57           HN       LYS  57   6.224 -16.369 -12.906
  416    HA   LYS  57           HA       LYS  57   3.390 -17.162 -12.822
  417    HB2  LYS  57           HB2      LYS  57   5.179 -18.687 -11.891
  418    HB3  LYS  57           HB1      LYS  57   5.464 -17.470 -10.645
  419    HG2  LYS  57           HG2      LYS  57   2.693 -17.779 -10.658
  420    HG3  LYS  57           HG1      LYS  57   3.306 -19.421 -10.860
  421    HD2  LYS  57           HD2      LYS  57   4.159 -17.478  -8.692
  422    HD3  LYS  57           HD1      LYS  57   3.079 -18.855  -8.469
  423    HE2  LYS  57           HE2      LYS  57   4.899 -20.122  -8.074
  424    HE3  LYS  57           HE1      LYS  57   5.346 -19.897  -9.765
  425    HZ1  LYS  57           HZ1      LYS  57   7.149 -18.914  -8.918
  426    HZ2  LYS  57           HZ2      LYS  57   6.441 -18.678  -7.391
  427    HZ3  LYS  57           HZ3      LYS  57   6.135 -17.581  -8.652
  428    H    GLY  58           HN       GLY  58   5.710 -14.877 -11.491
  429    HA2  GLY  58           HA2      GLY  58   3.808 -13.709  -9.645
  430    HA3  GLY  58           HA1      GLY  58   5.435 -13.124  -9.985
  431    H    HIS  59           HN       HIS  59   4.960 -13.113 -12.898
  432    HA   HIS  59           HA       HIS  59   4.174 -10.451 -13.242
  433    HB2  HIS  59           HB2      HIS  59   4.641 -10.787 -15.447
  434    HB3  HIS  59           HB1      HIS  59   5.346 -12.285 -14.841
  435    HD2  HIS  59           HD2      HIS  59   2.855 -14.255 -14.571
  436    HE1  HIS  59           HE1      HIS  59   1.657 -12.988 -18.416
  437    HE2  HIS  59           HE2      HIS  59   1.358 -14.783 -16.645
  438    H    HIS  60           HN       HIS  60   2.291 -13.321 -12.905
  439    HA   HIS  60           HA       HIS  60  -0.039 -12.826 -14.266
  440    HB2  HIS  60           HB2      HIS  60   0.663 -14.693 -12.498
  441    HB3  HIS  60           HB1      HIS  60  -0.311 -13.686 -11.425
  442    HD2  HIS  60           HD2      HIS  60  -0.857 -16.390 -14.069
  443    HE1  HIS  60           HE1      HIS  60  -4.575 -14.440 -13.620
  444    HE2  HIS  60           HE2      HIS  60  -3.410 -16.465 -14.616
  445    H    HIS  61           HN       HIS  61   0.982 -11.422 -11.175
  446    HA   HIS  61           HA       HIS  61  -0.988  -9.275 -11.577
  447    HB2  HIS  61           HB2      HIS  61  -0.570 -10.634  -8.909
  448    HB3  HIS  61           HB1      HIS  61  -1.748  -9.379  -9.297
  449    HD2  HIS  61           HD2      HIS  61  -3.502 -10.421 -11.624
  450    HE1  HIS  61           HE1      HIS  61  -3.416 -14.291  -9.938
  451    HE2  HIS  61           HE2      HIS  61  -4.601 -12.790 -11.608
  452    H    HIS  62           HN       HIS  62  -0.477  -7.987  -9.121
  453    HA   HIS  62           HA       HIS  62   2.220  -6.959  -9.664
  454    HB2  HIS  62           HB2      HIS  62  -0.029  -5.823  -7.983
  455    HB3  HIS  62           HB1      HIS  62   1.517  -5.031  -8.294
  456    HD2  HIS  62           HD2      HIS  62  -0.303  -3.081  -9.669
  457    HE1  HIS  62           HE1      HIS  62  -0.552  -5.508 -13.114
  458    HE2  HIS  62           HE2      HIS  62  -0.993  -3.186 -12.184
  459    H    HIS  63           HN       HIS  63   0.218  -7.587  -6.771
  460    HA   HIS  63           HA       HIS  63   2.685  -8.148  -5.265
  461    HB2  HIS  63           HB2      HIS  63   1.332  -7.839  -3.265
  462    HB3  HIS  63           HB1      HIS  63   1.107  -6.462  -4.345
  463    HD2  HIS  63           HD2      HIS  63  -1.467  -6.333  -5.594
  464    HE1  HIS  63           HE1      HIS  63  -3.166  -9.470  -3.336
  465    HE2  HIS  63           HE2      HIS  63  -3.671  -7.583  -4.959
  466    H    HIS  64           HN       HIS  64   1.874 -10.105  -7.098
  467    HA   HIS  64           HA       HIS  64   1.214 -12.315  -7.291
  468    HB2  HIS  64           HB2      HIS  64   2.394 -12.431  -4.507
  469    HB3  HIS  64           HB1      HIS  64   2.267 -13.759  -5.661
  470    HD2  HIS  64           HD2      HIS  64   3.347 -11.606  -8.198
  471    HE1  HIS  64           HE1      HIS  64   6.937 -11.911  -5.998
  472    HE2  HIS  64           HE2      HIS  64   5.932 -11.240  -8.231
  Start of MODEL   31
    1    H1   MET   1           HT1      MET   1  40.404 -33.930  20.829
    2    H2   MET   1           HT2      MET   1  38.835 -34.160  21.440
    3    H3   MET   1           HT3      MET   1  39.738 -32.795  21.899
    4    HA   MET   1           HA       MET   1  39.573 -32.873  19.092
    5    HB2  MET   1           HB2      MET   1  37.143 -33.644  20.584
    6    HB3  MET   1           HB1      MET   1  36.918 -32.314  19.449
    7    HG2  MET   1           HG2      MET   1  36.538 -34.558  18.409
    8    HG3  MET   1           HG1      MET   1  37.832 -33.646  17.630
    9    HE1  MET   1           HE1      MET   1  37.255 -36.861  17.531
   10    HE2  MET   1           HE2      MET   1  38.932 -37.387  17.425
   11    HE3  MET   1           HE3      MET   1  38.410 -35.952  16.547
   12    H    GLU   2           HN       GLU   2  38.581 -30.754  18.379
   13    HA   GLU   2           HA       GLU   2  39.263 -28.692  20.362
   14    HB2  GLU   2           HB2      GLU   2  39.105 -28.723  17.356
   15    HB3  GLU   2           HB1      GLU   2  39.131 -27.204  18.254
   16    HG2  GLU   2           HG2      GLU   2  41.406 -28.036  17.516
   17    HG3  GLU   2           HG1      GLU   2  41.255 -27.735  19.247
   18    H    GLU   3           HN       GLU   3  37.853 -27.077  20.948
   19    HA   GLU   3           HA       GLU   3  35.369 -26.555  19.694
   20    HB2  GLU   3           HB2      GLU   3  33.878 -27.468  21.473
   21    HB3  GLU   3           HB1      GLU   3  34.697 -28.726  20.547
   22    HG2  GLU   3           HG2      GLU   3  36.427 -28.031  22.685
   23    HG3  GLU   3           HG1      GLU   3  34.816 -28.221  23.375
   24    H    GLY   4           HN       GLY   4  33.984 -25.110  21.058
   25    HA2  GLY   4           HA2      GLY   4  33.736 -23.631  22.921
   26    HA3  GLY   4           HA1      GLY   4  35.464 -23.780  23.228
   27    H    GLY   5           HN       GLY   5  33.506 -21.470  22.616
   28    HA2  GLY   5           HA2      GLY   5  33.909 -20.221  20.223
   29    HA3  GLY   5           HA1      GLY   5  33.834 -19.348  21.751
   30    H    ASP   6           HN       ASP   6  35.365 -18.315  19.756
   31    HA   ASP   6           HA       ASP   6  37.972 -18.264  20.976
   32    HB2  ASP   6           HB2      ASP   6  37.949 -20.312  19.417
   33    HB3  ASP   6           HB1      ASP   6  37.912 -19.145  18.097
   34    H    PHE   7           HN       PHE   7  36.360 -16.188  20.860
   35    HA   PHE   7           HA       PHE   7  36.757 -14.647  18.427
   36    HB2  PHE   7           HB2      PHE   7  34.720 -14.645  20.134
   37    HB3  PHE   7           HB1      PHE   7  35.703 -13.417  20.933
   38    HD1  PHE   7           HD1      PHE   7  34.060 -14.339  17.728
   39    HD2  PHE   7           HD2      PHE   7  35.972 -11.233  19.998
   40    HE1  PHE   7           HE1      PHE   7  33.336 -12.666  16.048
   41    HE2  PHE   7           HE2      PHE   7  35.248  -9.559  18.318
   42    HZ   PHE   7           HZ       PHE   7  33.931 -10.276  16.342
   43    H    ASP   8           HN       ASP   8  39.194 -15.367  19.534
   44    HA   ASP   8           HA       ASP   8  40.166 -12.949  20.906
   45    HB2  ASP   8           HB2      ASP   8  41.763 -15.448  20.382
   46    HB3  ASP   8           HB1      ASP   8  42.026 -14.216  21.614
   47    H    ASN   9           HN       ASN   9  39.480 -12.605  18.233
   48    HA   ASN   9           HA       ASN   9  41.417 -13.016  16.302
   49    HB2  ASN   9           HB2      ASN   9  40.567 -10.769  15.366
   50    HB3  ASN   9           HB1      ASN   9  39.394 -12.070  15.562
   51   HD21  ASN   9          HD21      ASN   9  40.142  -8.828  16.476
   52   HD22  ASN   9          HD22      ASN   9  38.917  -8.643  17.637
   53    H    TYR  10           HN       TYR  10  42.708 -11.086  15.305
   54    HA   TYR  10           HA       TYR  10  44.564  -9.752  15.451
   55    HB2  TYR  10           HB2      TYR  10  42.618  -8.520  16.844
   56    HB3  TYR  10           HB1      TYR  10  43.817  -8.722  18.122
   57    HD1  TYR  10           HD1      TYR  10  43.604  -7.684  14.521
   58    HD2  TYR  10           HD2      TYR  10  45.492  -7.103  18.336
   59    HE1  TYR  10           HE1      TYR  10  44.909  -5.793  13.588
   60    HE2  TYR  10           HE2      TYR  10  46.797  -5.212  17.403
   61    HH   TYR  10           HH       TYR  10  46.046  -3.716  14.506
   62    H    TYR  11           HN       TYR  11  46.601 -10.264  15.946
   63    HA   TYR  11           HA       TYR  11  48.370 -11.348  16.939
   64    HB2  TYR  11           HB2      TYR  11  46.917 -10.028  19.209
   65    HB3  TYR  11           HB1      TYR  11  48.309 -11.055  19.547
   66    HD1  TYR  11           HD2      TYR  11  47.369  -8.466  16.991
   67    HD2  TYR  11           HD1      TYR  11  50.341  -9.933  19.723
   68    HE1  TYR  11           HE2      TYR  11  48.888  -6.623  16.326
   69    HE2  TYR  11           HE1      TYR  11  51.861  -8.090  19.059
   70    HH   TYR  11           HH       TYR  11  50.791  -5.417  17.172
   71    H    GLY  12           HN       GLY  12  46.233 -13.019  16.220
   72    HA2  GLY  12           HA2      GLY  12  46.846 -15.448  17.266
   73    HA3  GLY  12           HA1      GLY  12  45.633 -14.835  18.386
   74    H    ALA  13           HN       ALA  13  45.553 -13.904  15.051
   75    HA   ALA  13           HA       ALA  13  43.311 -15.767  14.548
   76    HB1  ALA  13           HB1      ALA  13  43.182 -12.942  14.755
   77    HB2  ALA  13           HB2      ALA  13  41.906 -14.050  14.252
   78    HB3  ALA  13           HB3      ALA  13  42.987 -13.346  13.050
   79    H    ASP  14           HN       ASP  14  46.100 -14.046  13.360
   80    HA   ASP  14           HA       ASP  14  45.748 -15.112  10.654
   81    HB2  ASP  14           HB2      ASP  14  47.864 -13.293  11.826
   82    HB3  ASP  14           HB1      ASP  14  47.763 -13.771  10.132
   83    H    ASN  15           HN       ASN  15  47.517 -15.701  13.574
   84    HA   ASN  15           HA       ASN  15  49.731 -17.110  12.594
   85    HB2  ASN  15           HB2      ASN  15  48.488 -16.649  15.129
   86    HB3  ASN  15           HB1      ASN  15  48.854 -18.367  14.985
   87   HD21  ASN  15          HD21      ASN  15  50.249 -15.222  15.464
   88   HD22  ASN  15          HD22      ASN  15  51.872 -15.721  15.483
   89    H    GLN  16           HN       GLN  16  46.382 -17.991  12.819
   90    HA   GLN  16           HA       GLN  16  46.943 -20.828  12.370
   91    HB2  GLN  16           HB2      GLN  16  44.617 -21.193  12.719
   92    HB3  GLN  16           HB1      GLN  16  45.097 -19.984  13.911
   93    HG2  GLN  16           HG2      GLN  16  43.226 -18.938  13.060
   94    HG3  GLN  16           HG1      GLN  16  44.436 -18.313  11.940
   95   HE21  GLN  16          HE21      GLN  16  43.276 -18.231   9.977
   96   HE22  GLN  16          HE22      GLN  16  42.491 -19.569   9.287
   97    H    SER  17           HN       SER  17  46.006 -17.968  10.634
   98    HA   SER  17           HA       SER  17  44.951 -19.320   8.329
   99    HB2  SER  17           HB2      SER  17  44.467 -17.235   7.567
  100    HB3  SER  17           HB1      SER  17  44.799 -16.766   9.231
  101    HG   SER  17           HG       SER  17  46.201 -15.523   8.220
  102    H    GLU  18           HN       GLU  18  48.016 -17.632   9.028
  103    HA   GLU  18           HA       GLU  18  49.322 -17.956   6.627
  104    HB2  GLU  18           HB2      GLU  18  51.324 -17.581   7.779
  105    HB3  GLU  18           HB1      GLU  18  50.119 -16.855   8.843
  106    HG2  GLU  18           HG2      GLU  18  50.020 -19.215   9.948
  107    HG3  GLU  18           HG1      GLU  18  51.574 -19.470   9.154
  108    H    CYS  19           HN       CYS  19  48.560 -20.370   9.019
  109    HA   CYS  19           HA       CYS  19  50.387 -22.368   8.118
  110    HB2  CYS  19           HB2      CYS  19  49.108 -22.241  10.360
  111    HB3  CYS  19           HB1      CYS  19  47.761 -22.950   9.469
  112    HG   CYS  19           HG       CYS  19  50.543 -24.382   9.569
  113    H    GLU  20           HN       GLU  20  47.184 -21.355   7.152
  114    HA   GLU  20           HA       GLU  20  46.854 -23.680   5.403
  115    HB2  GLU  20           HB2      GLU  20  45.063 -21.334   6.064
  116    HB3  GLU  20           HB1      GLU  20  44.649 -22.571   4.876
  117    HG2  GLU  20           HG2      GLU  20  45.490 -23.372   7.649
  118    HG3  GLU  20           HG1      GLU  20  43.831 -22.861   7.344
  119    H    TYR  21           HN       TYR  21  48.036 -20.475   5.296
  120    HA   TYR  21           HA       TYR  21  47.455 -19.857   2.575
  121    HB2  TYR  21           HB2      TYR  21  48.037 -18.083   4.117
  122    HB3  TYR  21           HB1      TYR  21  49.600 -18.830   4.447
  123    HD1  TYR  21           HD1      TYR  21  51.315 -18.998   2.618
  124    HD2  TYR  21           HD2      TYR  21  47.685 -16.745   2.165
  125    HE1  TYR  21           HE1      TYR  21  52.297 -17.805   0.679
  126    HE2  TYR  21           HE2      TYR  21  48.668 -15.553   0.226
  127    HH   TYR  21           HH       TYR  21  51.975 -15.654  -0.509
  128    H    THR  22           HN       THR  22  50.343 -21.161   4.203
  129    HA   THR  22           HA       THR  22  51.961 -21.413   1.920
  130    HB   THR  22           HB       THR  22  53.116 -23.222   3.293
  131    HG1  THR  22           HG1      THR  22  50.871 -22.632   4.845
  132   HG21  THR  22          HG21      THR  22  53.963 -21.599   4.927
  133   HG22  THR  22          HG22      THR  22  52.568 -20.560   4.635
  134   HG23  THR  22          HG23      THR  22  53.752 -20.828   3.354
  135    H    ASP  23           HN       ASP  23  49.147 -23.102   2.821
  136    HA   ASP  23           HA       ASP  23  49.816 -25.406   1.110
  137    HB2  ASP  23           HB2      ASP  23  48.221 -25.048   3.497
  138    HB3  ASP  23           HB1      ASP  23  47.261 -25.769   2.206
  139    H    TRP  24           HN       TRP  24  47.257 -22.984   1.627
  140    HA   TRP  24           HA       TRP  24  45.504 -23.578  -0.383
  141    HB2  TRP  24           HB2      TRP  24  44.860 -21.742   0.877
  142    HB3  TRP  24           HB1      TRP  24  46.447 -20.980   0.769
  143    HD1  TRP  24           HD1      TRP  24  43.513 -21.889  -1.586
  144    HE1  TRP  24           HE1      TRP  24  43.349 -20.065  -3.400
  145    HE3  TRP  24           HE3      TRP  24  47.522 -19.000  -0.297
  146    HZ2  TRP  24           HZ2      TRP  24  44.736 -17.694  -4.200
  147    HZ3  TRP  24           HZ3      TRP  24  48.077 -16.967  -1.600
  148    HH2  TRP  24           HH2      TRP  24  46.691 -16.311  -3.549
  149    H    LYS  25           HN       LYS  25  48.590 -21.860  -0.699
  150    HA   LYS  25           HA       LYS  25  48.474 -21.041  -3.333
  151    HB2  LYS  25           HB2      LYS  25  50.863 -22.213  -1.888
  152    HB3  LYS  25           HB1      LYS  25  50.930 -21.233  -3.353
  153    HG2  LYS  25           HG2      LYS  25  49.342 -19.756  -1.572
  154    HG3  LYS  25           HG1      LYS  25  50.669 -20.378  -0.590
  155    HD2  LYS  25           HD2      LYS  25  51.400 -18.279  -1.517
  156    HD3  LYS  25           HD1      LYS  25  52.256 -19.555  -2.382
  157    HE2  LYS  25           HE2      LYS  25  51.460 -18.683  -4.300
  158    HE3  LYS  25           HE1      LYS  25  49.850 -19.195  -3.792
  159    HZ1  LYS  25           HZ1      LYS  25  50.699 -16.791  -2.495
  160    HZ2  LYS  25           HZ2      LYS  25  49.266 -17.112  -3.350
  161    HZ3  LYS  25           HZ3      LYS  25  50.665 -16.626  -4.183
  162    H    SER  26           HN       SER  26  49.095 -24.266  -2.052
  163    HA   SER  26           HA       SER  26  49.476 -25.327  -4.759
  164    HB2  SER  26           HB2      SER  26  49.451 -27.133  -2.404
  165    HB3  SER  26           HB1      SER  26  50.525 -27.115  -3.800
  166    HG   SER  26           HG       SER  26  51.584 -26.418  -1.898
  167    H    SER  27           HN       SER  27  47.336 -25.691  -1.950
  168    HA   SER  27           HA       SER  27  45.626 -27.620  -3.172
  169    HB2  SER  27           HB2      SER  27  45.574 -25.951  -0.711
  170    HB3  SER  27           HB1      SER  27  44.032 -26.570  -1.294
  171    HG   SER  27           HG       SER  27  44.609 -28.434  -0.541
  172    H    GLY  28           HN       GLY  28  46.058 -24.319  -3.698
  173    HA2  GLY  28           HA2      GLY  28  43.312 -23.699  -4.396
  174    HA3  GLY  28           HA1      GLY  28  44.710 -22.647  -4.605
  175    H    ALA  29           HN       ALA  29  45.445 -25.662  -5.814
  176    HA   ALA  29           HA       ALA  29  44.940 -24.745  -8.567
  177    HB1  ALA  29           HB1      ALA  29  46.647 -26.425  -9.199
  178    HB2  ALA  29           HB2      ALA  29  46.823 -26.862  -7.500
  179    HB3  ALA  29           HB3      ALA  29  47.272 -25.247  -8.045
  180    H    LEU  30           HN       LEU  30  43.582 -26.717  -6.283
  181    HA   LEU  30           HA       LEU  30  42.311 -28.391  -8.360
  182    HB2  LEU  30           HB2      LEU  30  42.289 -30.284  -6.815
  183    HB3  LEU  30           HB1      LEU  30  43.947 -29.745  -7.090
  184    HG   LEU  30           HG       LEU  30  43.148 -28.191  -4.945
  185   HD11  LEU  30          HD11      LEU  30  42.137 -29.736  -3.336
  186   HD12  LEU  30          HD12      LEU  30  42.099 -31.011  -4.555
  187   HD13  LEU  30          HD13      LEU  30  41.090 -29.576  -4.746
  188   HD21  LEU  30          HD21      LEU  30  44.602 -30.851  -5.048
  189   HD22  LEU  30          HD22      LEU  30  44.577 -29.806  -3.626
  190   HD23  LEU  30          HD23      LEU  30  45.320 -29.241  -5.123
  191    H    ILE  31           HN       ILE  31  41.924 -26.093  -6.004
  192    HA   ILE  31           HA       ILE  31  39.412 -27.004  -4.919
  193    HB   ILE  31           HB       ILE  31  41.071 -24.527  -4.635
  194   HG12  ILE  31          HG12      ILE  31  39.742 -26.279  -2.560
  195   HG13  ILE  31          HG11      ILE  31  41.313 -26.673  -3.259
  196   HG21  ILE  31          HG21      ILE  31  39.150 -23.761  -3.074
  197   HG22  ILE  31          HG22      ILE  31  38.134 -24.845  -4.022
  198   HG23  ILE  31          HG23      ILE  31  38.953 -23.492  -4.806
  199   HD11  ILE  31          HD11      ILE  31  42.262 -24.594  -2.465
  200   HD12  ILE  31          HD12      ILE  31  41.457 -25.377  -1.105
  201   HD13  ILE  31          HD13      ILE  31  40.680 -24.025  -1.930
  202    HA   PRO  32           HA       PRO  32  37.946 -23.485  -8.032
  203    HB2  PRO  32           HB2      PRO  32  39.543 -24.388 -10.368
  204    HB3  PRO  32           HB1      PRO  32  39.146 -22.742  -9.839
  205    HG2  PRO  32           HG2      PRO  32  41.595 -23.756  -9.550
  206    HG3  PRO  32           HG1      PRO  32  40.890 -22.652  -8.357
  207    HD2  PRO  32           HD2      PRO  32  41.249 -25.620  -8.199
  208    HD3  PRO  32           HD1      PRO  32  41.372 -24.399  -6.915
  209    H    ALA  33           HN       ALA  33  38.869 -26.784  -8.765
  210    HA   ALA  33           HA       ALA  33  37.015 -27.410 -10.765
  211    HB1  ALA  33           HB1      ALA  33  38.692 -28.881  -8.871
  212    HB2  ALA  33           HB2      ALA  33  38.296 -29.252 -10.549
  213    HB3  ALA  33           HB3      ALA  33  37.189 -29.720  -9.258
  214    H    ILE  34           HN       ILE  34  36.687 -28.321  -7.328
  215    HA   ILE  34           HA       ILE  34  34.006 -29.013  -7.387
  216    HB   ILE  34           HB       ILE  34  35.829 -27.994  -5.238
  217   HG12  ILE  34          HG12      ILE  34  35.565 -30.429  -6.255
  218   HG13  ILE  34          HG11      ILE  34  35.806 -30.205  -4.524
  219   HG21  ILE  34          HG21      ILE  34  33.841 -26.978  -4.476
  220   HG22  ILE  34          HG22      ILE  34  33.846 -28.539  -3.659
  221   HG23  ILE  34          HG23      ILE  34  32.832 -28.293  -5.080
  222   HD11  ILE  34          HD11      ILE  34  33.030 -30.294  -5.703
  223   HD12  ILE  34          HD12      ILE  34  33.527 -30.578  -4.036
  224   HD13  ILE  34          HD13      ILE  34  33.889 -31.773  -5.280
  225    H    TYR  35           HN       TYR  35  35.462 -25.826  -6.828
  226    HA   TYR  35           HA       TYR  35  33.157 -24.388  -6.198
  227    HB2  TYR  35           HB2      TYR  35  35.868 -23.796  -6.981
  228    HB3  TYR  35           HB1      TYR  35  34.751 -22.697  -7.790
  229    HD1  TYR  35           HD1      TYR  35  35.555 -24.147  -4.436
  230    HD2  TYR  35           HD2      TYR  35  33.798 -20.892  -6.620
  231    HE1  TYR  35           HE1      TYR  35  35.256 -22.888  -2.320
  232    HE2  TYR  35           HE2      TYR  35  33.500 -19.633  -4.505
  233    HH   TYR  35           HH       TYR  35  33.408 -19.932  -2.187
  234    H    MET  36           HN       MET  36  34.699 -24.686  -9.408
  235    HA   MET  36           HA       MET  36  32.626 -23.433 -10.842
  236    HB2  MET  36           HB2      MET  36  34.944 -25.173 -11.522
  237    HB3  MET  36           HB1      MET  36  33.672 -25.007 -12.734
  238    HG2  MET  36           HG2      MET  36  34.949 -22.633 -11.356
  239    HG3  MET  36           HG1      MET  36  35.537 -23.286 -12.885
  240    HE1  MET  36           HE1      MET  36  34.356 -20.405 -11.947
  241    HE2  MET  36           HE2      MET  36  32.988 -21.094 -11.076
  242    HE3  MET  36           HE3      MET  36  32.703 -20.052 -12.468
  243    H    LEU  37           HN       LEU  37  33.374 -26.916 -10.560
  244    HA   LEU  37           HA       LEU  37  31.219 -27.959 -11.921
  245    HB2  LEU  37           HB2      LEU  37  33.043 -29.341 -11.036
  246    HB3  LEU  37           HB1      LEU  37  32.477 -29.048  -9.391
  247    HG   LEU  37           HG       LEU  37  30.352 -30.006 -11.165
  248   HD11  LEU  37          HD11      LEU  37  32.172 -31.250 -12.212
  249   HD12  LEU  37          HD12      LEU  37  31.217 -32.350 -11.218
  250   HD13  LEU  37          HD13      LEU  37  32.772 -31.757 -10.633
  251   HD21  LEU  37          HD21      LEU  37  30.215 -29.858  -8.691
  252   HD22  LEU  37          HD22      LEU  37  31.522 -31.036  -8.558
  253   HD23  LEU  37          HD23      LEU  37  29.972 -31.512  -9.253
  254    H    VAL  38           HN       VAL  38  31.268 -26.425  -8.798
  255    HA   VAL  38           HA       VAL  38  28.522 -27.287  -8.223
  256    HB   VAL  38           HB       VAL  38  30.600 -25.812  -6.603
  257   HG11  VAL  38          HG11      VAL  38  28.767 -26.121  -4.776
  258   HG12  VAL  38          HG12      VAL  38  27.653 -26.231  -6.139
  259   HG13  VAL  38          HG13      VAL  38  28.611 -24.770  -5.899
  260   HG21  VAL  38          HG21      VAL  38  29.144 -28.420  -6.083
  261   HG22  VAL  38          HG22      VAL  38  30.545 -27.786  -5.219
  262   HG23  VAL  38          HG23      VAL  38  30.710 -28.330  -6.888
  263    H    PHE  39           HN       PHE  39  30.306 -24.600  -9.438
  264    HA   PHE  39           HA       PHE  39  28.288 -22.613  -8.856
  265    HB2  PHE  39           HB2      PHE  39  30.780 -22.164  -9.138
  266    HB3  PHE  39           HB1      PHE  39  30.527 -22.387 -10.869
  267    HD1  PHE  39           HD1      PHE  39  28.932 -20.892 -12.101
  268    HD2  PHE  39           HD2      PHE  39  30.067 -20.169  -8.022
  269    HE1  PHE  39           HE1      PHE  39  28.104 -18.562 -12.285
  270    HE2  PHE  39           HE2      PHE  39  29.239 -17.839  -8.205
  271    HZ   PHE  39           HZ       PHE  39  28.259 -17.035 -10.337
  272    H    LEU  40           HN       LEU  40  29.547 -24.029 -11.887
  273    HA   LEU  40           HA       LEU  40  27.476 -22.987 -13.518
  274    HB2  LEU  40           HB2      LEU  40  28.294 -24.596 -15.204
  275    HB3  LEU  40           HB1      LEU  40  29.621 -23.711 -14.450
  276    HG   LEU  40           HG       LEU  40  29.285 -25.906 -12.781
  277   HD11  LEU  40          HD11      LEU  40  29.201 -26.878 -15.649
  278   HD12  LEU  40          HD12      LEU  40  27.778 -26.831 -14.608
  279   HD13  LEU  40          HD13      LEU  40  29.149 -27.854 -14.180
  280   HD21  LEU  40          HD21      LEU  40  31.164 -25.453 -15.120
  281   HD22  LEU  40          HD22      LEU  40  31.406 -26.688 -13.886
  282   HD23  LEU  40          HD23      LEU  40  31.433 -24.982 -13.443
  283    H    LEU  41           HN       LEU  41  27.189 -25.119 -11.073
  284    HA   LEU  41           HA       LEU  41  25.223 -26.851 -12.410
  285    HB2  LEU  41           HB2      LEU  41  27.036 -27.157 -10.171
  286    HB3  LEU  41           HB1      LEU  41  25.383 -27.561  -9.706
  287    HG   LEU  41           HG       LEU  41  26.733 -28.639 -12.195
  288   HD11  LEU  41          HD11      LEU  41  27.868 -30.031 -10.836
  289   HD12  LEU  41          HD12      LEU  41  26.319 -30.700 -10.322
  290   HD13  LEU  41          HD13      LEU  41  27.054 -29.380  -9.413
  291   HD21  LEU  41          HD21      LEU  41  24.709 -29.518 -12.664
  292   HD22  LEU  41          HD22      LEU  41  24.041 -28.568 -11.337
  293   HD23  LEU  41          HD23      LEU  41  24.595 -30.218 -11.049
  294    H    GLY  42           HN       GLY  42  25.411 -25.219  -9.236
  295    HA2  GLY  42           HA2      GLY  42  22.504 -24.868  -9.273
  296    HA3  GLY  42           HA1      GLY  42  23.566 -24.617  -7.891
  297    H    THR  43           HN       THR  43  24.795 -23.232 -10.723
  298    HA   THR  43           HA       THR  43  23.554 -20.617 -10.151
  299    HB   THR  43           HB       THR  43  26.396 -20.489 -10.885
  300    HG1  THR  43           HG1      THR  43  25.839 -22.309  -9.200
  301   HG21  THR  43          HG21      THR  43  25.004 -18.550 -10.227
  302   HG22  THR  43          HG22      THR  43  26.371 -18.770  -9.135
  303   HG23  THR  43          HG23      THR  43  24.756 -19.280  -8.641
  304    H    THR  44           HN       THR  44  23.103 -22.581 -12.264
  305    HA   THR  44           HA       THR  44  23.757 -20.859 -14.567
  306    HB   THR  44           HB       THR  44  24.199 -23.822 -14.297
  307    HG1  THR  44           HG1      THR  44  26.034 -22.837 -15.701
  308   HG21  THR  44          HG21      THR  44  22.925 -23.817 -16.268
  309   HG22  THR  44          HG22      THR  44  24.573 -23.630 -16.869
  310   HG23  THR  44          HG23      THR  44  23.511 -22.227 -16.753
  311    H    GLY  45           HN       GLY  45  21.834 -23.651 -13.468
  312    HA2  GLY  45           HA2      GLY  45  19.658 -22.812 -15.274
  313    HA3  GLY  45           HA1      GLY  45  19.830 -24.410 -14.552
  314    H    ASN  46           HN       ASN  46  20.633 -22.698 -12.031
  315    HA   ASN  46           HA       ASN  46  18.002 -22.811 -10.841
  316    HB2  ASN  46           HB2      ASN  46  19.244 -23.166  -9.015
  317    HB3  ASN  46           HB1      ASN  46  20.712 -22.806  -9.921
  318   HD21  ASN  46          HD21      ASN  46  21.476 -20.539  -9.916
  319   HD22  ASN  46          HD22      ASN  46  20.956 -19.464  -8.708
  320    H    GLY  47           HN       GLY  47  20.426 -20.231 -11.313
  321    HA2  GLY  47           HA2      GLY  47  18.844 -18.094 -10.424
  322    HA3  GLY  47           HA1      GLY  47  20.198 -17.954 -11.542
  323    H    LEU  48           HN       LEU  48  19.320 -19.368 -13.720
  324    HA   LEU  48           HA       LEU  48  17.699 -17.517 -15.064
  325    HB2  LEU  48           HB2      LEU  48  19.266 -19.155 -16.144
  326    HB3  LEU  48           HB1      LEU  48  18.100 -20.427 -15.793
  327    HG   LEU  48           HG       LEU  48  16.378 -19.165 -17.091
  328   HD11  LEU  48          HD11      LEU  48  16.924 -16.929 -17.199
  329   HD12  LEU  48          HD12      LEU  48  17.635 -17.450 -18.725
  330   HD13  LEU  48          HD13      LEU  48  18.656 -17.244 -17.304
  331   HD21  LEU  48          HD21      LEU  48  17.860 -19.370 -19.341
  332   HD22  LEU  48          HD22      LEU  48  17.232 -20.775 -18.481
  333   HD23  LEU  48          HD23      LEU  48  18.899 -20.257 -18.227
  334    H    VAL  49           HN       VAL  49  16.896 -20.673 -13.632
  335    HA   VAL  49           HA       VAL  49  14.180 -20.687 -14.410
  336    HB   VAL  49           HB       VAL  49  15.751 -22.102 -12.275
  337   HG11  VAL  49          HG11      VAL  49  13.708 -21.915 -11.134
  338   HG12  VAL  49          HG12      VAL  49  13.511 -23.428 -12.020
  339   HG13  VAL  49          HG13      VAL  49  12.764 -21.949 -12.624
  340   HG21  VAL  49          HG21      VAL  49  14.054 -23.315 -14.443
  341   HG22  VAL  49          HG22      VAL  49  15.502 -23.964 -13.674
  342   HG23  VAL  49          HG23      VAL  49  15.638 -22.650 -14.843
  343    H    LEU  50           HN       LEU  50  15.410 -20.265 -11.092
  344    HA   LEU  50           HA       LEU  50  13.188 -19.300  -9.857
  345    HB2  LEU  50           HB2      LEU  50  16.016 -18.275  -9.517
  346    HB3  LEU  50           HB1      LEU  50  14.704 -18.007  -8.371
  347    HG   LEU  50           HG       LEU  50  15.717 -20.736  -9.232
  348   HD11  LEU  50          HD11      LEU  50  16.837 -20.861  -7.118
  349   HD12  LEU  50          HD12      LEU  50  16.086 -19.367  -6.559
  350   HD13  LEU  50          HD13      LEU  50  17.303 -19.319  -7.835
  351   HD21  LEU  50          HD21      LEU  50  14.393 -21.202  -6.957
  352   HD22  LEU  50          HD22      LEU  50  13.563 -21.181  -8.512
  353   HD23  LEU  50          HD23      LEU  50  13.504 -19.767  -7.463
  354    H    TRP  51           HN       TRP  51  15.281 -17.574 -12.082
  355    HA   TRP  51           HA       TRP  51  14.134 -14.996 -11.626
  356    HB2  TRP  51           HB2      TRP  51  16.331 -15.142 -12.632
  357    HB3  TRP  51           HB1      TRP  51  15.705 -16.117 -13.961
  358    HD1  TRP  51           HD1      TRP  51  15.674 -12.557 -12.574
  359    HE1  TRP  51           HE1      TRP  51  14.872 -10.951 -14.425
  360    HE3  TRP  51           HE3      TRP  51  14.332 -15.938 -16.158
  361    HZ2  TRP  51           HZ2      TRP  51  13.805 -11.082 -17.075
  362    HZ3  TRP  51           HZ3      TRP  51  13.425 -15.171 -18.333
  363    HH2  TRP  51           HH2      TRP  51  13.160 -12.750 -18.794
  364    H    THR  52           HN       THR  52  13.863 -17.226 -14.390
  365    HA   THR  52           HA       THR  52  11.782 -15.956 -15.729
  366    HB   THR  52           HB       THR  52  12.697 -18.796 -15.560
  367    HG1  THR  52           HG1      THR  52  13.685 -18.219 -17.314
  368   HG21  THR  52          HG21      THR  52  10.413 -19.219 -15.893
  369   HG22  THR  52          HG22      THR  52  11.038 -19.119 -17.540
  370   HG23  THR  52          HG23      THR  52  10.186 -17.746 -16.836
  371    H    VAL  53           HN       VAL  53  11.589 -18.585 -13.332
  372    HA   VAL  53           HA       VAL  53   8.867 -18.968 -13.219
  373    HB   VAL  53           HB       VAL  53  10.990 -19.074 -11.086
  374   HG11  VAL  53          HG11      VAL  53   8.012 -19.352 -10.831
  375   HG12  VAL  53          HG12      VAL  53   9.163 -18.628  -9.709
  376   HG13  VAL  53          HG13      VAL  53   9.059 -20.382  -9.855
  377   HG21  VAL  53          HG21      VAL  53  10.768 -20.769 -13.002
  378   HG22  VAL  53          HG22      VAL  53   9.255 -21.266 -12.244
  379   HG23  VAL  53          HG23      VAL  53  10.777 -21.434 -11.369
  380    H    PHE  54           HN       PHE  54  10.780 -16.521 -11.494
  381    HA   PHE  54           HA       PHE  54   8.761 -15.366  -9.971
  382    HB2  PHE  54           HB2      PHE  54  11.433 -14.683 -10.788
  383    HB3  PHE  54           HB1      PHE  54  10.403 -13.252 -10.854
  384    HD1  PHE  54           HD2      PHE  54  11.185 -16.180  -8.650
  385    HD2  PHE  54           HD1      PHE  54   9.938 -12.076  -8.879
  386    HE1  PHE  54           HE2      PHE  54  11.255 -16.021  -6.176
  387    HE2  PHE  54           HE1      PHE  54  10.008 -11.917  -6.406
  388    HZ   PHE  54           HZ       PHE  54  10.666 -13.890  -5.054
  389    H    ARG  55           HN       ARG  55   9.472 -15.000 -13.392
  390    HA   ARG  55           HA       ARG  55   7.478 -12.874 -13.663
  391    HB2  ARG  55           HB2      ARG  55   8.573 -14.005 -16.137
  392    HB3  ARG  55           HB1      ARG  55   8.481 -12.328 -15.617
  393    HG2  ARG  55           HG2      ARG  55  10.542 -14.327 -14.651
  394    HG3  ARG  55           HG1      ARG  55  10.817 -13.124 -15.898
  395    HD2  ARG  55           HD2      ARG  55  10.757 -11.350 -14.399
  396    HD3  ARG  55           HD1      ARG  55   9.798 -12.239 -13.216
  397    HE   ARG  55           HE       ARG  55  12.259 -13.552 -13.512
  398   HH11  ARG  55          HH21      ARG  55  10.967 -10.547 -12.389
  399   HH12  ARG  55          HH22      ARG  55  12.198 -10.307 -11.195
  400   HH21  ARG  55          HH11      ARG  55  13.866 -13.255 -11.946
  401   HH22  ARG  55          HH12      ARG  55  13.841 -11.841 -10.941
  402    H    LYS  56           HN       LYS  56   7.952 -16.271 -14.252
  403    HA   LYS  56           HA       LYS  56   5.839 -16.784 -16.024
  404    HB2  LYS  56           HB2      LYS  56   7.720 -18.350 -15.168
  405    HB3  LYS  56           HB1      LYS  56   6.625 -18.683 -13.826
  406    HG2  LYS  56           HG2      LYS  56   5.780 -20.279 -15.205
  407    HG3  LYS  56           HG1      LYS  56   4.931 -18.929 -15.959
  408    HD2  LYS  56           HD2      LYS  56   6.805 -18.650 -17.553
  409    HD3  LYS  56           HD1      LYS  56   7.636 -20.017 -16.809
  410    HE2  LYS  56           HE2      LYS  56   6.560 -21.087 -18.566
  411    HE3  LYS  56           HE1      LYS  56   5.347 -21.257 -17.298
  412    HZ1  LYS  56           HZ1      LYS  56   3.977 -20.244 -18.706
  413    HZ2  LYS  56           HZ2      LYS  56   5.238 -19.760 -19.736
  414    HZ3  LYS  56           HZ3      LYS  56   4.831 -18.815 -18.383
  415    H    LYS  57           HN       LYS  57   5.908 -17.174 -12.478
  416    HA   LYS  57           HA       LYS  57   3.024 -17.393 -12.367
  417    HB2  LYS  57           HB2      LYS  57   5.236 -17.454 -10.330
  418    HB3  LYS  57           HB1      LYS  57   3.547 -17.339  -9.832
  419    HG2  LYS  57           HG2      LYS  57   3.001 -19.433 -10.729
  420    HG3  LYS  57           HG1      LYS  57   4.389 -19.436 -11.817
  421    HD2  LYS  57           HD2      LYS  57   4.764 -20.995  -9.956
  422    HD3  LYS  57           HD1      LYS  57   5.901 -19.650  -9.867
  423    HE2  LYS  57           HE2      LYS  57   4.709 -18.611  -8.101
  424    HE3  LYS  57           HE1      LYS  57   3.273 -19.596  -8.383
  425    HZ1  LYS  57           HZ1      LYS  57   5.799 -20.322  -7.077
  426    HZ2  LYS  57           HZ2      LYS  57   4.915 -21.531  -7.879
  427    HZ3  LYS  57           HZ3      LYS  57   4.205 -20.661  -6.603
  428    H    GLY  58           HN       GLY  58   5.439 -14.928 -12.020
  429    HA2  GLY  58           HA2      GLY  58   3.860 -13.070 -10.517
  430    HA3  GLY  58           HA1      GLY  58   5.335 -12.706 -11.409
  431    H    HIS  59           HN       HIS  59   4.144 -13.920 -13.874
  432    HA   HIS  59           HA       HIS  59   3.295 -11.638 -15.179
  433    HB2  HIS  59           HB2      HIS  59   3.130 -14.545 -15.707
  434    HB3  HIS  59           HB1      HIS  59   1.991 -13.540 -16.603
  435    HD2  HIS  59           HD2      HIS  59   3.825 -10.983 -17.370
  436    HE1  HIS  59           HE1      HIS  59   6.654 -13.770 -18.803
  437    HE2  HIS  59           HE2      HIS  59   5.936 -11.334 -18.865
  438    H    HIS  60           HN       HIS  60   1.495 -13.781 -13.116
  439    HA   HIS  60           HA       HIS  60  -1.128 -13.209 -13.916
  440    HB2  HIS  60           HB2      HIS  60  -0.125 -14.851 -12.086
  441    HB3  HIS  60           HB1      HIS  60  -0.521 -13.511 -11.010
  442    HD2  HIS  60           HD2      HIS  60  -2.287 -16.558 -12.086
  443    HE1  HIS  60           HE1      HIS  60  -5.357 -13.663 -11.968
  444    HE2  HIS  60           HE2      HIS  60  -4.867 -16.152 -12.079
  445    H    HIS  61           HN       HIS  61   1.212 -11.250 -12.323
  446    HA   HIS  61           HA       HIS  61  -0.791  -9.365 -11.323
  447    HB2  HIS  61           HB2      HIS  61   2.163  -9.705 -10.986
  448    HB3  HIS  61           HB1      HIS  61   1.444  -8.119 -10.702
  449    HD2  HIS  61           HD2      HIS  61  -0.109 -11.621  -9.610
  450    HE1  HIS  61           HE1      HIS  61   0.366  -9.187  -6.193
  451    HE2  HIS  61           HE2      HIS  61  -0.514 -11.414  -7.039
  452    H    HIS  62           HN       HIS  62   0.002  -9.958 -14.262
  453    HA   HIS  62           HA       HIS  62   0.222  -8.774 -16.219
  454    HB2  HIS  62           HB2      HIS  62  -1.100  -6.819 -14.365
  455    HB3  HIS  62           HB1      HIS  62  -0.620  -6.310 -15.984
  456    HD2  HIS  62           HD2      HIS  62  -3.833  -7.217 -14.752
  457    HE1  HIS  62           HE1      HIS  62  -3.548  -9.763 -18.107
  458    HE2  HIS  62           HE2      HIS  62  -5.144  -8.743 -16.415
  459    H    HIS  63           HN       HIS  63   0.833  -5.986 -14.141
  460    HA   HIS  63           HA       HIS  63   3.383  -5.558 -15.487
  461    HB2  HIS  63           HB2      HIS  63   3.376  -3.392 -14.378
  462    HB3  HIS  63           HB1      HIS  63   1.798  -3.675 -15.117
  463    HD2  HIS  63           HD2      HIS  63   2.563  -1.989 -12.099
  464    HE1  HIS  63           HE1      HIS  63  -0.201  -4.842 -10.671
  465    HE2  HIS  63           HE2      HIS  63   0.981  -2.660 -10.135
  466    H    HIS  64           HN       HIS  64   3.354  -7.852 -13.877
  467    HA   HIS  64           HA       HIS  64   4.364  -8.859 -12.053
  468    HB2  HIS  64           HB2      HIS  64   6.249  -8.321 -13.581
  469    HB3  HIS  64           HB1      HIS  64   6.471  -6.794 -12.727
  470    HD2  HIS  64           HD2      HIS  64   6.410 -10.627 -11.594
  471    HE1  HIS  64           HE1      HIS  64   9.227  -8.515  -9.264
  472    HE2  HIS  64           HE2      HIS  64   8.203 -10.797  -9.703
  Start of MODEL   32
    1    H1   MET   1           HT1      MET   1  61.968   6.670  10.604
    2    H2   MET   1           HT2      MET   1  61.186   5.628  11.694
    3    H3   MET   1           HT3      MET   1  60.345   6.939  11.016
    4    HA   MET   1           HA       MET   1  59.559   5.389   9.613
    5    HB2  MET   1           HB2      MET   1  62.274   6.210   8.622
    6    HB3  MET   1           HB1      MET   1  61.329   5.041   7.698
    7    HG2  MET   1           HG2      MET   1  59.550   6.577   7.365
    8    HG3  MET   1           HG1      MET   1  60.144   7.661   8.624
    9    HE1  MET   1           HE1      MET   1  59.903   6.984   4.962
   10    HE2  MET   1           HE2      MET   1  60.470   8.588   4.503
   11    HE3  MET   1           HE3      MET   1  59.229   8.421   5.744
   12    H    GLU   2           HN       GLU   2  59.627   3.704  11.355
   13    HA   GLU   2           HA       GLU   2  60.171   1.609  12.153
   14    HB2  GLU   2           HB2      GLU   2  60.795   1.114   9.233
   15    HB3  GLU   2           HB1      GLU   2  60.338  -0.091  10.438
   16    HG2  GLU   2           HG2      GLU   2  58.194   0.260   9.847
   17    HG3  GLU   2           HG1      GLU   2  58.329   1.857  10.581
   18    H    GLU   3           HN       GLU   3  62.009  -0.290  11.335
   19    HA   GLU   3           HA       GLU   3  64.346   0.480  12.640
   20    HB2  GLU   3           HB2      GLU   3  65.276  -1.578  11.931
   21    HB3  GLU   3           HB1      GLU   3  63.542  -1.880  12.048
   22    HG2  GLU   3           HG2      GLU   3  63.579  -1.092   9.512
   23    HG3  GLU   3           HG1      GLU   3  65.259  -1.618   9.613
   24    H    GLY   4           HN       GLY   4  66.523   0.740  11.776
   25    HA2  GLY   4           HA2      GLY   4  66.586   2.679   9.649
   26    HA3  GLY   4           HA1      GLY   4  67.968   2.088  10.565
   27    H    GLY   5           HN       GLY   5  65.623   0.176   8.728
   28    HA2  GLY   5           HA2      GLY   5  67.460  -0.262   6.530
   29    HA3  GLY   5           HA1      GLY   5  67.252  -1.656   7.586
   30    H    ASP   6           HN       ASP   6  66.531  -1.978   5.014
   31    HA   ASP   6           HA       ASP   6  63.607  -2.201   5.209
   32    HB2  ASP   6           HB2      ASP   6  64.250  -0.139   3.875
   33    HB3  ASP   6           HB1      ASP   6  64.959  -1.234   2.688
   34    H    PHE   7           HN       PHE   7  65.456  -4.227   5.651
   35    HA   PHE   7           HA       PHE   7  66.017  -6.360   5.002
   36    HB2  PHE   7           HB2      PHE   7  63.374  -5.792   3.827
   37    HB3  PHE   7           HB1      PHE   7  64.252  -7.116   3.063
   38    HD1  PHE   7           HD2      PHE   7  65.238  -8.945   4.575
   39    HD2  PHE   7           HD1      PHE   7  62.315  -6.097   5.916
   40    HE1  PHE   7           HE2      PHE   7  64.671 -10.423   6.483
   41    HE2  PHE   7           HE1      PHE   7  61.748  -7.576   7.823
   42    HZ   PHE   7           HZ       PHE   7  62.926  -9.740   8.107
   43    H    ASP   8           HN       ASP   8  66.671  -7.742   3.106
   44    HA   ASP   8           HA       ASP   8  68.371  -6.206   1.376
   45    HB2  ASP   8           HB2      ASP   8  67.740  -9.167   1.345
   46    HB3  ASP   8           HB1      ASP   8  69.073  -8.383   0.499
   47    H    ASN   9           HN       ASN   9  65.149  -7.291   1.205
   48    HA   ASN   9           HA       ASN   9  63.616  -7.470  -0.511
   49    HB2  ASN   9           HB2      ASN   9  63.302  -5.439  -1.460
   50    HB3  ASN   9           HB1      ASN   9  64.635  -4.944  -0.420
   51   HD21  ASN   9          HD21      ASN   9  66.803  -4.795  -1.413
   52   HD22  ASN   9          HD22      ASN   9  66.969  -4.671  -3.098
   53    H    TYR  10           HN       TYR  10  63.610  -7.180  -3.164
   54    HA   TYR  10           HA       TYR  10  63.990  -8.512  -5.020
   55    HB2  TYR  10           HB2      TYR  10  65.644  -6.721  -5.287
   56    HB3  TYR  10           HB1      TYR  10  66.810  -7.645  -4.338
   57    HD1  TYR  10           HD1      TYR  10  64.716  -7.787  -7.429
   58    HD2  TYR  10           HD2      TYR  10  68.162  -9.294  -5.353
   59    HE1  TYR  10           HE1      TYR  10  65.409  -9.014  -9.470
   60    HE2  TYR  10           HE2      TYR  10  68.854 -10.521  -7.395
   61    HH   TYR  10           HH       TYR  10  67.863 -11.401  -9.433
   62    H    TYR  11           HN       TYR  11  63.441 -10.585  -4.393
   63    HA   TYR  11           HA       TYR  11  63.901 -12.850  -4.251
   64    HB2  TYR  11           HB2      TYR  11  66.229 -11.969  -5.237
   65    HB3  TYR  11           HB1      TYR  11  66.782 -12.438  -3.630
   66    HD1  TYR  11           HD1      TYR  11  64.858 -13.687  -6.582
   67    HD2  TYR  11           HD2      TYR  11  67.165 -14.704  -3.104
   68    HE1  TYR  11           HE1      TYR  11  64.846 -16.070  -7.270
   69    HE2  TYR  11           HE2      TYR  11  67.153 -17.085  -3.792
   70    HH   TYR  11           HH       TYR  11  65.266 -18.185  -6.574
   71    H    GLY  12           HN       GLY  12  63.019 -11.319  -2.083
   72    HA2  GLY  12           HA2      GLY  12  63.525 -13.061   0.086
   73    HA3  GLY  12           HA1      GLY  12  64.457 -11.582   0.301
   74    H    ALA  13           HN       ALA  13  62.401  -9.994  -1.138
   75    HA   ALA  13           HA       ALA  13  60.629  -9.580   1.153
   76    HB1  ALA  13           HB1      ALA  13  59.944  -7.560  -0.374
   77    HB2  ALA  13           HB2      ALA  13  61.434  -7.951  -1.232
   78    HB3  ALA  13           HB3      ALA  13  61.487  -7.528   0.479
   79    H    ASP  14           HN       ASP  14  60.573 -10.723  -2.132
   80    HA   ASP  14           HA       ASP  14  57.623 -10.925  -2.034
   81    HB2  ASP  14           HB2      ASP  14  57.643 -11.000  -4.434
   82    HB3  ASP  14           HB1      ASP  14  58.646  -9.638  -3.940
   83    H    ASN  15           HN       ASN  15  60.501 -12.683  -1.799
   84    HA   ASN  15           HA       ASN  15  59.897 -15.115  -3.040
   85    HB2  ASN  15           HB2      ASN  15  61.758 -14.166  -0.993
   86    HB3  ASN  15           HB1      ASN  15  61.273 -15.843  -0.758
   87   HD21  ASN  15          HD21      ASN  15  61.077 -16.905  -3.258
   88   HD22  ASN  15          HD22      ASN  15  62.528 -16.733  -4.120
   89    H    GLN  16           HN       GLN  16  58.369 -13.598  -0.421
   90    HA   GLN  16           HA       GLN  16  57.362 -16.099   0.726
   91    HB2  GLN  16           HB2      GLN  16  56.644 -14.844   2.551
   92    HB3  GLN  16           HB1      GLN  16  58.084 -13.959   2.047
   93    HG2  GLN  16           HG2      GLN  16  56.436 -12.607   0.545
   94    HG3  GLN  16           HG1      GLN  16  55.191 -13.251   1.614
   95   HE21  GLN  16          HE21      GLN  16  54.703 -11.331   2.791
   96   HE22  GLN  16          HE22      GLN  16  55.844 -10.517   3.749
   97    H    SER  17           HN       SER  17  56.551 -13.917  -1.707
   98    HA   SER  17           HA       SER  17  53.663 -14.397  -1.457
   99    HB2  SER  17           HB2      SER  17  55.196 -12.208  -2.363
  100    HB3  SER  17           HB1      SER  17  54.399 -12.871  -3.786
  101    HG   SER  17           HG       SER  17  53.280 -11.282  -2.216
  102    H    GLU  18           HN       GLU  18  56.262 -14.676  -3.886
  103    HA   GLU  18           HA       GLU  18  54.890 -15.919  -5.925
  104    HB2  GLU  18           HB2      GLU  18  57.679 -16.694  -5.052
  105    HB3  GLU  18           HB1      GLU  18  57.000 -16.785  -6.677
  106    HG2  GLU  18           HG2      GLU  18  56.682 -14.284  -6.598
  107    HG3  GLU  18           HG1      GLU  18  57.580 -14.278  -5.080
  108    H    CYS  19           HN       CYS  19  55.364 -17.078  -2.781
  109    HA   CYS  19           HA       CYS  19  55.217 -19.901  -3.475
  110    HB2  CYS  19           HB2      CYS  19  56.270 -18.561  -1.332
  111    HB3  CYS  19           HB1      CYS  19  54.732 -19.129  -0.680
  112    HG   CYS  19           HG       CYS  19  57.041 -20.880  -0.902
  113    H    GLU  20           HN       GLU  20  53.122 -17.350  -2.246
  114    HA   GLU  20           HA       GLU  20  50.886 -19.220  -1.964
  115    HB2  GLU  20           HB2      GLU  20  50.618 -16.266  -1.566
  116    HB3  GLU  20           HB1      GLU  20  49.826 -17.589  -0.709
  117    HG2  GLU  20           HG2      GLU  20  52.152 -18.197   0.184
  118    HG3  GLU  20           HG1      GLU  20  52.674 -16.624  -0.415
  119    H    TYR  21           HN       TYR  21  51.924 -16.475  -3.929
  120    HA   TYR  21           HA       TYR  21  49.618 -15.921  -5.351
  121    HB2  TYR  21           HB2      TYR  21  51.466 -14.516  -5.754
  122    HB3  TYR  21           HB1      TYR  21  52.524 -15.874  -6.143
  123    HD1  TYR  21           HD2      TYR  21  52.259 -17.102  -8.285
  124    HD2  TYR  21           HD1      TYR  21  49.964 -13.583  -7.393
  125    HE1  TYR  21           HE2      TYR  21  51.655 -16.888 -10.682
  126    HE2  TYR  21           HE1      TYR  21  49.360 -13.369  -9.789
  127    HH   TYR  21           HH       TYR  21  49.226 -15.294 -11.828
  128    H    THR  22           HN       THR  22  51.848 -18.611  -5.707
  129    HA   THR  22           HA       THR  22  50.599 -19.560  -8.147
  130    HB   THR  22           HB       THR  22  52.189 -21.588  -6.949
  131    HG1  THR  22           HG1      THR  22  53.015 -19.933  -5.625
  132   HG21  THR  22          HG21      THR  22  51.922 -21.072  -9.365
  133   HG22  THR  22          HG22      THR  22  53.618 -21.159  -8.887
  134   HG23  THR  22          HG23      THR  22  52.850 -19.590  -9.130
  135    H    ASP  23           HN       ASP  23  49.305 -19.359  -5.295
  136    HA   ASP  23           HA       ASP  23  47.946 -21.967  -5.497
  137    HB2  ASP  23           HB2      ASP  23  48.886 -20.683  -2.922
  138    HB3  ASP  23           HB1      ASP  23  47.918 -22.151  -3.044
  139    H    TRP  24           HN       TRP  24  47.900 -18.587  -4.629
  140    HA   TRP  24           HA       TRP  24  45.208 -18.561  -3.679
  141    HB2  TRP  24           HB2      TRP  24  46.211 -16.675  -2.891
  142    HB3  TRP  24           HB1      TRP  24  47.308 -16.563  -4.268
  143    HD1  TRP  24           HD1      TRP  24  43.745 -15.677  -3.188
  144    HE1  TRP  24           HE1      TRP  24  42.817 -13.885  -4.793
  145    HE3  TRP  24           HE3      TRP  24  47.511 -15.543  -6.635
  146    HZ2  TRP  24           HZ2      TRP  24  43.572 -12.570  -7.217
  147    HZ3  TRP  24           HZ3      TRP  24  47.381 -14.014  -8.580
  148    HH2  TRP  24           HH2      TRP  24  45.418 -12.528  -8.876
  149    H    LYS  25           HN       LYS  25  46.733 -17.451  -6.710
  150    HA   LYS  25           HA       LYS  25  44.504 -16.633  -8.105
  151    HB2  LYS  25           HB2      LYS  25  46.983 -16.670  -8.835
  152    HB3  LYS  25           HB1      LYS  25  46.637 -18.294  -9.431
  153    HG2  LYS  25           HG2      LYS  25  44.776 -17.388 -10.792
  154    HG3  LYS  25           HG1      LYS  25  45.162 -15.764 -10.221
  155    HD2  LYS  25           HD2      LYS  25  46.412 -15.729 -12.147
  156    HD3  LYS  25           HD1      LYS  25  47.602 -16.495 -11.095
  157    HE2  LYS  25           HE2      LYS  25  46.456 -18.723 -11.817
  158    HE3  LYS  25           HE1      LYS  25  45.809 -17.769 -13.152
  159    HZ1  LYS  25           HZ1      LYS  25  48.193 -17.036 -13.514
  160    HZ2  LYS  25           HZ2      LYS  25  47.812 -18.637 -13.938
  161    HZ3  LYS  25           HZ3      LYS  25  48.639 -18.311 -12.490
  162    H    SER  26           HN       SER  26  45.660 -19.909  -7.529
  163    HA   SER  26           HA       SER  26  43.351 -21.006  -8.992
  164    HB2  SER  26           HB2      SER  26  45.610 -21.907  -9.523
  165    HB3  SER  26           HB1      SER  26  45.763 -22.439  -7.850
  166    HG   SER  26           HG       SER  26  44.311 -23.972  -8.193
  167    H    SER  27           HN       SER  27  44.302 -20.144  -5.900
  168    HA   SER  27           HA       SER  27  43.540 -20.627  -3.795
  169    HB2  SER  27           HB2      SER  27  41.461 -19.817  -4.905
  170    HB3  SER  27           HB1      SER  27  41.063 -21.486  -5.297
  171    HG   SER  27           HG       SER  27  40.706 -20.148  -2.998
  172    H    GLY  28           HN       GLY  28  45.191 -22.525  -4.626
  173    HA2  GLY  28           HA2      GLY  28  45.843 -24.635  -3.934
  174    HA3  GLY  28           HA1      GLY  28  44.252 -24.841  -3.209
  175    H    ALA  29           HN       ALA  29  43.554 -23.861  -6.217
  176    HA   ALA  29           HA       ALA  29  42.770 -24.943  -8.092
  177    HB1  ALA  29           HB1      ALA  29  44.378 -26.107  -9.163
  178    HB2  ALA  29           HB2      ALA  29  44.481 -27.303  -7.871
  179    HB3  ALA  29           HB3      ALA  29  45.378 -25.789  -7.746
  180    H    LEU  30           HN       LEU  30  42.084 -25.718  -5.178
  181    HA   LEU  30           HA       LEU  30  40.717 -28.263  -5.823
  182    HB2  LEU  30           HB2      LEU  30  40.753 -28.725  -3.387
  183    HB3  LEU  30           HB1      LEU  30  42.370 -28.592  -4.076
  184    HG   LEU  30           HG       LEU  30  41.761 -25.976  -3.363
  185   HD11  LEU  30          HD11      LEU  30  40.871 -27.856  -1.156
  186   HD12  LEU  30          HD12      LEU  30  39.782 -26.863  -2.124
  187   HD13  LEU  30          HD13      LEU  30  40.962 -26.099  -1.058
  188   HD21  LEU  30          HD21      LEU  30  43.921 -27.158  -3.072
  189   HD22  LEU  30          HD22      LEU  30  43.229 -28.079  -1.738
  190   HD23  LEU  30          HD23      LEU  30  43.434 -26.333  -1.593
  191    H    ILE  31           HN       ILE  31  40.417 -25.110  -4.216
  192    HA   ILE  31           HA       ILE  31  37.667 -25.500  -3.494
  193    HB   ILE  31           HB       ILE  31  39.031 -22.823  -3.799
  194   HG12  ILE  31          HG12      ILE  31  39.095 -24.740  -1.448
  195   HG13  ILE  31          HG11      ILE  31  40.477 -24.276  -2.440
  196   HG21  ILE  31          HG21      ILE  31  36.443 -23.520  -3.156
  197   HG22  ILE  31          HG22      ILE  31  37.228 -22.008  -2.702
  198   HG23  ILE  31          HG23      ILE  31  37.199 -23.360  -1.570
  199   HD11  ILE  31          HD11      ILE  31  39.223 -22.841  -0.228
  200   HD12  ILE  31          HD12      ILE  31  39.376 -21.841  -1.673
  201   HD13  ILE  31          HD13      ILE  31  40.805 -22.596  -0.968
  202    HA   PRO  32           HA       PRO  32  37.065 -22.760  -7.495
  203    HB2  PRO  32           HB2      PRO  32  38.992 -24.038  -9.323
  204    HB3  PRO  32           HB1      PRO  32  38.677 -22.316  -9.044
  205    HG2  PRO  32           HG2      PRO  32  40.923 -23.553  -8.213
  206    HG3  PRO  32           HG1      PRO  32  40.214 -22.172  -7.367
  207    HD2  PRO  32           HD2      PRO  32  40.146 -25.065  -6.647
  208    HD3  PRO  32           HD1      PRO  32  40.207 -23.638  -5.594
  209    H    ALA  33           HN       ALA  33  38.044 -26.142  -7.538
  210    HA   ALA  33           HA       ALA  33  36.558 -27.083  -9.703
  211    HB1  ALA  33           HB1      ALA  33  37.233 -28.428  -7.079
  212    HB2  ALA  33           HB2      ALA  33  38.142 -28.521  -8.587
  213    HB3  ALA  33           HB3      ALA  33  36.548 -29.267  -8.471
  214    H    ILE  34           HN       ILE  34  35.562 -27.564  -6.315
  215    HA   ILE  34           HA       ILE  34  32.926 -28.216  -6.770
  216    HB   ILE  34           HB       ILE  34  34.343 -26.896  -4.485
  217   HG12  ILE  34          HG12      ILE  34  34.201 -29.452  -5.174
  218   HG13  ILE  34          HG11      ILE  34  34.121 -28.978  -3.479
  219   HG21  ILE  34          HG21      ILE  34  32.280 -25.774  -4.266
  220   HG22  ILE  34          HG22      ILE  34  32.086 -27.198  -3.245
  221   HG23  ILE  34          HG23      ILE  34  31.360 -27.161  -4.852
  222   HD11  ILE  34          HD11      ILE  34  31.781 -29.270  -3.381
  223   HD12  ILE  34          HD12      ILE  34  32.331 -30.635  -4.351
  224   HD13  ILE  34          HD13      ILE  34  31.611 -29.231  -5.136
  225    H    TYR  35           HN       TYR  35  34.301 -24.970  -6.317
  226    HA   TYR  35           HA       TYR  35  31.970 -23.465  -6.376
  227    HB2  TYR  35           HB2      TYR  35  34.805 -22.990  -6.781
  228    HB3  TYR  35           HB1      TYR  35  33.824 -21.970  -7.834
  229    HD1  TYR  35           HD2      TYR  35  34.404 -22.972  -4.302
  230    HD2  TYR  35           HD1      TYR  35  32.489 -20.190  -6.957
  231    HE1  TYR  35           HE2      TYR  35  33.840 -21.520  -2.373
  232    HE2  TYR  35           HE1      TYR  35  31.925 -18.738  -5.027
  233    HH   TYR  35           HH       TYR  35  33.313 -19.153  -1.949
  234    H    MET  36           HN       MET  36  34.109 -24.008  -9.186
  235    HA   MET  36           HA       MET  36  32.345 -23.042 -11.126
  236    HB2  MET  36           HB2      MET  36  34.719 -24.846 -11.142
  237    HB3  MET  36           HB1      MET  36  33.707 -24.805 -12.587
  238    HG2  MET  36           HG2      MET  36  34.751 -22.301 -11.247
  239    HG3  MET  36           HG1      MET  36  35.614 -23.120 -12.549
  240    HE1  MET  36           HE1      MET  36  32.701 -19.910 -12.984
  241    HE2  MET  36           HE2      MET  36  34.303 -20.082 -12.273
  242    HE3  MET  36           HE3      MET  36  32.906 -20.781 -11.458
  243    H    LEU  37           HN       LEU  37  32.968 -26.445 -10.232
  244    HA   LEU  37           HA       LEU  37  31.129 -27.703 -11.844
  245    HB2  LEU  37           HB2      LEU  37  32.769 -28.763 -10.211
  246    HB3  LEU  37           HB1      LEU  37  31.559 -28.478  -8.958
  247    HG   LEU  37           HG       LEU  37  30.005 -29.627 -10.860
  248   HD11  LEU  37          HD11      LEU  37  31.990 -29.977 -12.331
  249   HD12  LEU  37          HD12      LEU  37  31.218 -31.492 -11.867
  250   HD13  LEU  37          HD13      LEU  37  32.709 -30.983 -11.074
  251   HD21  LEU  37          HD21      LEU  37  30.373 -31.767  -9.563
  252   HD22  LEU  37          HD22      LEU  37  30.055 -30.355  -8.556
  253   HD23  LEU  37          HD23      LEU  37  31.703 -30.960  -8.730
  254    H    VAL  38           HN       VAL  38  30.549 -25.806  -8.962
  255    HA   VAL  38           HA       VAL  38  27.705 -26.539  -8.962
  256    HB   VAL  38           HB       VAL  38  29.444 -24.999  -7.034
  257   HG11  VAL  38          HG11      VAL  38  27.416 -23.796  -6.935
  258   HG12  VAL  38          HG12      VAL  38  27.242 -25.004  -5.662
  259   HG13  VAL  38          HG13      VAL  38  26.442 -25.240  -7.216
  260   HG21  VAL  38          HG21      VAL  38  27.681 -27.374  -6.461
  261   HG22  VAL  38          HG22      VAL  38  29.128 -26.838  -5.607
  262   HG23  VAL  38          HG23      VAL  38  29.273 -27.608  -7.187
  263    H    PHE  39           HN       PHE  39  29.754 -24.225 -10.290
  264    HA   PHE  39           HA       PHE  39  27.816 -22.045 -10.229
  265    HB2  PHE  39           HB2      PHE  39  30.401 -21.824 -10.108
  266    HB3  PHE  39           HB1      PHE  39  30.344 -22.062 -11.855
  267    HD1  PHE  39           HD2      PHE  39  28.822 -20.007  -9.119
  268    HD2  PHE  39           HD1      PHE  39  29.883 -20.248 -13.274
  269    HE1  PHE  39           HE2      PHE  39  28.177 -17.632  -9.422
  270    HE2  PHE  39           HE1      PHE  39  29.239 -17.873 -13.577
  271    HZ   PHE  39           HZ       PHE  39  28.386 -16.565 -11.651
  272    H    LEU  40           HN       LEU  40  29.538 -23.869 -12.777
  273    HA   LEU  40           HA       LEU  40  27.828 -22.950 -14.863
  274    HB2  LEU  40           HB2      LEU  40  28.901 -24.829 -16.170
  275    HB3  LEU  40           HB1      LEU  40  30.029 -23.676 -15.459
  276    HG   LEU  40           HG       LEU  40  29.472 -25.753 -13.545
  277   HD11  LEU  40          HD11      LEU  40  28.925 -27.113 -15.545
  278   HD12  LEU  40          HD12      LEU  40  30.408 -27.669 -14.769
  279   HD13  LEU  40          HD13      LEU  40  30.493 -26.701 -16.241
  280   HD21  LEU  40          HD21      LEU  40  31.895 -25.952 -13.560
  281   HD22  LEU  40          HD22      LEU  40  31.477 -24.244 -13.703
  282   HD23  LEU  40          HD23      LEU  40  31.989 -25.149 -15.128
  283    H    LEU  41           HN       LEU  41  27.097 -24.881 -12.340
  284    HA   LEU  41           HA       LEU  41  25.071 -26.382 -13.891
  285    HB2  LEU  41           HB2      LEU  41  26.530 -27.277 -11.392
  286    HB3  LEU  41           HB1      LEU  41  25.218 -28.160 -12.169
  287    HG   LEU  41           HG       LEU  41  27.868 -27.460 -13.475
  288   HD11  LEU  41          HD11      LEU  41  28.671 -29.457 -12.781
  289   HD12  LEU  41          HD12      LEU  41  27.156 -30.282 -13.147
  290   HD13  LEU  41          HD13      LEU  41  27.354 -29.445 -11.608
  291   HD21  LEU  41          HD21      LEU  41  25.318 -28.696 -14.437
  292   HD22  LEU  41          HD22      LEU  41  26.833 -29.361 -15.046
  293   HD23  LEU  41          HD23      LEU  41  26.455 -27.657 -15.296
  294    H    GLY  42           HN       GLY  42  25.864 -24.481 -11.080
  295    HA2  GLY  42           HA2      GLY  42  23.105 -24.671 -10.081
  296    HA3  GLY  42           HA1      GLY  42  24.472 -23.980  -9.212
  297    H    THR  43           HN       THR  43  24.736 -22.891 -12.298
  298    HA   THR  43           HA       THR  43  22.969 -20.567 -11.884
  299    HB   THR  43           HB       THR  43  25.750 -20.191 -12.949
  300    HG1  THR  43           HG1      THR  43  26.557 -20.180 -10.992
  301   HG21  THR  43          HG21      THR  43  25.308 -17.958 -12.652
  302   HG22  THR  43          HG22      THR  43  24.303 -18.240 -11.231
  303   HG23  THR  43          HG23      THR  43  23.647 -18.521 -12.843
  304    H    THR  44           HN       THR  44  23.219 -23.061 -13.684
  305    HA   THR  44           HA       THR  44  22.842 -21.613 -16.236
  306    HB   THR  44           HB       THR  44  24.378 -24.134 -15.672
  307    HG1  THR  44           HG1      THR  44  24.757 -21.768 -17.176
  308   HG21  THR  44          HG21      THR  44  22.846 -23.391 -18.153
  309   HG22  THR  44          HG22      THR  44  22.956 -24.956 -17.349
  310   HG23  THR  44          HG23      THR  44  24.329 -24.338 -18.266
  311    H    GLY  45           HN       GLY  45  22.154 -24.583 -14.412
  312    HA2  GLY  45           HA2      GLY  45  19.595 -24.827 -15.881
  313    HA3  GLY  45           HA1      GLY  45  20.468 -26.181 -15.169
  314    H    ASN  46           HN       ASN  46  20.460 -23.289 -13.339
  315    HA   ASN  46           HA       ASN  46  18.203 -24.224 -11.683
  316    HB2  ASN  46           HB2      ASN  46  20.995 -23.530 -10.770
  317    HB3  ASN  46           HB1      ASN  46  19.612 -23.553  -9.675
  318   HD21  ASN  46          HD21      ASN  46  21.712 -25.585 -11.674
  319   HD22  ASN  46          HD22      ASN  46  21.188 -27.065 -11.027
  320    H    GLY  47           HN       GLY  47  20.610 -21.584 -11.770
  321    HA2  GLY  47           HA2      GLY  47  19.029 -19.590 -10.656
  322    HA3  GLY  47           HA1      GLY  47  20.349 -19.295 -11.784
  323    H    LEU  48           HN       LEU  48  19.317 -20.586 -14.051
  324    HA   LEU  48           HA       LEU  48  17.785 -18.576 -15.231
  325    HB2  LEU  48           HB2      LEU  48  19.031 -20.115 -16.606
  326    HB3  LEU  48           HB1      LEU  48  18.125 -21.490 -15.978
  327    HG   LEU  48           HG       LEU  48  16.094 -20.730 -17.057
  328   HD11  LEU  48          HD11      LEU  48  17.722 -18.243 -17.553
  329   HD12  LEU  48          HD12      LEU  48  16.106 -18.383 -16.861
  330   HD13  LEU  48          HD13      LEU  48  16.351 -18.639 -18.588
  331   HD21  LEU  48          HD21      LEU  48  17.621 -21.982 -18.491
  332   HD22  LEU  48          HD22      LEU  48  18.499 -20.506 -18.891
  333   HD23  LEU  48          HD23      LEU  48  16.837 -20.721 -19.443
  334    H    VAL  49           HN       VAL  49  16.721 -21.783 -14.077
  335    HA   VAL  49           HA       VAL  49  13.985 -21.444 -14.588
  336    HB   VAL  49           HB       VAL  49  15.512 -23.143 -12.626
  337   HG11  VAL  49          HG11      VAL  49  13.198 -24.309 -12.400
  338   HG12  VAL  49          HG12      VAL  49  12.537 -22.761 -12.927
  339   HG13  VAL  49          HG13      VAL  49  13.492 -22.854 -11.447
  340   HG21  VAL  49          HG21      VAL  49  15.211 -24.826 -14.183
  341   HG22  VAL  49          HG22      VAL  49  15.224 -23.435 -15.269
  342   HG23  VAL  49          HG23      VAL  49  13.691 -24.152 -14.771
  343    H    LEU  50           HN       LEU  50  15.655 -21.162 -11.440
  344    HA   LEU  50           HA       LEU  50  13.513 -20.104  -9.998
  345    HB2  LEU  50           HB2      LEU  50  16.445 -19.468  -9.601
  346    HB3  LEU  50           HB1      LEU  50  15.170 -19.336  -8.392
  347    HG   LEU  50           HG       LEU  50  16.019 -21.905  -9.765
  348   HD11  LEU  50          HD11      LEU  50  17.679 -21.891  -8.234
  349   HD12  LEU  50          HD12      LEU  50  16.426 -22.107  -7.011
  350   HD13  LEU  50          HD13      LEU  50  16.998 -20.488  -7.411
  351   HD21  LEU  50          HD21      LEU  50  13.847 -21.173  -7.825
  352   HD22  LEU  50          HD22      LEU  50  14.604 -22.760  -7.696
  353   HD23  LEU  50          HD23      LEU  50  13.795 -22.289  -9.189
  354    H    TRP  51           HN       TRP  51  15.577 -18.621 -12.345
  355    HA   TRP  51           HA       TRP  51  14.952 -15.903 -11.550
  356    HB2  TRP  51           HB2      TRP  51  17.108 -16.286 -12.552
  357    HB3  TRP  51           HB1      TRP  51  16.374 -17.060 -13.957
  358    HD1  TRP  51           HD1      TRP  51  16.966 -13.658 -12.361
  359    HE1  TRP  51           HE1      TRP  51  16.410 -11.818 -14.079
  360    HE3  TRP  51           HE3      TRP  51  14.915 -16.504 -16.073
  361    HZ2  TRP  51           HZ2      TRP  51  15.251 -11.583 -16.683
  362    HZ3  TRP  51           HZ3      TRP  51  14.094 -15.448 -18.159
  363    HH2  TRP  51           HH2      TRP  51  14.259 -12.993 -18.468
  364    H    THR  52           HN       THR  52  14.066 -18.110 -14.191
  365    HA   THR  52           HA       THR  52  12.307 -16.250 -15.468
  366    HB   THR  52           HB       THR  52  12.835 -19.194 -15.718
  367    HG1  THR  52           HG1      THR  52  12.981 -18.188 -17.986
  368   HG21  THR  52          HG21      THR  52  11.131 -19.013 -17.673
  369   HG22  THR  52          HG22      THR  52  10.482 -17.641 -16.775
  370   HG23  THR  52          HG23      THR  52  10.507 -19.245 -16.040
  371    H    VAL  53           HN       VAL  53  11.799 -19.056 -13.336
  372    HA   VAL  53           HA       VAL  53   9.011 -19.019 -13.258
  373    HB   VAL  53           HB       VAL  53  11.045 -19.832 -11.178
  374   HG11  VAL  53          HG11      VAL  53   9.227 -19.567  -9.784
  375   HG12  VAL  53          HG12      VAL  53   8.848 -21.165 -10.425
  376   HG13  VAL  53          HG13      VAL  53   8.062 -19.737 -11.097
  377   HG21  VAL  53          HG21      VAL  53   9.213 -21.471 -12.956
  378   HG22  VAL  53          HG22      VAL  53  10.518 -22.075 -11.934
  379   HG23  VAL  53          HG23      VAL  53  10.890 -21.098 -13.354
  380    H    PHE  54           HN       PHE  54  11.371 -17.088 -11.502
  381    HA   PHE  54           HA       PHE  54   9.519 -15.930  -9.664
  382    HB2  PHE  54           HB2      PHE  54  12.346 -15.564 -10.404
  383    HB3  PHE  54           HB1      PHE  54  11.538 -14.098  -9.846
  384    HD1  PHE  54           HD2      PHE  54  11.037 -17.686  -8.898
  385    HD2  PHE  54           HD1      PHE  54  12.193 -13.752  -7.619
  386    HE1  PHE  54           HE2      PHE  54  11.186 -18.490  -6.557
  387    HE2  PHE  54           HE1      PHE  54  12.342 -14.557  -5.278
  388    HZ   PHE  54           HZ       PHE  54  11.839 -16.927  -4.747
  389    H    ARG  55           HN       ARG  55  10.180 -15.424 -12.980
  390    HA   ARG  55           HA       ARG  55   8.876 -12.773 -12.931
  391    HB2  ARG  55           HB2      ARG  55  10.865 -14.073 -14.733
  392    HB3  ARG  55           HB1      ARG  55   9.733 -12.926 -15.447
  393    HG2  ARG  55           HG2      ARG  55  10.583 -11.131 -14.261
  394    HG3  ARG  55           HG1      ARG  55  11.104 -12.135 -12.908
  395    HD2  ARG  55           HD2      ARG  55  12.427 -12.545 -15.558
  396    HD3  ARG  55           HD1      ARG  55  12.867 -11.123 -14.616
  397    HE   ARG  55           HE       ARG  55  13.641 -13.810 -14.057
  398   HH11  ARG  55          HH21      ARG  55  12.652 -10.828 -12.606
  399   HH12  ARG  55          HH22      ARG  55  13.483 -11.118 -11.114
  400   HH21  ARG  55          HH11      ARG  55  14.730 -14.200 -12.102
  401   HH22  ARG  55          HH12      ARG  55  14.660 -13.027 -10.828
  402    H    LYS  56           HN       LYS  56   8.172 -15.978 -13.390
  403    HA   LYS  56           HA       LYS  56   6.111 -15.430 -15.428
  404    HB2  LYS  56           HB2      LYS  56   6.358 -17.560 -16.173
  405    HB3  LYS  56           HB1      LYS  56   7.916 -17.454 -15.358
  406    HG2  LYS  56           HG2      LYS  56   6.759 -18.358 -13.271
  407    HG3  LYS  56           HG1      LYS  56   5.351 -18.678 -14.284
  408    HD2  LYS  56           HD2      LYS  56   7.962 -19.717 -15.283
  409    HD3  LYS  56           HD1      LYS  56   7.271 -20.514 -13.872
  410    HE2  LYS  56           HE2      LYS  56   6.511 -21.566 -15.984
  411    HE3  LYS  56           HE1      LYS  56   5.167 -20.879 -15.074
  412    HZ1  LYS  56           HZ1      LYS  56   6.576 -19.445 -17.254
  413    HZ2  LYS  56           HZ2      LYS  56   5.136 -18.984 -16.479
  414    HZ3  LYS  56           HZ3      LYS  56   5.161 -20.350 -17.489
  415    H    LYS  57           HN       LYS  57   6.640 -16.380 -12.117
  416    HA   LYS  57           HA       LYS  57   3.753 -16.817 -11.729
  417    HB2  LYS  57           HB2      LYS  57   5.568 -18.447 -10.870
  418    HB3  LYS  57           HB1      LYS  57   5.874 -17.226  -9.634
  419    HG2  LYS  57           HG2      LYS  57   3.221 -17.315  -9.398
  420    HG3  LYS  57           HG1      LYS  57   3.458 -18.936 -10.053
  421    HD2  LYS  57           HD2      LYS  57   5.130 -19.388  -8.270
  422    HD3  LYS  57           HD1      LYS  57   4.813 -17.791  -7.593
  423    HE2  LYS  57           HE2      LYS  57   2.325 -18.550  -7.553
  424    HE3  LYS  57           HE1      LYS  57   2.981 -20.178  -7.718
  425    HZ1  LYS  57           HZ1      LYS  57   3.581 -20.182  -5.599
  426    HZ2  LYS  57           HZ2      LYS  57   2.733 -18.724  -5.397
  427    HZ3  LYS  57           HZ3      LYS  57   4.395 -18.700  -5.749
  428    H    GLY  58           HN       GLY  58   6.360 -14.634 -11.022
  429    HA2  GLY  58           HA2      GLY  58   4.930 -13.218  -8.931
  430    HA3  GLY  58           HA1      GLY  58   6.486 -12.770  -9.627
  431    H    HIS  59           HN       HIS  59   5.527 -12.894 -12.381
  432    HA   HIS  59           HA       HIS  59   4.712 -10.221 -12.716
  433    HB2  HIS  59           HB2      HIS  59   5.148 -12.564 -14.437
  434    HB3  HIS  59           HB1      HIS  59   3.947 -11.429 -15.052
  435    HD2  HIS  59           HD2      HIS  59   5.257  -8.572 -14.372
  436    HE1  HIS  59           HE1      HIS  59   8.817 -10.042 -16.099
  437    HE2  HIS  59           HE2      HIS  59   7.583  -7.943 -15.379
  438    H    HIS  60           HN       HIS  60   2.939 -12.935 -11.763
  439    HA   HIS  60           HA       HIS  60   0.430 -11.452 -12.125
  440    HB2  HIS  60           HB2      HIS  60   0.731 -14.372 -12.865
  441    HB3  HIS  60           HB1      HIS  60  -0.736 -13.401 -12.981
  442    HD2  HIS  60           HD2      HIS  60  -0.005 -10.895 -14.706
  443    HE1  HIS  60           HE1      HIS  60   2.242 -13.397 -17.258
  444    HE2  HIS  60           HE2      HIS  60   1.143 -11.118 -17.040
  445    H    HIS  61           HN       HIS  61   1.020 -11.162  -9.793
  446    HA   HIS  61           HA       HIS  61   0.429 -13.534  -8.152
  447    HB2  HIS  61           HB2      HIS  61   1.388 -12.318  -6.303
  448    HB3  HIS  61           HB1      HIS  61   2.492 -12.186  -7.672
  449    HD2  HIS  61           HD2      HIS  61   0.256  -9.882  -5.463
  450    HE1  HIS  61           HE1      HIS  61   2.050  -7.455  -8.414
  451    HE2  HIS  61           HE2      HIS  61   0.677  -7.438  -6.278
  452    H    HIS  62           HN       HIS  62  -0.856 -10.498  -9.187
  453    HA   HIS  62           HA       HIS  62  -3.438 -11.051  -8.162
  454    HB2  HIS  62           HB2      HIS  62  -2.537 -10.475  -6.000
  455    HB3  HIS  62           HB1      HIS  62  -1.798  -9.010  -6.646
  456    HD2  HIS  62           HD2      HIS  62  -3.389  -6.857  -6.011
  457    HE1  HIS  62           HE1      HIS  62  -7.144  -8.774  -6.226
  458    HE2  HIS  62           HE2      HIS  62  -5.974  -6.565  -5.780
  459    H    HIS  63           HN       HIS  63  -2.528  -7.768  -7.834
  460    HA   HIS  63           HA       HIS  63  -3.830  -7.159 -10.403
  461    HB2  HIS  63           HB2      HIS  63  -4.758  -6.133  -8.333
  462    HB3  HIS  63           HB1      HIS  63  -3.217  -5.313  -8.083
  463    HD2  HIS  63           HD2      HIS  63  -5.995  -5.364 -10.945
  464    HE1  HIS  63           HE1      HIS  63  -4.027  -1.630 -10.976
  465    HE2  HIS  63           HE2      HIS  63  -5.896  -2.990 -12.027
  466    H    HIS  64           HN       HIS  64  -1.225  -8.103 -10.600
  467    HA   HIS  64           HA       HIS  64   0.834  -7.603 -11.491
  468    HB2  HIS  64           HB2      HIS  64  -0.856  -5.311 -12.488
  469    HB3  HIS  64           HB1      HIS  64   0.839  -5.491 -12.942
  470    HD2  HIS  64           HD2      HIS  64  -1.769  -8.483 -12.734
  471    HE1  HIS  64           HE1      HIS  64  -0.301  -8.208 -16.684
  472    HE2  HIS  64           HE2      HIS  64  -1.770  -9.560 -15.113
  Start of MODEL   33
    1    H1   MET   1           HT1      MET   1  12.796 -32.485 -18.007
    2    H2   MET   1           HT2      MET   1  11.681 -31.234 -18.290
    3    H3   MET   1           HT3      MET   1  11.197 -32.637 -17.459
    4    HA   MET   1           HA       MET   1  11.603 -31.542 -15.585
    5    HB2  MET   1           HB2      MET   1  14.455 -31.731 -16.605
    6    HB3  MET   1           HB1      MET   1  13.992 -31.438 -14.928
    7    HG2  MET   1           HG2      MET   1  12.912 -33.595 -14.777
    8    HG3  MET   1           HG1      MET   1  13.125 -33.876 -16.505
    9    HE1  MET   1           HE1      MET   1  13.922 -36.176 -15.274
   10    HE2  MET   1           HE2      MET   1  14.104 -35.500 -13.657
   11    HE3  MET   1           HE3      MET   1  15.455 -36.345 -14.408
   12    H    GLU   2           HN       GLU   2  11.413 -29.496 -14.862
   13    HA   GLU   2           HA       GLU   2  11.321 -27.199 -14.904
   14    HB2  GLU   2           HB2      GLU   2  14.061 -27.804 -15.979
   15    HB3  GLU   2           HB1      GLU   2  13.488 -26.138 -15.888
   16    HG2  GLU   2           HG2      GLU   2  14.762 -26.958 -13.847
   17    HG3  GLU   2           HG1      GLU   2  13.168 -26.281 -13.520
   18    H    GLU   3           HN       GLU   3  11.953 -25.253 -16.610
   19    HA   GLU   3           HA       GLU   3  11.494 -25.844 -19.358
   20    HB2  GLU   3           HB2      GLU   3   9.196 -26.087 -17.976
   21    HB3  GLU   3           HB1      GLU   3   9.168 -24.350 -18.279
   22    HG2  GLU   3           HG2      GLU   3   9.776 -25.018 -20.730
   23    HG3  GLU   3           HG1      GLU   3   9.178 -26.610 -20.265
   24    H    GLY   4           HN       GLY   4  12.283 -24.197 -20.516
   25    HA2  GLY   4           HA2      GLY   4  13.064 -21.756 -19.145
   26    HA3  GLY   4           HA1      GLY   4  13.483 -22.212 -20.795
   27    H    GLY   5           HN       GLY   5  12.630 -20.915 -22.275
   28    HA2  GLY   5           HA2      GLY   5  10.301 -20.362 -23.205
   29    HA3  GLY   5           HA1      GLY   5  10.100 -19.516 -21.673
   30    H    ASP   6           HN       ASP   6  12.672 -18.439 -21.396
   31    HA   ASP   6           HA       ASP   6  13.247 -16.890 -23.796
   32    HB2  ASP   6           HB2      ASP   6  12.742 -15.284 -21.331
   33    HB3  ASP   6           HB1      ASP   6  12.621 -14.811 -23.024
   34    H    PHE   7           HN       PHE   7  14.840 -18.764 -22.570
   35    HA   PHE   7           HA       PHE   7  16.547 -18.156 -20.553
   36    HB2  PHE   7           HB2      PHE   7  18.276 -19.033 -22.570
   37    HB3  PHE   7           HB1      PHE   7  17.424 -20.039 -21.399
   38    HD1  PHE   7           HD1      PHE   7  15.296 -21.131 -21.978
   39    HD2  PHE   7           HD2      PHE   7  17.470 -18.793 -24.852
   40    HE1  PHE   7           HE1      PHE   7  13.926 -22.102 -23.804
   41    HE2  PHE   7           HE2      PHE   7  16.101 -19.764 -26.678
   42    HZ   PHE   7           HZ       PHE   7  14.329 -21.418 -26.153
   43    H    ASP   8           HN       ASP   8  16.975 -16.000 -20.207
   44    HA   ASP   8           HA       ASP   8  17.889 -14.200 -22.209
   45    HB2  ASP   8           HB2      ASP   8  18.073 -14.130 -19.191
   46    HB3  ASP   8           HB1      ASP   8  18.582 -12.801 -20.231
   47    H    ASN   9           HN       ASN   9  19.628 -15.794 -19.532
   48    HA   ASN   9           HA       ASN   9  21.851 -16.255 -19.218
   49    HB2  ASN   9           HB2      ASN   9  22.391 -17.814 -20.716
   50    HB3  ASN   9           HB1      ASN   9  21.045 -17.277 -21.718
   51   HD21  ASN   9          HD21      ASN   9  21.584 -15.330 -23.200
   52   HD22  ASN   9          HD22      ASN   9  23.151 -15.267 -23.851
   53    H    TYR  10           HN       TYR  10  24.116 -15.631 -19.831
   54    HA   TYR  10           HA       TYR  10  25.579 -13.828 -19.749
   55    HB2  TYR  10           HB2      TYR  10  25.065 -14.634 -22.282
   56    HB3  TYR  10           HB1      TYR  10  24.620 -12.931 -22.400
   57    HD1  TYR  10           HD1      TYR  10  27.328 -15.111 -20.988
   58    HD2  TYR  10           HD2      TYR  10  26.303 -11.360 -22.813
   59    HE1  TYR  10           HE1      TYR  10  29.729 -14.496 -21.070
   60    HE2  TYR  10           HE2      TYR  10  28.703 -10.744 -22.894
   61    HH   TYR  10           HH       TYR  10  31.214 -13.037 -22.183
   62    H    TYR  11           HN       TYR  11  22.959 -13.237 -18.651
   63    HA   TYR  11           HA       TYR  11  23.201 -10.432 -18.360
   64    HB2  TYR  11           HB2      TYR  11  22.100 -10.801 -20.727
   65    HB3  TYR  11           HB1      TYR  11  20.648 -11.103 -19.775
   66    HD1  TYR  11           HD1      TYR  11  23.334  -8.621 -20.448
   67    HD2  TYR  11           HD2      TYR  11  19.479  -9.327 -18.691
   68    HE1  TYR  11           HE1      TYR  11  23.031  -6.179 -20.132
   69    HE2  TYR  11           HE2      TYR  11  19.176  -6.886 -18.373
   70    HH   TYR  11           HH       TYR  11  20.432  -4.678 -19.813
   71    H    GLY  12           HN       GLY  12  22.993 -12.681 -16.681
   72    HA2  GLY  12           HA2      GLY  12  21.443 -11.899 -14.610
   73    HA3  GLY  12           HA1      GLY  12  20.309 -12.810 -15.602
   74    H    ALA  13           HN       ALA  13  23.651 -13.674 -15.629
   75    HA   ALA  13           HA       ALA  13  23.057 -16.065 -13.986
   76    HB1  ALA  13           HB1      ALA  13  24.574 -15.723 -16.546
   77    HB2  ALA  13           HB2      ALA  13  23.422 -16.977 -16.087
   78    HB3  ALA  13           HB3      ALA  13  25.055 -16.997 -15.423
   79    H    ASP  14           HN       ASP  14  25.317 -13.498 -14.745
   80    HA   ASP  14           HA       ASP  14  27.206 -14.465 -12.718
   81    HB2  ASP  14           HB2      ASP  14  28.626 -12.576 -13.540
   82    HB3  ASP  14           HB1      ASP  14  28.218 -13.752 -14.790
   83    H    ASN  15           HN       ASN  15  24.814 -11.995 -13.279
   84    HA   ASN  15           HA       ASN  15  25.467 -10.003 -11.511
   85    HB2  ASN  15           HB2      ASN  15  22.905 -11.178 -12.448
   86    HB3  ASN  15           HB1      ASN  15  22.828 -10.144 -11.023
   87   HD21  ASN  15          HD21      ASN  15  23.574  -7.880 -11.271
   88   HD22  ASN  15          HD22      ASN  15  23.647  -7.171 -12.811
   89    H    GLN  16           HN       GLN  16  24.690 -13.286 -10.796
   90    HA   GLN  16           HA       GLN  16  24.175 -12.743  -7.971
   91    HB2  GLN  16           HB2      GLN  16  23.501 -14.982  -7.795
   92    HB3  GLN  16           HB1      GLN  16  22.988 -14.537  -9.423
   93    HG2  GLN  16           HG2      GLN  16  25.336 -15.397 -10.149
   94    HG3  GLN  16           HG1      GLN  16  25.347 -16.209  -8.583
   95   HE21  GLN  16          HE21      GLN  16  24.432 -18.264  -8.598
   96   HE22  GLN  16          HE22      GLN  16  23.299 -18.816  -9.737
   97    H    SER  17           HN       SER  17  26.736 -13.776 -10.078
   98    HA   SER  17           HA       SER  17  28.384 -14.993  -8.083
   99    HB2  SER  17           HB2      SER  17  28.881 -15.615 -10.301
  100    HB3  SER  17           HB1      SER  17  28.876 -13.946 -10.864
  101    HG   SER  17           HG       SER  17  30.919 -15.383  -9.977
  102    H    GLU  18           HN       GLU  18  28.227 -11.753  -9.529
  103    HA   GLU  18           HA       GLU  18  30.467 -10.580  -8.420
  104    HB2  GLU  18           HB2      GLU  18  29.452  -8.500  -8.828
  105    HB3  GLU  18           HB1      GLU  18  28.677  -9.575  -9.993
  106    HG2  GLU  18           HG2      GLU  18  26.901  -9.952  -8.138
  107    HG3  GLU  18           HG1      GLU  18  27.569  -8.494  -7.408
  108    H    CYS  19           HN       CYS  19  27.764 -11.860  -6.796
  109    HA   CYS  19           HA       CYS  19  27.738 -10.195  -4.487
  110    HB2  CYS  19           HB2      CYS  19  26.877 -13.080  -4.798
  111    HB3  CYS  19           HB1      CYS  19  26.448 -12.014  -3.459
  112    HG   CYS  19           HG       CYS  19  25.529 -10.526  -5.773
  113    H    GLU  20           HN       GLU  20  29.696 -12.882  -5.508
  114    HA   GLU  20           HA       GLU  20  30.841 -13.255  -2.843
  115    HB2  GLU  20           HB2      GLU  20  31.332 -14.634  -5.491
  116    HB3  GLU  20           HB1      GLU  20  32.197 -15.023  -4.003
  117    HG2  GLU  20           HG2      GLU  20  29.337 -14.932  -3.533
  118    HG3  GLU  20           HG1      GLU  20  29.721 -16.064  -4.828
  119    H    TYR  21           HN       TYR  21  31.287 -11.228  -5.441
  120    HA   TYR  21           HA       TYR  21  33.995 -11.050  -5.915
  121    HB2  TYR  21           HB2      TYR  21  32.394  -9.662  -7.096
  122    HB3  TYR  21           HB1      TYR  21  31.981  -8.816  -5.604
  123    HD1  TYR  21           HD1      TYR  21  33.665  -7.359  -4.477
  124    HD2  TYR  21           HD2      TYR  21  34.390  -9.124  -8.326
  125    HE1  TYR  21           HE1      TYR  21  35.528  -5.767  -4.857
  126    HE2  TYR  21           HE2      TYR  21  36.254  -7.532  -8.705
  127    HH   TYR  21           HH       TYR  21  37.872  -6.153  -6.976
  128    H    THR  22           HN       THR  22  32.218 -10.139  -3.052
  129    HA   THR  22           HA       THR  22  34.395  -8.623  -1.896
  130    HB   THR  22           HB       THR  22  32.850  -8.942   0.205
  131    HG1  THR  22           HG1      THR  22  31.220  -9.714  -1.981
  132   HG21  THR  22          HG21      THR  22  32.045  -7.379  -2.263
  133   HG22  THR  22          HG22      THR  22  33.118  -6.827  -0.977
  134   HG23  THR  22          HG23      THR  22  31.407  -7.094  -0.644
  135    H    ASP  23           HN       ASP  23  33.438 -11.925  -2.048
  136    HA   ASP  23           HA       ASP  23  35.237 -12.632   0.182
  137    HB2  ASP  23           HB2      ASP  23  33.049 -14.185  -1.212
  138    HB3  ASP  23           HB1      ASP  23  34.140 -14.889  -0.019
  139    H    TRP  24           HN       TRP  24  34.333 -13.858  -3.047
  140    HA   TRP  24           HA       TRP  24  36.257 -15.660  -3.592
  141    HB2  TRP  24           HB2      TRP  24  35.058 -15.429  -5.492
  142    HB3  TRP  24           HB1      TRP  24  34.773 -13.710  -5.212
  143    HD1  TRP  24           HD1      TRP  24  36.956 -16.094  -7.108
  144    HE1  TRP  24           HE1      TRP  24  38.670 -14.777  -8.514
  145    HE3  TRP  24           HE3      TRP  24  36.269 -11.414  -5.187
  146    HZ2  TRP  24           HZ2      TRP  24  39.624 -12.096  -8.788
  147    HZ3  TRP  24           HZ3      TRP  24  37.592  -9.498  -6.036
  148    HH2  TRP  24           HH2      TRP  24  39.267  -9.833  -7.835
  149    H    LYS  25           HN       LYS  25  36.736 -12.180  -3.403
  150    HA   LYS  25           HA       LYS  25  39.205 -11.882  -4.596
  151    HB2  LYS  25           HB2      LYS  25  37.651 -10.162  -3.359
  152    HB3  LYS  25           HB1      LYS  25  38.687 -10.524  -1.978
  153    HG2  LYS  25           HG2      LYS  25  40.680  -9.980  -3.341
  154    HG3  LYS  25           HG1      LYS  25  39.630  -9.578  -4.700
  155    HD2  LYS  25           HD2      LYS  25  38.528  -7.841  -3.295
  156    HD3  LYS  25           HD1      LYS  25  39.664  -8.204  -1.996
  157    HE2  LYS  25           HE2      LYS  25  40.260  -7.030  -4.716
  158    HE3  LYS  25           HE1      LYS  25  40.604  -6.337  -3.132
  159    HZ1  LYS  25           HZ1      LYS  25  41.945  -8.585  -4.492
  160    HZ2  LYS  25           HZ2      LYS  25  42.028  -8.418  -2.803
  161    HZ3  LYS  25           HZ3      LYS  25  42.632  -7.191  -3.812
  162    H    SER  26           HN       SER  26  38.471 -13.025  -1.329
  163    HA   SER  26           HA       SER  26  41.317 -13.776  -1.005
  164    HB2  SER  26           HB2      SER  26  39.180 -13.056   0.991
  165    HB3  SER  26           HB1      SER  26  40.632 -13.931   1.466
  166    HG   SER  26           HG       SER  26  41.693 -12.114   0.187
  167    H    SER  27           HN       SER  27  37.987 -14.894  -0.774
  168    HA   SER  27           HA       SER  27  38.966 -17.646  -0.312
  169    HB2  SER  27           HB2      SER  27  36.169 -16.560   0.067
  170    HB3  SER  27           HB1      SER  27  36.748 -18.161   0.515
  171    HG   SER  27           HG       SER  27  37.268 -17.253   2.332
  172    H    GLY  28           HN       GLY  28  39.329 -16.774  -2.847
  173    HA2  GLY  28           HA2      GLY  28  37.214 -18.208  -4.336
  174    HA3  GLY  28           HA1      GLY  28  37.914 -16.715  -4.952
  175    H    ALA  29           HN       ALA  29  40.422 -18.070  -3.443
  176    HA   ALA  29           HA       ALA  29  41.550 -19.096  -5.916
  177    HB1  ALA  29           HB1      ALA  29  43.645 -19.175  -4.692
  178    HB2  ALA  29           HB2      ALA  29  42.801 -18.911  -3.166
  179    HB3  ALA  29           HB3      ALA  29  42.855 -17.630  -4.377
  180    H    LEU  30           HN       LEU  30  39.375 -20.558  -4.476
  181    HA   LEU  30           HA       LEU  30  40.453 -23.193  -4.771
  182    HB2  LEU  30           HB2      LEU  30  40.157 -23.949  -2.456
  183    HB3  LEU  30           HB1      LEU  30  41.366 -22.666  -2.546
  184    HG   LEU  30           HG       LEU  30  38.975 -21.284  -2.217
  185   HD11  LEU  30          HD11      LEU  30  37.892 -22.349  -0.288
  186   HD12  LEU  30          HD12      LEU  30  39.018 -23.702  -0.385
  187   HD13  LEU  30          HD13      LEU  30  37.853 -23.431  -1.680
  188   HD21  LEU  30          HD21      LEU  30  40.994 -22.193  -0.138
  189   HD22  LEU  30          HD22      LEU  30  39.863 -20.855   0.064
  190   HD23  LEU  30          HD23      LEU  30  41.131 -20.760  -1.158
  191    H    ILE  31           HN       ILE  31  37.852 -21.061  -3.783
  192    HA   ILE  31           HA       ILE  31  35.838 -23.033  -3.549
  193    HB   ILE  31           HB       ILE  31  35.885 -20.064  -3.791
  194   HG12  ILE  31          HG12      ILE  31  34.445 -21.956  -1.914
  195   HG13  ILE  31          HG11      ILE  31  36.084 -21.368  -1.641
  196   HG21  ILE  31          HG21      ILE  31  33.494 -21.837  -4.336
  197   HG22  ILE  31          HG22      ILE  31  34.069 -20.463  -5.284
  198   HG23  ILE  31          HG23      ILE  31  33.313 -20.198  -3.716
  199   HD11  ILE  31          HD11      ILE  31  34.394 -19.130  -2.258
  200   HD12  ILE  31          HD12      ILE  31  35.280 -19.460  -0.769
  201   HD13  ILE  31          HD13      ILE  31  33.642 -20.076  -0.976
  202    HA   PRO  32           HA       PRO  32  34.893 -21.552  -8.224
  203    HB2  PRO  32           HB2      PRO  32  37.745 -22.038  -9.010
  204    HB3  PRO  32           HB1      PRO  32  36.552 -20.933  -9.722
  205    HG2  PRO  32           HG2      PRO  32  38.455 -20.024  -8.124
  206    HG3  PRO  32           HG1      PRO  32  36.811 -19.364  -8.057
  207    HD2  PRO  32           HD2      PRO  32  38.195 -21.170  -6.139
  208    HD3  PRO  32           HD1      PRO  32  36.933 -19.961  -5.835
  209    H    ALA  33           HN       ALA  33  37.063 -23.959  -6.906
  210    HA   ALA  33           HA       ALA  33  36.768 -25.952  -8.879
  211    HB1  ALA  33           HB1      ALA  33  37.414 -26.066  -5.936
  212    HB2  ALA  33           HB2      ALA  33  38.513 -26.258  -7.302
  213    HB3  ALA  33           HB3      ALA  33  37.333 -27.517  -6.935
  214    H    ILE  34           HN       ILE  34  35.233 -25.865  -5.656
  215    HA   ILE  34           HA       ILE  34  33.267 -27.807  -6.313
  216    HB   ILE  34           HB       ILE  34  33.608 -25.827  -4.076
  217   HG12  ILE  34          HG12      ILE  34  33.883 -27.840  -2.758
  218   HG13  ILE  34          HG11      ILE  34  33.358 -28.849  -4.107
  219   HG21  ILE  34          HG21      ILE  34  31.259 -25.799  -4.239
  220   HG22  ILE  34          HG22      ILE  34  31.564 -27.103  -3.092
  221   HG23  ILE  34          HG23      ILE  34  31.185 -27.479  -4.773
  222   HD11  ILE  34          HD11      ILE  34  35.326 -28.393  -5.355
  223   HD12  ILE  34          HD12      ILE  34  35.894 -28.679  -3.710
  224   HD13  ILE  34          HD13      ILE  34  35.760 -27.030  -4.323
  225    H    TYR  35           HN       TYR  35  33.474 -24.364  -6.726
  226    HA   TYR  35           HA       TYR  35  30.690 -23.836  -7.036
  227    HB2  TYR  35           HB2      TYR  35  33.054 -22.328  -6.996
  228    HB3  TYR  35           HB1      TYR  35  32.371 -22.075  -8.601
  229    HD1  TYR  35           HD2      TYR  35  31.126 -22.405  -5.070
  230    HD2  TYR  35           HD1      TYR  35  30.882 -20.291  -8.802
  231    HE1  TYR  35           HE2      TYR  35  29.425 -20.884  -4.099
  232    HE2  TYR  35           HE1      TYR  35  29.183 -18.771  -7.831
  233    HH   TYR  35           HH       TYR  35  28.450 -17.989  -5.650
  234    H    MET  36           HN       MET  36  33.312 -24.124  -9.446
  235    HA   MET  36           HA       MET  36  31.939 -23.931 -11.782
  236    HB2  MET  36           HB2      MET  36  34.321 -25.438 -10.915
  237    HB3  MET  36           HB1      MET  36  33.552 -26.042 -12.384
  238    HG2  MET  36           HG2      MET  36  35.305 -24.265 -12.782
  239    HG3  MET  36           HG1      MET  36  33.716 -23.885 -13.447
  240    HE1  MET  36           HE1      MET  36  33.937 -21.366 -13.628
  241    HE2  MET  36           HE2      MET  36  33.126 -20.529 -12.308
  242    HE3  MET  36           HE3      MET  36  32.400 -21.976 -13.001
  243    H    LEU  37           HN       LEU  37  32.485 -27.071 -10.168
  244    HA   LEU  37           HA       LEU  37  30.799 -28.620 -11.721
  245    HB2  LEU  37           HB2      LEU  37  32.387 -29.276  -9.759
  246    HB3  LEU  37           HB1      LEU  37  30.956 -29.056  -8.753
  247    HG   LEU  37           HG       LEU  37  29.832 -30.542 -10.660
  248   HD11  LEU  37          HD11      LEU  37  31.260 -31.976 -11.801
  249   HD12  LEU  37          HD12      LEU  37  32.543 -31.821 -10.600
  250   HD13  LEU  37          HD13      LEU  37  32.249 -30.516 -11.749
  251   HD21  LEU  37          HD21      LEU  37  31.597 -31.608  -8.430
  252   HD22  LEU  37          HD22      LEU  37  30.341 -32.535  -9.250
  253   HD23  LEU  37          HD23      LEU  37  29.906 -31.127  -8.280
  254    H    VAL  38           HN       VAL  38  30.020 -26.573  -8.947
  255    HA   VAL  38           HA       VAL  38  27.198 -27.311  -9.068
  256    HB   VAL  38           HB       VAL  38  28.681 -25.339  -7.312
  257   HG11  VAL  38          HG11      VAL  38  26.522 -24.539  -7.163
  258   HG12  VAL  38          HG12      VAL  38  26.419 -25.839  -5.976
  259   HG13  VAL  38          HG13      VAL  38  25.806 -26.087  -7.611
  260   HG21  VAL  38          HG21      VAL  38  28.998 -27.046  -5.834
  261   HG22  VAL  38          HG22      VAL  38  28.811 -28.072  -7.256
  262   HG23  VAL  38          HG23      VAL  38  27.433 -27.776  -6.195
  263    H    PHE  39           HN       PHE  39  29.096 -25.399 -10.881
  264    HA   PHE  39           HA       PHE  39  27.221 -23.149 -11.079
  265    HB2  PHE  39           HB2      PHE  39  29.752 -22.829 -10.989
  266    HB3  PHE  39           HB1      PHE  39  29.792 -23.506 -12.618
  267    HD1  PHE  39           HD1      PHE  39  28.570 -20.699 -10.540
  268    HD2  PHE  39           HD2      PHE  39  28.942 -22.278 -14.516
  269    HE1  PHE  39           HE1      PHE  39  27.925 -18.494 -11.476
  270    HE2  PHE  39           HE2      PHE  39  28.297 -20.074 -15.452
  271    HZ   PHE  39           HZ       PHE  39  27.789 -18.183 -13.932
  272    H    LEU  40           HN       LEU  40  28.889 -25.427 -13.275
  273    HA   LEU  40           HA       LEU  40  27.130 -24.836 -15.461
  274    HB2  LEU  40           HB2      LEU  40  28.206 -26.968 -16.423
  275    HB3  LEU  40           HB1      LEU  40  29.261 -25.592 -16.113
  276    HG   LEU  40           HG       LEU  40  28.981 -27.307 -13.764
  277   HD11  LEU  40          HD11      LEU  40  28.726 -29.059 -15.482
  278   HD12  LEU  40          HD12      LEU  40  30.288 -29.193 -14.674
  279   HD13  LEU  40          HD13      LEU  40  30.186 -28.484 -16.286
  280   HD21  LEU  40          HD21      LEU  40  31.362 -27.023 -13.690
  281   HD22  LEU  40          HD22      LEU  40  30.706 -25.493 -14.273
  282   HD23  LEU  40          HD23      LEU  40  31.432 -26.630 -15.408
  283    H    LEU  41           HN       LEU  41  26.663 -26.539 -12.650
  284    HA   LEU  41           HA       LEU  41  24.533 -28.188 -13.883
  285    HB2  LEU  41           HB2      LEU  41  26.152 -28.840 -11.409
  286    HB3  LEU  41           HB1      LEU  41  24.872 -29.833 -12.103
  287    HG   LEU  41           HG       LEU  41  27.446 -29.068 -13.515
  288   HD11  LEU  41          HD11      LEU  41  27.076 -31.887 -13.116
  289   HD12  LEU  41          HD12      LEU  41  26.923 -31.067 -11.562
  290   HD13  LEU  41          HD13      LEU  41  28.383 -30.859 -12.530
  291   HD21  LEU  41          HD21      LEU  41  25.963 -29.446 -15.263
  292   HD22  LEU  41          HD22      LEU  41  24.962 -30.547 -14.316
  293   HD23  LEU  41          HD23      LEU  41  26.510 -31.094 -14.960
  294    H    GLY  42           HN       GLY  42  25.334 -25.696 -11.742
  295    HA2  GLY  42           HA2      GLY  42  22.654 -25.845 -10.487
  296    HA3  GLY  42           HA1      GLY  42  24.078 -25.321  -9.598
  297    H    THR  43           HN       THR  43  24.674 -24.149 -12.541
  298    HA   THR  43           HA       THR  43  23.015 -21.731 -12.249
  299    HB   THR  43           HB       THR  43  25.954 -21.519 -12.859
  300    HG1  THR  43           HG1      THR  43  25.298 -22.540 -10.726
  301   HG21  THR  43          HG21      THR  43  25.595 -19.272 -12.698
  302   HG22  THR  43          HG22      THR  43  24.443 -19.450 -11.375
  303   HG23  THR  43          HG23      THR  43  23.924 -19.718 -13.040
  304    H    THR  44           HN       THR  44  22.909 -23.978 -14.097
  305    HA   THR  44           HA       THR  44  23.354 -22.499 -16.618
  306    HB   THR  44           HB       THR  44  24.043 -25.339 -15.927
  307    HG1  THR  44           HG1      THR  44  25.510 -23.426 -16.103
  308   HG21  THR  44          HG21      THR  44  24.270 -25.577 -18.506
  309   HG22  THR  44          HG22      THR  44  23.107 -24.254 -18.575
  310   HG23  THR  44          HG23      THR  44  22.671 -25.770 -17.786
  311    H    GLY  45           HN       GLY  45  21.615 -25.157 -15.037
  312    HA2  GLY  45           HA2      GLY  45  19.228 -24.464 -16.646
  313    HA3  GLY  45           HA1      GLY  45  19.689 -26.140 -16.350
  314    H    ASN  46           HN       ASN  46  20.384 -24.017 -13.789
  315    HA   ASN  46           HA       ASN  46  17.934 -24.834 -12.343
  316    HB2  ASN  46           HB2      ASN  46  20.793 -24.720 -11.372
  317    HB3  ASN  46           HB1      ASN  46  19.407 -24.853 -10.290
  318   HD21  ASN  46          HD21      ASN  46  21.299 -26.574 -12.740
  319   HD22  ASN  46          HD22      ASN  46  20.598 -28.095 -12.460
  320    H    GLY  47           HN       GLY  47  20.696 -22.586 -12.051
  321    HA2  GLY  47           HA2      GLY  47  19.328 -20.668 -10.495
  322    HA3  GLY  47           HA1      GLY  47  20.797 -20.375 -11.420
  323    H    LEU  48           HN       LEU  48  20.038 -20.743 -13.993
  324    HA   LEU  48           HA       LEU  48  18.860 -18.345 -14.727
  325    HB2  LEU  48           HB2      LEU  48  20.140 -19.625 -16.325
  326    HB3  LEU  48           HB1      LEU  48  19.009 -20.971 -16.225
  327    HG   LEU  48           HG       LEU  48  17.254 -19.658 -17.265
  328   HD11  LEU  48          HD11      LEU  48  17.498 -17.473 -16.429
  329   HD12  LEU  48          HD12      LEU  48  17.986 -17.303 -18.114
  330   HD13  LEU  48          HD13      LEU  48  19.210 -17.403 -16.848
  331   HD21  LEU  48          HD21      LEU  48  18.741 -20.693 -18.851
  332   HD22  LEU  48          HD22      LEU  48  19.938 -19.413 -18.649
  333   HD23  LEU  48          HD23      LEU  48  18.402 -19.068 -19.444
  334    H    VAL  49           HN       VAL  49  17.341 -21.565 -14.550
  335    HA   VAL  49           HA       VAL  49  14.751 -20.758 -15.291
  336    HB   VAL  49           HB       VAL  49  15.833 -23.083 -13.720
  337   HG11  VAL  49          HG11      VAL  49  12.972 -22.228 -14.111
  338   HG12  VAL  49          HG12      VAL  49  13.746 -22.874 -12.663
  339   HG13  VAL  49          HG13      VAL  49  13.381 -23.941 -14.019
  340   HG21  VAL  49          HG21      VAL  49  16.089 -22.987 -16.199
  341   HG22  VAL  49          HG22      VAL  49  14.338 -22.855 -16.353
  342   HG23  VAL  49          HG23      VAL  49  15.055 -24.322 -15.688
  343    H    LEU  50           HN       LEU  50  15.710 -21.737 -11.999
  344    HA   LEU  50           HA       LEU  50  13.591 -20.744 -10.590
  345    HB2  LEU  50           HB2      LEU  50  16.506 -20.653  -9.771
  346    HB3  LEU  50           HB1      LEU  50  15.141 -20.486  -8.668
  347    HG   LEU  50           HG       LEU  50  15.644 -22.896 -10.443
  348   HD11  LEU  50          HD11      LEU  50  17.225 -23.348  -8.875
  349   HD12  LEU  50          HD12      LEU  50  15.850 -23.747  -7.845
  350   HD13  LEU  50          HD13      LEU  50  16.587 -22.148  -7.751
  351   HD21  LEU  50          HD21      LEU  50  13.368 -23.011 -10.035
  352   HD22  LEU  50          HD22      LEU  50  13.479 -22.092  -8.535
  353   HD23  LEU  50          HD23      LEU  50  13.961 -23.788  -8.569
  354    H    TRP  51           HN       TRP  51  16.146 -18.940 -12.113
  355    HA   TRP  51           HA       TRP  51  15.556 -16.464 -10.736
  356    HB2  TRP  51           HB2      TRP  51  17.820 -16.804 -11.487
  357    HB3  TRP  51           HB1      TRP  51  17.280 -17.111 -13.137
  358    HD1  TRP  51           HD1      TRP  51  17.849 -14.316 -10.629
  359    HE1  TRP  51           HE1      TRP  51  17.683 -12.048 -11.844
  360    HE3  TRP  51           HE3      TRP  51  16.175 -15.878 -15.194
  361    HZ2  TRP  51           HZ2      TRP  51  16.942 -11.030 -14.412
  362    HZ3  TRP  51           HZ3      TRP  51  15.748 -14.241 -17.004
  363    HH2  TRP  51           HH2      TRP  51  16.129 -11.821 -16.619
  364    H    THR  52           HN       THR  52  15.061 -17.751 -14.020
  365    HA   THR  52           HA       THR  52  13.665 -15.486 -15.004
  366    HB   THR  52           HB       THR  52  13.942 -18.343 -15.881
  367    HG1  THR  52           HG1      THR  52  14.453 -16.664 -17.775
  368   HG21  THR  52          HG21      THR  52  12.614 -17.502 -17.952
  369   HG22  THR  52          HG22      THR  52  11.959 -16.293 -16.847
  370   HG23  THR  52          HG23      THR  52  11.707 -18.010 -16.528
  371    H    VAL  53           HN       VAL  53  12.584 -18.547 -13.569
  372    HA   VAL  53           HA       VAL  53   9.824 -18.190 -13.920
  373    HB   VAL  53           HB       VAL  53  11.378 -19.674 -11.795
  374   HG11  VAL  53          HG11      VAL  53   8.938 -20.861 -11.850
  375   HG12  VAL  53          HG12      VAL  53   8.472 -19.187 -12.152
  376   HG13  VAL  53          HG13      VAL  53   9.373 -19.603 -10.693
  377   HG21  VAL  53          HG21      VAL  53   9.796 -20.699 -14.168
  378   HG22  VAL  53          HG22      VAL  53  10.897 -21.614 -13.138
  379   HG23  VAL  53          HG23      VAL  53  11.529 -20.382 -14.231
  380    H    PHE  54           HN       PHE  54  11.935 -17.296 -11.201
  381    HA   PHE  54           HA       PHE  54   9.980 -16.260  -9.493
  382    HB2  PHE  54           HB2      PHE  54  12.902 -16.018  -9.794
  383    HB3  PHE  54           HB1      PHE  54  12.129 -14.648  -8.995
  384    HD1  PHE  54           HD2      PHE  54  11.455 -18.341  -9.021
  385    HD2  PHE  54           HD1      PHE  54  12.303 -14.845  -6.673
  386    HE1  PHE  54           HE2      PHE  54  11.231 -19.680  -6.946
  387    HE2  PHE  54           HE1      PHE  54  12.080 -16.184  -4.598
  388    HZ   PHE  54           HZ       PHE  54  11.544 -18.602  -4.735
  389    H    ARG  55           HN       ARG  55  11.070 -15.109 -12.507
  390    HA   ARG  55           HA       ARG  55  10.005 -12.403 -11.979
  391    HB2  ARG  55           HB2      ARG  55  12.079 -13.491 -13.828
  392    HB3  ARG  55           HB1      ARG  55  11.151 -12.089 -14.358
  393    HG2  ARG  55           HG2      ARG  55  12.027 -10.714 -12.724
  394    HG3  ARG  55           HG1      ARG  55  12.252 -12.037 -11.581
  395    HD2  ARG  55           HD2      ARG  55  13.886 -12.051 -14.085
  396    HD3  ARG  55           HD1      ARG  55  14.325 -10.920 -12.810
  397    HE   ARG  55           HE       ARG  55  14.747 -13.741 -12.767
  398   HH11  ARG  55          HH21      ARG  55  13.869 -11.012 -10.828
  399   HH12  ARG  55          HH22      ARG  55  14.449 -11.703  -9.348
  400   HH21  ARG  55          HH11      ARG  55  15.502 -14.656 -10.829
  401   HH22  ARG  55          HH12      ARG  55  15.373 -13.766  -9.349
  402    H    LYS  56           HN       LYS  56   8.899 -15.260 -13.009
  403    HA   LYS  56           HA       LYS  56   7.129 -14.038 -15.042
  404    HB2  LYS  56           HB2      LYS  56   7.388 -15.807 -16.436
  405    HB3  LYS  56           HB1      LYS  56   8.890 -16.042 -15.547
  406    HG2  LYS  56           HG2      LYS  56   7.576 -17.534 -13.946
  407    HG3  LYS  56           HG1      LYS  56   6.237 -17.447 -15.091
  408    HD2  LYS  56           HD2      LYS  56   8.957 -18.250 -16.091
  409    HD3  LYS  56           HD1      LYS  56   7.960 -19.429 -15.244
  410    HE2  LYS  56           HE2      LYS  56   6.635 -17.817 -17.371
  411    HE3  LYS  56           HE1      LYS  56   7.772 -19.059 -17.891
  412    HZ1  LYS  56           HZ1      LYS  56   5.145 -19.361 -16.888
  413    HZ2  LYS  56           HZ2      LYS  56   6.240 -20.195 -15.892
  414    HZ3  LYS  56           HZ3      LYS  56   6.172 -20.532 -17.557
  415    H    LYS  57           HN       LYS  57   7.434 -15.930 -12.154
  416    HA   LYS  57           HA       LYS  57   4.529 -16.431 -12.107
  417    HB2  LYS  57           HB2      LYS  57   6.182 -18.321 -11.702
  418    HB3  LYS  57           HB1      LYS  57   6.597 -17.515 -10.189
  419    HG2  LYS  57           HG2      LYS  57   3.811 -17.546 -10.177
  420    HG3  LYS  57           HG1      LYS  57   4.246 -19.118 -10.846
  421    HD2  LYS  57           HD2      LYS  57   5.285 -17.939  -8.252
  422    HD3  LYS  57           HD1      LYS  57   4.120 -19.255  -8.400
  423    HE2  LYS  57           HE2      LYS  57   6.201 -20.132  -9.983
  424    HE3  LYS  57           HE1      LYS  57   7.046 -19.309  -8.672
  425    HZ1  LYS  57           HZ1      LYS  57   5.014 -21.457  -8.402
  426    HZ2  LYS  57           HZ2      LYS  57   5.680 -20.596  -7.098
  427    HZ3  LYS  57           HZ3      LYS  57   6.672 -21.580  -8.065
  428    H    GLY  58           HN       GLY  58   7.065 -14.579 -10.646
  429    HA2  GLY  58           HA2      GLY  58   5.590 -13.890  -8.259
  430    HA3  GLY  58           HA1      GLY  58   7.109 -13.177  -8.795
  431    H    HIS  59           HN       HIS  59   6.024 -12.589 -11.477
  432    HA   HIS  59           HA       HIS  59   5.121  -9.958 -11.014
  433    HB2  HIS  59           HB2      HIS  59   5.348 -11.736 -13.405
  434    HB3  HIS  59           HB1      HIS  59   4.402 -10.253 -13.542
  435    HD2  HIS  59           HD2      HIS  59   7.855 -10.636 -11.596
  436    HE1  HIS  59           HE1      HIS  59   8.257  -7.655 -14.560
  437    HE2  HIS  59           HE2      HIS  59   9.427  -8.828 -12.635
  438    H    HIS  60           HN       HIS  60   3.486 -12.898 -10.804
  439    HA   HIS  60           HA       HIS  60   0.922 -11.507 -10.602
  440    HB2  HIS  60           HB2      HIS  60   1.134 -12.330 -12.970
  441    HB3  HIS  60           HB1      HIS  60   1.219 -13.971 -12.331
  442    HD2  HIS  60           HD2      HIS  60  -1.236 -12.342 -10.070
  443    HE1  HIS  60           HE1      HIS  60  -3.580 -13.612 -13.344
  444    HE2  HIS  60           HE2      HIS  60  -3.657 -12.771 -10.948
  445    H    HIS  61           HN       HIS  61   1.833 -12.135  -8.359
  446    HA   HIS  61           HA       HIS  61   0.350 -14.453  -7.470
  447    HB2  HIS  61           HB2      HIS  61   2.149 -15.827  -7.763
  448    HB3  HIS  61           HB1      HIS  61   3.307 -14.498  -7.715
  449    HD2  HIS  61           HD2      HIS  61   4.693 -14.432  -5.334
  450    HE1  HIS  61           HE1      HIS  61   1.889 -16.485  -2.937
  451    HE2  HIS  61           HE2      HIS  61   4.183 -15.397  -2.962
  452    H    HIS  62           HN       HIS  62  -0.388 -14.148  -5.452
  453    HA   HIS  62           HA       HIS  62  -0.831 -13.122  -3.451
  454    HB2  HIS  62           HB2      HIS  62   1.142 -13.849  -2.487
  455    HB3  HIS  62           HB1      HIS  62   2.154 -12.977  -3.636
  456    HD2  HIS  62           HD2      HIS  62   2.771 -10.329  -2.897
  457    HE1  HIS  62           HE1      HIS  62   0.547 -10.290   0.691
  458    HE2  HIS  62           HE2      HIS  62   2.222  -9.002  -0.717
  459    H    HIS  63           HN       HIS  63  -1.844 -11.258  -3.082
  460    HA   HIS  63           HA       HIS  63  -2.559  -9.096  -3.412
  461    HB2  HIS  63           HB2      HIS  63  -0.555  -8.784  -1.955
  462    HB3  HIS  63           HB1      HIS  63   0.414  -8.538  -3.408
  463    HD2  HIS  63           HD2      HIS  63  -2.850  -6.803  -1.888
  464    HE1  HIS  63           HE1      HIS  63  -0.558  -3.921  -3.951
  465    HE2  HIS  63           HE2      HIS  63  -2.646  -4.287  -2.553
  466    H    HIS  64           HN       HIS  64  -2.672 -10.455  -5.715
  467    HA   HIS  64           HA       HIS  64  -1.280  -9.859  -7.940
  468    HB2  HIS  64           HB2      HIS  64  -3.868  -9.494  -8.849
  469    HB3  HIS  64           HB1      HIS  64  -3.046 -11.045  -8.675
  470    HD2  HIS  64           HD2      HIS  64  -5.114  -8.739  -6.143
  471    HE1  HIS  64           HE1      HIS  64  -5.979 -12.800  -5.381
  472    HE2  HIS  64           HE2      HIS  64  -6.492 -10.412  -4.687
  Start of MODEL   34
    1    H1   MET   1           HT1      MET   1  23.388  -3.850 -19.596
    2    H2   MET   1           HT2      MET   1  23.326  -2.153 -19.511
    3    H3   MET   1           HT3      MET   1  24.589  -3.000 -18.752
    4    HA   MET   1           HA       MET   1  25.068  -3.878 -21.129
    5    HB2  MET   1           HB2      MET   1  23.467  -1.343 -21.555
    6    HB3  MET   1           HB1      MET   1  24.558  -2.008 -22.771
    7    HG2  MET   1           HG2      MET   1  22.732  -4.007 -21.635
    8    HG3  MET   1           HG1      MET   1  21.900  -2.700 -22.478
    9    HE1  MET   1           HE1      MET   1  21.638  -2.446 -24.800
   10    HE2  MET   1           HE2      MET   1  22.792  -2.897 -26.053
   11    HE3  MET   1           HE3      MET   1  23.252  -1.722 -24.824
   12    H    GLU   2           HN       GLU   2  24.989  -0.363 -20.953
   13    HA   GLU   2           HA       GLU   2  26.760   1.131 -20.933
   14    HB2  GLU   2           HB2      GLU   2  27.590  -0.489 -18.522
   15    HB3  GLU   2           HB1      GLU   2  27.852   1.231 -18.810
   16    HG2  GLU   2           HG2      GLU   2  25.096   0.917 -19.086
   17    HG3  GLU   2           HG1      GLU   2  25.508  -0.123 -17.723
   18    H    GLU   3           HN       GLU   3  29.371   0.866 -19.967
   19    HA   GLU   3           HA       GLU   3  30.794  -1.357 -20.929
   20    HB2  GLU   3           HB2      GLU   3  31.787  -0.151 -22.981
   21    HB3  GLU   3           HB1      GLU   3  30.186  -0.870 -23.153
   22    HG2  GLU   3           HG2      GLU   3  29.100   1.230 -22.954
   23    HG3  GLU   3           HG1      GLU   3  30.549   2.009 -22.323
   24    H    GLY   4           HN       GLY   4  33.182  -0.626 -21.473
   25    HA2  GLY   4           HA2      GLY   4  34.548   1.544 -20.902
   26    HA3  GLY   4           HA1      GLY   4  33.963   1.167 -19.284
   27    H    GLY   5           HN       GLY   5  36.681   1.082 -20.790
   28    HA2  GLY   5           HA2      GLY   5  37.615  -1.557 -20.913
   29    HA3  GLY   5           HA1      GLY   5  38.622  -0.143 -20.622
   30    H    ASP   6           HN       ASP   6  39.711  -0.177 -18.769
   31    HA   ASP   6           HA       ASP   6  38.464  -0.994 -16.294
   32    HB2  ASP   6           HB2      ASP   6  40.277  -2.702 -15.821
   33    HB3  ASP   6           HB1      ASP   6  39.063  -3.192 -17.000
   34    H    PHE   7           HN       PHE   7  39.218   1.445 -16.603
   35    HA   PHE   7           HA       PHE   7  40.660   3.140 -16.000
   36    HB2  PHE   7           HB2      PHE   7  40.241   1.452 -13.855
   37    HB3  PHE   7           HB1      PHE   7  41.999   1.592 -13.908
   38    HD1  PHE   7           HD2      PHE   7  38.878   3.657 -14.028
   39    HD2  PHE   7           HD1      PHE   7  43.058   3.504 -13.048
   40    HE1  PHE   7           HE2      PHE   7  38.729   5.926 -13.039
   41    HE2  PHE   7           HE1      PHE   7  42.909   5.773 -12.059
   42    HZ   PHE   7           HZ       PHE   7  40.744   6.984 -12.054
   43    H    ASP   8           HN       ASP   8  43.186   3.200 -14.942
   44    HA   ASP   8           HA       ASP   8  44.838   2.906 -17.173
   45    HB2  ASP   8           HB2      ASP   8  45.110   4.056 -14.717
   46    HB3  ASP   8           HB1      ASP   8  46.179   2.663 -14.557
   47    H    ASN   9           HN       ASN   9  43.565   0.507 -15.190
   48    HA   ASN   9           HA       ASN   9  44.130  -1.697 -14.760
   49    HB2  ASN   9           HB2      ASN   9  43.309  -1.831 -17.043
   50    HB3  ASN   9           HB1      ASN   9  44.895  -1.388 -17.671
   51   HD21  ASN   9          HD21      ASN   9  42.945  -4.039 -16.586
   52   HD22  ASN   9          HD22      ASN   9  44.148  -5.233 -16.681
   53    H    TYR  10           HN       TYR  10  46.626  -1.584 -17.179
   54    HA   TYR  10           HA       TYR  10  48.606  -2.819 -15.766
   55    HB2  TYR  10           HB2      TYR  10  48.545  -0.990 -18.080
   56    HB3  TYR  10           HB1      TYR  10  50.097  -1.081 -17.245
   57    HD1  TYR  10           HD2      TYR  10  51.033  -3.436 -16.724
   58    HD2  TYR  10           HD1      TYR  10  47.892  -2.699 -19.561
   59    HE1  TYR  10           HE2      TYR  10  51.480  -5.630 -17.790
   60    HE2  TYR  10           HE1      TYR  10  48.339  -4.893 -20.626
   61    HH   TYR  10           HH       TYR  10  49.342  -7.044 -20.049
   62    H    TYR  11           HN       TYR  11  50.179  -2.269 -14.316
   63    HA   TYR  11           HA       TYR  11  51.220  -1.094 -12.640
   64    HB2  TYR  11           HB2      TYR  11  51.533   0.445 -14.800
   65    HB3  TYR  11           HB1      TYR  11  50.505   1.528 -13.862
   66    HD1  TYR  11           HD2      TYR  11  53.594  -0.567 -13.601
   67    HD2  TYR  11           HD1      TYR  11  51.418   2.833 -12.131
   68    HE1  TYR  11           HE2      TYR  11  55.541   0.076 -12.206
   69    HE2  TYR  11           HE1      TYR  11  53.365   3.476 -10.737
   70    HH   TYR  11           HH       TYR  11  56.434   2.216 -11.175
   71    H    GLY  12           HN       GLY  12  48.505  -1.803 -12.311
   72    HA2  GLY  12           HA2      GLY  12  47.766  -0.617  -9.974
   73    HA3  GLY  12           HA1      GLY  12  47.045   0.423 -11.198
   74    H    ALA  13           HN       ALA  13  47.483  -2.972 -11.783
   75    HA   ALA  13           HA       ALA  13  44.580  -3.422 -11.421
   76    HB1  ALA  13           HB1      ALA  13  46.273  -3.770 -13.778
   77    HB2  ALA  13           HB2      ALA  13  44.514  -3.730 -13.651
   78    HB3  ALA  13           HB3      ALA  13  45.387  -5.234 -13.351
   79    H    ASP  14           HN       ASP  14  47.842  -4.643 -11.156
   80    HA   ASP  14           HA       ASP  14  46.852  -7.147  -9.957
   81    HB2  ASP  14           HB2      ASP  14  49.479  -6.298 -11.141
   82    HB3  ASP  14           HB1      ASP  14  49.401  -7.670 -10.035
   83    H    ASN  15           HN       ASN  15  48.405  -4.139  -9.231
   84    HA   ASN  15           HA       ASN  15  49.807  -4.634  -6.914
   85    HB2  ASN  15           HB2      ASN  15  49.858  -2.422  -7.704
   86    HB3  ASN  15           HB1      ASN  15  48.100  -2.307  -7.763
   87   HD21  ASN  15          HD21      ASN  15  46.947  -2.108  -5.663
   88   HD22  ASN  15          HD22      ASN  15  47.773  -1.538  -4.295
   89    H    GLN  16           HN       GLN  16  46.424  -4.948  -7.457
   90    HA   GLN  16           HA       GLN  16  45.799  -4.949  -4.594
   91    HB2  GLN  16           HB2      GLN  16  43.498  -5.014  -5.247
   92    HB3  GLN  16           HB1      GLN  16  44.292  -3.844  -6.302
   93    HG2  GLN  16           HG2      GLN  16  44.650  -5.896  -7.883
   94    HG3  GLN  16           HG1      GLN  16  43.352  -6.628  -6.941
   95   HE21  GLN  16          HE21      GLN  16  43.944  -4.687  -9.646
   96   HE22  GLN  16          HE22      GLN  16  42.404  -3.985  -9.789
   97    H    SER  17           HN       SER  17  46.336  -7.118  -7.254
   98    HA   SER  17           HA       SER  17  45.071  -9.415  -6.123
   99    HB2  SER  17           HB2      SER  17  45.990 -10.610  -7.923
  100    HB3  SER  17           HB1      SER  17  45.778  -8.988  -8.576
  101    HG   SER  17           HG       SER  17  47.839  -9.511  -9.059
  102    H    GLU  18           HN       GLU  18  48.371  -8.134  -6.083
  103    HA   GLU  18           HA       GLU  18  49.841 -10.162  -5.024
  104    HB2  GLU  18           HB2      GLU  18  49.907  -7.309  -4.012
  105    HB3  GLU  18           HB1      GLU  18  51.216  -8.487  -3.913
  106    HG2  GLU  18           HG2      GLU  18  51.268  -8.617  -6.388
  107    HG3  GLU  18           HG1      GLU  18  49.997  -7.398  -6.467
  108    H    CYS  19           HN       CYS  19  47.207  -8.505  -3.506
  109    HA   CYS  19           HA       CYS  19  47.846  -9.421  -0.830
  110    HB2  CYS  19           HB2      CYS  19  46.412  -7.319  -1.714
  111    HB3  CYS  19           HB1      CYS  19  45.108  -8.481  -1.475
  112    HG   CYS  19           HG       CYS  19  46.747  -7.169   0.748
  113    H    GLU  20           HN       GLU  20  45.692 -10.334  -3.469
  114    HA   GLU  20           HA       GLU  20  44.645 -12.570  -1.871
  115    HB2  GLU  20           HB2      GLU  20  43.799 -11.567  -4.601
  116    HB3  GLU  20           HB1      GLU  20  42.991 -12.819  -3.657
  117    HG2  GLU  20           HG2      GLU  20  43.371 -10.461  -2.035
  118    HG3  GLU  20           HG1      GLU  20  42.546 -10.032  -3.533
  119    H    TYR  21           HN       TYR  21  47.257 -12.012  -3.724
  120    HA   TYR  21           HA       TYR  21  47.214 -14.297  -5.469
  121    HB2  TYR  21           HB2      TYR  21  48.582 -12.190  -5.819
  122    HB3  TYR  21           HB1      TYR  21  49.646 -12.768  -4.535
  123    HD1  TYR  21           HD2      TYR  21  50.862 -14.939  -4.798
  124    HD2  TYR  21           HD1      TYR  21  48.618 -13.172  -8.007
  125    HE1  TYR  21           HE2      TYR  21  52.028 -16.406  -6.422
  126    HE2  TYR  21           HE1      TYR  21  49.783 -14.640  -9.631
  127    HH   TYR  21           HH       TYR  21  51.710 -15.957  -9.863
  128    H    THR  22           HN       THR  22  49.373 -13.546  -2.725
  129    HA   THR  22           HA       THR  22  50.441 -16.059  -2.346
  130    HB   THR  22           HB       THR  22  50.602 -15.342   0.119
  131    HG1  THR  22           HG1      THR  22  49.105 -13.879   0.466
  132   HG21  THR  22          HG21      THR  22  51.606 -13.528  -2.092
  133   HG22  THR  22          HG22      THR  22  52.409 -14.978  -1.487
  134   HG23  THR  22          HG23      THR  22  52.244 -13.562  -0.448
  135    H    ASP  23           HN       ASP  23  47.225 -14.994  -1.731
  136    HA   ASP  23           HA       ASP  23  46.623 -17.257   0.025
  137    HB2  ASP  23           HB2      ASP  23  45.433 -14.667  -0.536
  138    HB3  ASP  23           HB1      ASP  23  44.236 -15.959  -0.614
  139    H    TRP  24           HN       TRP  24  45.612 -15.966  -3.137
  140    HA   TRP  24           HA       TRP  24  43.769 -17.828  -3.931
  141    HB2  TRP  24           HB2      TRP  24  44.010 -16.324  -5.615
  142    HB3  TRP  24           HB1      TRP  24  45.738 -16.127  -5.325
  143    HD1  TRP  24           HD1      TRP  24  43.241 -18.433  -7.094
  144    HE1  TRP  24           HE1      TRP  24  44.501 -19.788  -8.889
  145    HE3  TRP  24           HE3      TRP  24  48.037 -17.016  -6.062
  146    HZ2  TRP  24           HZ2      TRP  24  47.189 -20.213  -9.771
  147    HZ3  TRP  24           HZ3      TRP  24  49.926 -17.908  -7.394
  148    HH2  TRP  24           HH2      TRP  24  49.509 -19.504  -9.246
  149    H    LYS  25           HN       LYS  25  47.304 -18.112  -4.298
  150    HA   LYS  25           HA       LYS  25  47.495 -20.552  -5.546
  151    HB2  LYS  25           HB2      LYS  25  49.412 -19.079  -4.893
  152    HB3  LYS  25           HB1      LYS  25  49.245 -19.673  -3.240
  153    HG2  LYS  25           HG2      LYS  25  49.623 -21.976  -4.010
  154    HG3  LYS  25           HG1      LYS  25  49.753 -21.409  -5.676
  155    HD2  LYS  25           HD2      LYS  25  51.640 -19.878  -4.828
  156    HD3  LYS  25           HD1      LYS  25  51.630 -20.871  -3.371
  157    HE2  LYS  25           HE2      LYS  25  52.536 -21.549  -6.115
  158    HE3  LYS  25           HE1      LYS  25  53.132 -22.124  -4.557
  159    HZ1  LYS  25           HZ1      LYS  25  50.744 -23.033  -6.050
  160    HZ2  LYS  25           HZ2      LYS  25  50.959 -23.372  -4.400
  161    HZ3  LYS  25           HZ3      LYS  25  52.077 -23.950  -5.541
  162    H    SER  26           HN       SER  26  46.426 -19.880  -2.315
  163    HA   SER  26           HA       SER  26  46.486 -22.743  -1.625
  164    HB2  SER  26           HB2      SER  26  47.439 -21.292   0.068
  165    HB3  SER  26           HB1      SER  26  45.997 -20.280   0.066
  166    HG   SER  26           HG       SER  26  46.374 -22.891   1.039
  167    H    SER  27           HN       SER  27  44.289 -19.950  -1.756
  168    HA   SER  27           HA       SER  27  41.974 -21.662  -1.306
  169    HB2  SER  27           HB2      SER  27  42.393 -18.702  -1.603
  170    HB3  SER  27           HB1      SER  27  40.778 -19.393  -1.723
  171    HG   SER  27           HG       SER  27  42.491 -19.174   0.453
  172    H    GLY  28           HN       GLY  28  43.738 -21.813  -3.761
  173    HA2  GLY  28           HA2      GLY  28  41.563 -21.567  -5.753
  174    HA3  GLY  28           HA1      GLY  28  43.208 -21.068  -6.132
  175    H    ALA  29           HN       ALA  29  42.384 -23.866  -4.170
  176    HA   ALA  29           HA       ALA  29  43.062 -25.668  -6.392
  177    HB1  ALA  29           HB1      ALA  29  45.029 -26.282  -5.516
  178    HB2  ALA  29           HB2      ALA  29  44.257 -26.657  -3.976
  179    HB3  ALA  29           HB3      ALA  29  44.847 -25.025  -4.292
  180    H    LEU  30           HN       LEU  30  40.898 -24.826  -4.135
  181    HA   LEU  30           HA       LEU  30  39.783 -27.533  -4.032
  182    HB2  LEU  30           HB2      LEU  30  39.176 -27.083  -1.582
  183    HB3  LEU  30           HB1      LEU  30  40.853 -27.509  -1.925
  184    HG   LEU  30           HG       LEU  30  40.351 -24.630  -2.131
  185   HD11  LEU  30          HD11      LEU  30  39.992 -26.011   0.547
  186   HD12  LEU  30          HD12      LEU  30  38.741 -25.137  -0.335
  187   HD13  LEU  30          HD13      LEU  30  40.136 -24.270   0.306
  188   HD21  LEU  30          HD21      LEU  30  42.252 -26.310  -0.463
  189   HD22  LEU  30          HD22      LEU  30  42.387 -24.574  -0.742
  190   HD23  LEU  30          HD23      LEU  30  42.586 -25.701  -2.084
  191    H    ILE  31           HN       ILE  31  39.379 -24.066  -3.546
  192    HA   ILE  31           HA       ILE  31  36.528 -24.174  -3.300
  193    HB   ILE  31           HB       ILE  31  37.957 -21.708  -4.196
  194   HG12  ILE  31          HG12      ILE  31  38.345 -23.200  -1.613
  195   HG13  ILE  31          HG11      ILE  31  39.542 -22.358  -2.597
  196   HG21  ILE  31          HG21      ILE  31  36.295 -20.625  -2.934
  197   HG22  ILE  31          HG22      ILE  31  35.991 -22.050  -1.941
  198   HG23  ILE  31          HG23      ILE  31  35.435 -22.006  -3.613
  199   HD11  ILE  31          HD11      ILE  31  39.234 -20.891  -0.787
  200   HD12  ILE  31          HD12      ILE  31  37.498 -21.195  -0.716
  201   HD13  ILE  31          HD13      ILE  31  38.169 -20.219  -2.023
  202    HA   PRO  32           HA       PRO  32  36.929 -22.757  -7.983
  203    HB2  PRO  32           HB2      PRO  32  39.041 -24.651  -8.834
  204    HB3  PRO  32           HB1      PRO  32  38.816 -22.946  -9.263
  205    HG2  PRO  32           HG2      PRO  32  40.762 -23.757  -7.614
  206    HG3  PRO  32           HG1      PRO  32  39.950 -22.194  -7.426
  207    HD2  PRO  32           HD2      PRO  32  39.597 -24.706  -5.842
  208    HD3  PRO  32           HD1      PRO  32  39.528 -23.014  -5.303
  209    H    ALA  33           HN       ALA  33  37.634 -26.046  -6.887
  210    HA   ALA  33           HA       ALA  33  36.403 -27.519  -8.904
  211    HB1  ALA  33           HB1      ALA  33  36.895 -27.992  -5.989
  212    HB2  ALA  33           HB2      ALA  33  37.558 -28.838  -7.387
  213    HB3  ALA  33           HB3      ALA  33  35.891 -29.130  -6.888
  214    H    ILE  34           HN       ILE  34  34.903 -26.927  -5.723
  215    HA   ILE  34           HA       ILE  34  32.311 -27.615  -6.399
  216    HB   ILE  34           HB       ILE  34  33.472 -25.742  -4.363
  217   HG12  ILE  34          HG12      ILE  34  32.571 -27.412  -2.828
  218   HG13  ILE  34          HG11      ILE  34  31.749 -28.233  -4.156
  219   HG21  ILE  34          HG21      ILE  34  30.572 -26.053  -5.134
  220   HG22  ILE  34          HG22      ILE  34  31.467 -24.572  -4.785
  221   HG23  ILE  34          HG23      ILE  34  31.030 -25.669  -3.475
  222   HD11  ILE  34          HD11      ILE  34  34.747 -27.831  -4.091
  223   HD12  ILE  34          HD12      ILE  34  33.824 -28.895  -5.152
  224   HD13  ILE  34          HD13      ILE  34  33.962 -29.267  -3.434
  225    H    TYR  35           HN       TYR  35  33.747 -24.349  -6.460
  226    HA   TYR  35           HA       TYR  35  31.668 -22.819  -7.303
  227    HB2  TYR  35           HB2      TYR  35  34.558 -22.714  -7.594
  228    HB3  TYR  35           HB1      TYR  35  33.738 -21.977  -8.971
  229    HD1  TYR  35           HD1      TYR  35  33.735 -22.036  -5.229
  230    HD2  TYR  35           HD2      TYR  35  32.832 -19.815  -8.792
  231    HE1  TYR  35           HE1      TYR  35  33.215 -20.040  -3.852
  232    HE2  TYR  35           HE2      TYR  35  32.311 -17.819  -7.416
  233    HH   TYR  35           HH       TYR  35  32.433 -16.924  -5.358
  234    H    MET  36           HN       MET  36  33.853 -24.535  -9.550
  235    HA   MET  36           HA       MET  36  32.517 -24.011 -11.916
  236    HB2  MET  36           HB2      MET  36  34.183 -26.333 -10.990
  237    HB3  MET  36           HB1      MET  36  33.434 -26.353 -12.587
  238    HG2  MET  36           HG2      MET  36  35.113 -24.036 -11.607
  239    HG3  MET  36           HG1      MET  36  35.798 -25.400 -12.491
  240    HE1  MET  36           HE1      MET  36  35.537 -22.108 -13.146
  241    HE2  MET  36           HE2      MET  36  33.904 -22.181 -12.488
  242    HE3  MET  36           HE3      MET  36  34.151 -21.698 -14.165
  243    H    LEU  37           HN       LEU  37  32.180 -27.019 -10.016
  244    HA   LEU  37           HA       LEU  37  30.001 -28.058 -11.407
  245    HB2  LEU  37           HB2      LEU  37  31.334 -29.343  -9.770
  246    HB3  LEU  37           HB1      LEU  37  30.633 -28.389  -8.463
  247    HG   LEU  37           HG       LEU  37  28.621 -29.543 -10.267
  248   HD11  LEU  37          HD11      LEU  37  28.882 -31.842  -9.333
  249   HD12  LEU  37          HD12      LEU  37  30.419 -31.349  -8.621
  250   HD13  LEU  37          HD13      LEU  37  30.228 -31.379 -10.374
  251   HD21  LEU  37          HD21      LEU  37  28.314 -28.418  -7.990
  252   HD22  LEU  37          HD22      LEU  37  29.002 -29.880  -7.282
  253   HD23  LEU  37          HD23      LEU  37  27.496 -29.967  -8.196
  254    H    VAL  38           HN       VAL  38  30.137 -25.317  -9.419
  255    HA   VAL  38           HA       VAL  38  27.192 -25.319  -9.094
  256    HB   VAL  38           HB       VAL  38  29.310 -23.953  -7.416
  257   HG11  VAL  38          HG11      VAL  38  27.572 -22.449  -7.216
  258   HG12  VAL  38          HG12      VAL  38  27.050 -23.631  -6.017
  259   HG13  VAL  38          HG13      VAL  38  26.347 -23.648  -7.635
  260   HG21  VAL  38          HG21      VAL  38  29.120 -26.345  -6.955
  261   HG22  VAL  38          HG22      VAL  38  27.363 -26.216  -6.868
  262   HG23  VAL  38          HG23      VAL  38  28.365 -25.442  -5.641
  263    H    PHE  39           HN       PHE  39  29.473 -24.186 -11.070
  264    HA   PHE  39           HA       PHE  39  28.170 -21.549 -11.402
  265    HB2  PHE  39           HB2      PHE  39  30.593 -21.476 -10.730
  266    HB3  PHE  39           HB1      PHE  39  30.976 -22.279 -12.251
  267    HD1  PHE  39           HD2      PHE  39  29.037 -19.348 -10.939
  268    HD2  PHE  39           HD1      PHE  39  31.398 -20.966 -14.142
  269    HE1  PHE  39           HE2      PHE  39  28.951 -17.163 -12.107
  270    HE2  PHE  39           HE1      PHE  39  31.313 -18.781 -15.309
  271    HZ   PHE  39           HZ       PHE  39  30.089 -16.879 -14.292
  272    H    LEU  40           HN       LEU  40  28.761 -24.603 -12.765
  273    HA   LEU  40           HA       LEU  40  27.914 -23.622 -15.425
  274    HB2  LEU  40           HB2      LEU  40  29.189 -25.403 -16.445
  275    HB3  LEU  40           HB1      LEU  40  30.252 -24.499 -15.369
  276    HG   LEU  40           HG       LEU  40  29.214 -26.401 -13.672
  277   HD11  LEU  40          HD11      LEU  40  29.891 -27.875 -16.219
  278   HD12  LEU  40          HD12      LEU  40  28.227 -27.446 -15.827
  279   HD13  LEU  40          HD13      LEU  40  29.140 -28.507 -14.754
  280   HD21  LEU  40          HD21      LEU  40  31.581 -25.710 -13.879
  281   HD22  LEU  40          HD22      LEU  40  31.709 -26.607 -15.391
  282   HD23  LEU  40          HD23      LEU  40  31.433 -27.467 -13.876
  283    H    LEU  41           HN       LEU  41  27.299 -25.685 -12.774
  284    HA   LEU  41           HA       LEU  41  25.223 -27.127 -14.308
  285    HB2  LEU  41           HB2      LEU  41  26.327 -28.912 -13.452
  286    HB3  LEU  41           HB1      LEU  41  27.127 -27.950 -12.218
  287    HG   LEU  41           HG       LEU  41  25.116 -28.022 -10.810
  288   HD11  LEU  41          HD11      LEU  41  23.852 -28.740 -13.301
  289   HD12  LEU  41          HD12      LEU  41  23.091 -28.369 -11.755
  290   HD13  LEU  41          HD13      LEU  41  23.574 -30.022 -12.125
  291   HD21  LEU  41          HD21      LEU  41  25.079 -30.843 -11.330
  292   HD22  LEU  41          HD22      LEU  41  25.889 -29.974 -10.026
  293   HD23  LEU  41          HD23      LEU  41  26.722 -30.241 -11.557
  294    H    GLY  42           HN       GLY  42  25.933 -25.544 -11.211
  295    HA2  GLY  42           HA2      GLY  42  23.111 -25.476 -10.499
  296    HA3  GLY  42           HA1      GLY  42  24.451 -24.870  -9.531
  297    H    THR  43           HN       THR  43  24.994 -23.696 -12.549
  298    HA   THR  43           HA       THR  43  23.316 -21.296 -12.144
  299    HB   THR  43           HB       THR  43  26.256 -21.312 -12.863
  300    HG1  THR  43           HG1      THR  43  25.145 -20.082 -10.614
  301   HG21  THR  43          HG21      THR  43  25.564 -18.744 -12.203
  302   HG22  THR  43          HG22      THR  43  24.115 -19.294 -13.043
  303   HG23  THR  43          HG23      THR  43  25.679 -19.352 -13.854
  304    H    THR  44           HN       THR  44  23.377 -23.736 -13.992
  305    HA   THR  44           HA       THR  44  23.257 -22.220 -16.532
  306    HB   THR  44           HB       THR  44  24.123 -25.095 -16.149
  307    HG1  THR  44           HG1      THR  44  26.125 -24.319 -16.701
  308   HG21  THR  44          HG21      THR  44  24.757 -24.665 -18.649
  309   HG22  THR  44          HG22      THR  44  23.553 -23.381 -18.551
  310   HG23  THR  44          HG23      THR  44  23.086 -25.054 -18.245
  311    H    GLY  45           HN       GLY  45  21.968 -24.846 -14.566
  312    HA2  GLY  45           HA2      GLY  45  19.445 -24.677 -16.103
  313    HA3  GLY  45           HA1      GLY  45  20.120 -26.232 -15.623
  314    H    ASN  46           HN       ASN  46  20.489 -23.535 -13.491
  315    HA   ASN  46           HA       ASN  46  18.227 -24.445 -11.831
  316    HB2  ASN  46           HB2      ASN  46  21.106 -24.122 -10.986
  317    HB3  ASN  46           HB1      ASN  46  19.774 -24.112  -9.832
  318   HD21  ASN  46          HD21      ASN  46  21.691 -26.155 -11.949
  319   HD22  ASN  46          HD22      ASN  46  20.981 -27.624 -11.481
  320    H    GLY  47           HN       GLY  47  20.709 -21.969 -12.386
  321    HA2  GLY  47           HA2      GLY  47  19.402 -19.968 -10.800
  322    HA3  GLY  47           HA1      GLY  47  20.731 -19.704 -11.924
  323    H    LEU  48           HN       LEU  48  19.589 -20.676 -14.278
  324    HA   LEU  48           HA       LEU  48  18.211 -18.451 -15.243
  325    HB2  LEU  48           HB2      LEU  48  19.339 -19.949 -16.766
  326    HB3  LEU  48           HB1      LEU  48  18.317 -21.297 -16.273
  327    HG   LEU  48           HG       LEU  48  16.359 -20.257 -17.258
  328   HD11  LEU  48          HD11      LEU  48  16.823 -18.066 -18.597
  329   HD12  LEU  48          HD12      LEU  48  18.210 -17.893 -17.523
  330   HD13  LEU  48          HD13      LEU  48  16.578 -17.949 -16.855
  331   HD21  LEU  48          HD21      LEU  48  18.624 -21.081 -18.704
  332   HD22  LEU  48          HD22      LEU  48  18.061 -19.622 -19.520
  333   HD23  LEU  48          HD23      LEU  48  16.968 -20.989 -19.301
  334    H    VAL  49           HN       VAL  49  16.938 -21.639 -14.282
  335    HA   VAL  49           HA       VAL  49  14.225 -21.090 -14.775
  336    HB   VAL  49           HB       VAL  49  15.648 -23.021 -12.957
  337   HG11  VAL  49          HG11      VAL  49  13.700 -22.736 -11.698
  338   HG12  VAL  49          HG12      VAL  49  13.223 -24.020 -12.808
  339   HG13  VAL  49          HG13      VAL  49  12.721 -22.357 -13.115
  340   HG21  VAL  49          HG21      VAL  49  14.975 -24.631 -14.565
  341   HG22  VAL  49          HG22      VAL  49  15.466 -23.236 -15.527
  342   HG23  VAL  49          HG23      VAL  49  13.754 -23.558 -15.249
  343    H    LEU  50           HN       LEU  50  15.644 -21.411 -11.522
  344    HA   LEU  50           HA       LEU  50  13.689 -20.258 -10.025
  345    HB2  LEU  50           HB2      LEU  50  16.683 -20.158  -9.754
  346    HB3  LEU  50           HB1      LEU  50  15.644 -19.355  -8.576
  347    HG   LEU  50           HG       LEU  50  15.000 -22.179  -9.323
  348   HD11  LEU  50          HD11      LEU  50  17.388 -21.261  -7.742
  349   HD12  LEU  50          HD12      LEU  50  17.266 -22.582  -8.905
  350   HD13  LEU  50          HD13      LEU  50  16.564 -22.756  -7.295
  351   HD21  LEU  50          HD21      LEU  50  13.771 -20.508  -7.688
  352   HD22  LEU  50          HD22      LEU  50  15.047 -20.983  -6.567
  353   HD23  LEU  50          HD23      LEU  50  13.960 -22.202  -7.233
  354    H    TRP  51           HN       TRP  51  15.834 -18.651 -12.237
  355    HA   TRP  51           HA       TRP  51  15.221 -15.990 -11.255
  356    HB2  TRP  51           HB2      TRP  51  17.415 -16.338 -12.195
  357    HB3  TRP  51           HB1      TRP  51  16.727 -16.980 -13.685
  358    HD1  TRP  51           HD1      TRP  51  17.367 -13.739 -11.821
  359    HE1  TRP  51           HE1      TRP  51  16.887 -11.752 -13.392
  360    HE3  TRP  51           HE3      TRP  51  15.281 -16.216 -15.768
  361    HZ2  TRP  51           HZ2      TRP  51  15.768 -11.275 -15.981
  362    HZ3  TRP  51           HZ3      TRP  51  14.517 -14.973 -17.772
  363    HH2  TRP  51           HH2      TRP  51  14.759 -12.508 -17.882
  364    H    THR  52           HN       THR  52  14.484 -17.915 -14.160
  365    HA   THR  52           HA       THR  52  12.811 -15.964 -15.366
  366    HB   THR  52           HB       THR  52  13.231 -18.913 -15.744
  367    HG1  THR  52           HG1      THR  52  14.630 -17.914 -16.960
  368   HG21  THR  52          HG21      THR  52  11.624 -18.561 -17.758
  369   HG22  THR  52          HG22      THR  52  10.993 -17.209 -16.818
  370   HG23  THR  52          HG23      THR  52  10.920 -18.847 -16.167
  371    H    VAL  53           HN       VAL  53  12.143 -18.779 -13.309
  372    HA   VAL  53           HA       VAL  53   9.343 -18.669 -13.378
  373    HB   VAL  53           HB       VAL  53  11.287 -19.660 -11.295
  374   HG11  VAL  53          HG11      VAL  53   8.305 -19.402 -11.207
  375   HG12  VAL  53          HG12      VAL  53   9.480 -19.268  -9.898
  376   HG13  VAL  53          HG13      VAL  53   9.040 -20.855 -10.528
  377   HG21  VAL  53          HG21      VAL  53  10.656 -21.827 -12.126
  378   HG22  VAL  53          HG22      VAL  53  10.987 -20.824 -13.539
  379   HG23  VAL  53          HG23      VAL  53   9.321 -21.148 -13.057
  380    H    PHE  54           HN       PHE  54  11.626 -17.185 -11.080
  381    HA   PHE  54           HA       PHE  54   9.779 -15.962  -9.389
  382    HB2  PHE  54           HB2      PHE  54  12.621 -15.469 -10.125
  383    HB3  PHE  54           HB1      PHE  54  11.761 -14.168  -9.297
  384    HD1  PHE  54           HD1      PHE  54  11.432 -17.885  -8.998
  385    HD2  PHE  54           HD2      PHE  54  12.477 -14.197  -7.059
  386    HE1  PHE  54           HE1      PHE  54  11.677 -19.087  -6.842
  387    HE2  PHE  54           HE2      PHE  54  12.722 -15.399  -4.904
  388    HZ   PHE  54           HZ       PHE  54  12.323 -17.844  -4.796
  389    H    ARG  55           HN       ARG  55  10.485 -15.295 -12.662
  390    HA   ARG  55           HA       ARG  55   9.301 -12.599 -12.487
  391    HB2  ARG  55           HB2      ARG  55  11.165 -13.951 -14.378
  392    HB3  ARG  55           HB1      ARG  55  10.066 -12.744 -15.046
  393    HG2  ARG  55           HG2      ARG  55  11.050 -11.004 -13.896
  394    HG3  ARG  55           HG1      ARG  55  11.513 -12.022 -12.534
  395    HD2  ARG  55           HD2      ARG  55  12.822 -12.536 -15.172
  396    HD3  ARG  55           HD1      ARG  55  13.328 -11.122 -14.254
  397    HE   ARG  55           HE       ARG  55  13.967 -13.833 -13.643
  398   HH11  ARG  55          HH21      ARG  55  13.120 -10.779 -12.253
  399   HH12  ARG  55          HH22      ARG  55  13.923 -11.085 -10.749
  400   HH21  ARG  55          HH11      ARG  55  15.017 -14.244 -11.670
  401   HH22  ARG  55          HH12      ARG  55  14.996 -13.047 -10.418
  402    H    LYS  56           HN       LYS  56   8.490 -15.786 -13.168
  403    HA   LYS  56           HA       LYS  56   6.293 -14.980 -14.966
  404    HB2  LYS  56           HB2      LYS  56   6.436 -17.005 -15.984
  405    HB3  LYS  56           HB1      LYS  56   8.060 -17.010 -15.304
  406    HG2  LYS  56           HG2      LYS  56   7.064 -18.152 -13.245
  407    HG3  LYS  56           HG1      LYS  56   5.580 -18.349 -14.178
  408    HD2  LYS  56           HD2      LYS  56   8.203 -19.290 -15.325
  409    HD3  LYS  56           HD1      LYS  56   7.331 -20.287 -14.164
  410    HE2  LYS  56           HE2      LYS  56   6.172 -19.200 -16.747
  411    HE3  LYS  56           HE1      LYS  56   6.705 -20.860 -16.486
  412    HZ1  LYS  56           HZ1      LYS  56   4.458 -19.442 -15.183
  413    HZ2  LYS  56           HZ2      LYS  56   5.097 -20.890 -14.568
  414    HZ3  LYS  56           HZ3      LYS  56   4.403 -20.857 -16.117
  415    H    LYS  57           HN       LYS  57   7.070 -16.171 -11.820
  416    HA   LYS  57           HA       LYS  57   4.254 -16.806 -11.266
  417    HB2  LYS  57           HB2      LYS  57   6.229 -18.304 -10.535
  418    HB3  LYS  57           HB1      LYS  57   6.538 -17.068  -9.315
  419    HG2  LYS  57           HG2      LYS  57   3.861 -17.390  -9.000
  420    HG3  LYS  57           HG1      LYS  57   4.313 -19.018  -9.508
  421    HD2  LYS  57           HD2      LYS  57   6.081 -19.039  -7.748
  422    HD3  LYS  57           HD1      LYS  57   5.515 -17.460  -7.200
  423    HE2  LYS  57           HE2      LYS  57   3.282 -18.414  -6.751
  424    HE3  LYS  57           HE1      LYS  57   3.849 -19.994  -7.293
  425    HZ1  LYS  57           HZ1      LYS  57   4.489 -20.331  -5.211
  426    HZ2  LYS  57           HZ2      LYS  57   4.210 -18.713  -4.775
  427    HZ3  LYS  57           HZ3      LYS  57   5.700 -19.169  -5.451
  428    H    GLY  58           HN       GLY  58   6.626 -14.364 -10.869
  429    HA2  GLY  58           HA2      GLY  58   5.760 -13.072  -8.529
  430    HA3  GLY  58           HA1      GLY  58   6.570 -12.289  -9.887
  431    H    HIS  59           HN       HIS  59   4.822 -12.657 -11.919
  432    HA   HIS  59           HA       HIS  59   2.143 -11.968 -11.223
  433    HB2  HIS  59           HB2      HIS  59   4.008  -9.851 -11.282
  434    HB3  HIS  59           HB1      HIS  59   3.063  -9.721 -12.764
  435    HD2  HIS  59           HD2      HIS  59   2.420  -9.700  -8.858
  436    HE1  HIS  59           HE1      HIS  59  -1.020  -8.218 -10.804
  437    HE2  HIS  59           HE2      HIS  59   0.067  -8.613  -8.544
  438    H    HIS  60           HN       HIS  60   3.893 -13.712 -12.978
  439    HA   HIS  60           HA       HIS  60   4.025 -14.432 -15.174
  440    HB2  HIS  60           HB2      HIS  60   1.889 -15.073 -16.030
  441    HB3  HIS  60           HB1      HIS  60   1.784 -15.185 -14.271
  442    HD2  HIS  60           HD2      HIS  60  -0.227 -13.619 -13.166
  443    HE1  HIS  60           HE1      HIS  60  -1.079 -11.286 -16.580
  444    HE2  HIS  60           HE2      HIS  60  -1.791 -11.801 -14.197
  445    H    HIS  61           HN       HIS  61   4.375 -11.519 -14.733
  446    HA   HIS  61           HA       HIS  61   3.331 -10.448 -17.278
  447    HB2  HIS  61           HB2      HIS  61   3.006  -9.217 -15.055
  448    HB3  HIS  61           HB1      HIS  61   4.736  -8.875 -15.122
  449    HD2  HIS  61           HD2      HIS  61   4.235  -8.579 -18.651
  450    HE1  HIS  61           HE1      HIS  61   2.535  -4.959 -17.298
  451    HE2  HIS  61           HE2      HIS  61   3.425  -6.191 -19.332
  452    H    HIS  62           HN       HIS  62   5.624  -8.390 -16.789
  453    HA   HIS  62           HA       HIS  62   7.587  -9.863 -18.414
  454    HB2  HIS  62           HB2      HIS  62   6.611  -7.109 -18.346
  455    HB3  HIS  62           HB1      HIS  62   8.371  -7.210 -18.380
  456    HD2  HIS  62           HD2      HIS  62   5.644  -7.128 -20.922
  457    HE1  HIS  62           HE1      HIS  62   8.611  -9.561 -22.682
  458    HE2  HIS  62           HE2      HIS  62   6.480  -8.252 -23.125
  459    H    HIS  63           HN       HIS  63   8.063  -7.052 -16.312
  460    HA   HIS  63           HA       HIS  63  10.348  -8.443 -15.085
  461    HB2  HIS  63           HB2      HIS  63  10.470  -6.091 -16.204
  462    HB3  HIS  63           HB1      HIS  63   9.724  -5.530 -14.706
  463    HD2  HIS  63           HD2      HIS  63  13.196  -6.650 -15.993
  464    HE1  HIS  63           HE1      HIS  63  13.506  -6.275 -11.799
  465    HE2  HIS  63           HE2      HIS  63  14.819  -6.602 -13.948
  466    H    HIS  64           HN       HIS  64   7.856  -9.297 -14.210
  467    HA   HIS  64           HA       HIS  64   6.469  -9.452 -12.361
  468    HB2  HIS  64           HB2      HIS  64   7.689  -9.857 -10.320
  469    HB3  HIS  64           HB1      HIS  64   8.636 -10.505 -11.659
  470    HD2  HIS  64           HD2      HIS  64  11.095  -9.190 -12.119
  471    HE1  HIS  64           HE1      HIS  64  10.732  -6.388  -8.982
  472    HE2  HIS  64           HE2      HIS  64  12.306  -7.337 -10.734
  Start of MODEL   35
    1    H1   MET   1           HT1      MET   1   0.876  -2.384 -22.857
    2    H2   MET   1           HT2      MET   1   2.528  -1.991 -22.873
    3    H3   MET   1           HT3      MET   1   1.604  -1.735 -21.470
    4    HA   MET   1           HA       MET   1   1.615  -3.905 -20.862
    5    HB2  MET   1           HB2      MET   1   2.071  -4.628 -23.773
    6    HB3  MET   1           HB1      MET   1   1.724  -5.751 -22.459
    7    HG2  MET   1           HG2      MET   1  -0.310  -3.817 -22.327
    8    HG3  MET   1           HG1      MET   1  -0.121  -4.173 -24.045
    9    HE1  MET   1           HE1      MET   1  -1.759  -6.036 -25.016
   10    HE2  MET   1           HE2      MET   1  -1.093  -7.626 -24.648
   11    HE3  MET   1           HE3      MET   1  -0.010  -6.299 -25.062
   12    H    GLU   2           HN       GLU   2   3.541  -2.973 -19.894
   13    HA   GLU   2           HA       GLU   2   6.082  -3.267 -21.248
   14    HB2  GLU   2           HB2      GLU   2   5.308  -2.443 -18.446
   15    HB3  GLU   2           HB1      GLU   2   6.985  -2.575 -18.979
   16    HG2  GLU   2           HG2      GLU   2   6.861  -0.697 -20.262
   17    HG3  GLU   2           HG1      GLU   2   5.217  -1.049 -20.792
   18    H    GLU   3           HN       GLU   3   7.461  -4.937 -21.112
   19    HA   GLU   3           HA       GLU   3   7.617  -6.732 -18.920
   20    HB2  GLU   3           HB2      GLU   3   5.423  -7.410 -20.076
   21    HB3  GLU   3           HB1      GLU   3   6.445  -8.003 -21.387
   22    HG2  GLU   3           HG2      GLU   3   6.440  -9.923 -20.147
   23    HG3  GLU   3           HG1      GLU   3   7.729  -9.099 -19.271
   24    H    GLY   4           HN       GLY   4   9.635  -5.426 -19.946
   25    HA2  GLY   4           HA2      GLY   4  11.410  -7.446 -20.885
   26    HA3  GLY   4           HA1      GLY   4  10.984  -6.344 -22.190
   27    H    GLY   5           HN       GLY   5  12.064  -6.272 -18.789
   28    HA2  GLY   5           HA2      GLY   5  13.345  -3.684 -19.199
   29    HA3  GLY   5           HA1      GLY   5  13.236  -4.568 -17.681
   30    H    ASP   6           HN       ASP   6  14.565  -6.589 -17.545
   31    HA   ASP   6           HA       ASP   6  16.609  -7.635 -17.603
   32    HB2  ASP   6           HB2      ASP   6  15.898  -7.792 -20.069
   33    HB3  ASP   6           HB1      ASP   6  17.015  -6.457 -20.345
   34    H    PHE   7           HN       PHE   7  16.699  -5.412 -16.162
   35    HA   PHE   7           HA       PHE   7  19.416  -4.498 -16.534
   36    HB2  PHE   7           HB2      PHE   7  17.079  -2.749 -17.136
   37    HB3  PHE   7           HB1      PHE   7  18.439  -2.034 -16.270
   38    HD1  PHE   7           HD2      PHE   7  20.834  -2.735 -17.253
   39    HD2  PHE   7           HD1      PHE   7  17.156  -2.712 -19.470
   40    HE1  PHE   7           HE2      PHE   7  22.112  -2.572 -19.372
   41    HE2  PHE   7           HE1      PHE   7  18.433  -2.549 -21.588
   42    HZ   PHE   7           HZ       PHE   7  20.911  -2.480 -21.540
   43    H    ASP   8           HN       ASP   8  19.650  -5.521 -14.497
   44    HA   ASP   8           HA       ASP   8  18.927  -3.789 -12.264
   45    HB2  ASP   8           HB2      ASP   8  18.108  -6.700 -12.392
   46    HB3  ASP   8           HB1      ASP   8  18.044  -5.704 -10.939
   47    H    ASN   9           HN       ASN   9  21.279  -5.105 -13.845
   48    HA   ASN   9           HA       ASN   9  22.711  -6.777 -12.102
   49    HB2  ASN   9           HB2      ASN   9  23.633  -4.845 -14.234
   50    HB3  ASN   9           HB1      ASN   9  24.729  -5.927 -13.375
   51   HD21  ASN   9          HD21      ASN   9  21.396  -6.485 -14.640
   52   HD22  ASN   9          HD22      ASN   9  21.830  -7.817 -15.597
   53    H    TYR  10           HN       TYR  10  24.227  -3.720 -12.821
   54    HA   TYR  10           HA       TYR  10  25.535  -3.322 -10.473
   55    HB2  TYR  10           HB2      TYR  10  24.765  -1.674 -12.699
   56    HB3  TYR  10           HB1      TYR  10  24.622  -0.750 -11.204
   57    HD1  TYR  10           HD2      TYR  10  26.572  -0.384  -9.751
   58    HD2  TYR  10           HD1      TYR  10  26.914  -2.518 -13.463
   59    HE1  TYR  10           HE2      TYR  10  29.040  -0.150  -9.658
   60    HE2  TYR  10           HE1      TYR  10  29.381  -2.285 -13.371
   61    HH   TYR  10           HH       TYR  10  31.049  -0.815 -12.330
   62    H    TYR  11           HN       TYR  11  25.068  -2.764  -8.423
   63    HA   TYR  11           HA       TYR  11  23.865  -2.167  -6.556
   64    HB2  TYR  11           HB2      TYR  11  23.236  -0.244  -8.321
   65    HB3  TYR  11           HB1      TYR  11  21.643  -0.976  -8.129
   66    HD1  TYR  11           HD2      TYR  11  24.418   0.733  -6.384
   67    HD2  TYR  11           HD1      TYR  11  20.448  -0.867  -6.024
   68    HE1  TYR  11           HE2      TYR  11  24.153   1.883  -4.204
   69    HE2  TYR  11           HE1      TYR  11  20.183   0.285  -3.843
   70    HH   TYR  11           HH       TYR  11  21.600   1.181  -2.055
   71    H    GLY  12           HN       GLY  12  23.515  -4.722  -7.657
   72    HA2  GLY  12           HA2      GLY  12  21.243  -5.646  -6.299
   73    HA3  GLY  12           HA1      GLY  12  20.825  -5.499  -8.003
   74    H    ALA  13           HN       ALA  13  23.736  -6.040  -8.645
   75    HA   ALA  13           HA       ALA  13  23.489  -8.959  -8.668
   76    HB1  ALA  13           HB1      ALA  13  24.220  -8.598 -10.764
   77    HB2  ALA  13           HB2      ALA  13  25.802  -8.286 -10.049
   78    HB3  ALA  13           HB3      ALA  13  24.707  -6.945 -10.388
   79    H    ASP  14           HN       ASP  14  25.398  -6.402  -7.280
   80    HA   ASP  14           HA       ASP  14  27.271  -8.368  -6.123
   81    HB2  ASP  14           HB2      ASP  14  27.426  -5.387  -6.548
   82    HB3  ASP  14           HB1      ASP  14  28.528  -6.231  -5.462
   83    H    ASN  15           HN       ASN  15  24.574  -6.415  -5.419
   84    HA   ASN  15           HA       ASN  15  24.982  -5.702  -2.748
   85    HB2  ASN  15           HB2      ASN  15  23.057  -4.754  -3.559
   86    HB3  ASN  15           HB1      ASN  15  22.602  -6.194  -4.467
   87   HD21  ASN  15          HD21      ASN  15  21.293  -7.780  -3.403
   88   HD22  ASN  15          HD22      ASN  15  20.687  -7.565  -1.833
   89    H    GLN  16           HN       GLN  16  24.505  -8.790  -4.183
   90    HA   GLN  16           HA       GLN  16  23.827 -10.013  -1.593
   91    HB2  GLN  16           HB2      GLN  16  23.066 -11.885  -2.776
   92    HB3  GLN  16           HB1      GLN  16  22.604 -10.542  -3.823
   93    HG2  GLN  16           HG2      GLN  16  24.965 -10.915  -4.896
   94    HG3  GLN  16           HG1      GLN  16  24.850 -12.511  -4.157
   95   HE21  GLN  16          HE21      GLN  16  23.652 -10.489  -6.749
   96   HE22  GLN  16          HE22      GLN  16  22.633 -11.654  -7.444
   97    H    SER  17           HN       SER  17  26.523  -9.154  -3.261
   98    HA   SER  17           HA       SER  17  28.065 -11.558  -2.563
   99    HB2  SER  17           HB2      SER  17  29.721 -10.799  -4.040
  100    HB3  SER  17           HB1      SER  17  28.224 -10.324  -4.837
  101    HG   SER  17           HG       SER  17  29.151  -8.482  -3.035
  102    H    GLU  18           HN       GLU  18  27.824  -8.103  -1.869
  103    HA   GLU  18           HA       GLU  18  30.078  -7.633  -0.377
  104    HB2  GLU  18           HB2      GLU  18  28.967  -5.811   0.550
  105    HB3  GLU  18           HB1      GLU  18  28.015  -6.108  -0.905
  106    HG2  GLU  18           HG2      GLU  18  26.590  -7.665   0.616
  107    HG3  GLU  18           HG1      GLU  18  27.351  -6.800   1.950
  108    H    CYS  19           HN       CYS  19  27.537  -9.821   0.320
  109    HA   CYS  19           HA       CYS  19  27.895  -9.921   3.170
  110    HB2  CYS  19           HB2      CYS  19  25.774 -10.610   2.252
  111    HB3  CYS  19           HB1      CYS  19  26.556 -11.807   1.221
  112    HG   CYS  19           HG       CYS  19  26.138 -13.327   3.147
  113    H    GLU  20           HN       GLU  20  29.053 -11.811   0.405
  114    HA   GLU  20           HA       GLU  20  30.693 -13.458   2.201
  115    HB2  GLU  20           HB2      GLU  20  30.879 -15.001   0.457
  116    HB3  GLU  20           HB1      GLU  20  29.250 -14.364   0.231
  117    HG2  GLU  20           HG2      GLU  20  30.411 -12.606  -1.306
  118    HG3  GLU  20           HG1      GLU  20  31.747 -13.756  -1.336
  119    H    TYR  21           HN       TYR  21  30.925 -10.627   0.437
  120    HA   TYR  21           HA       TYR  21  33.418 -10.711  -0.793
  121    HB2  TYR  21           HB2      TYR  21  31.997  -8.791  -1.075
  122    HB3  TYR  21           HB1      TYR  21  32.034  -8.447   0.654
  123    HD1  TYR  21           HD1      TYR  21  34.131  -7.656   1.736
  124    HD2  TYR  21           HD2      TYR  21  33.823  -8.171  -2.517
  125    HE1  TYR  21           HE1      TYR  21  36.174  -6.285   1.422
  126    HE2  TYR  21           HE2      TYR  21  35.867  -6.802  -2.832
  127    HH   TYR  21           HH       TYR  21  37.072  -4.969  -1.491
  128    H    THR  22           HN       THR  22  32.592 -10.478   2.598
  129    HA   THR  22           HA       THR  22  35.305  -9.833   3.411
  130    HB   THR  22           HB       THR  22  33.984 -10.619   5.690
  131    HG1  THR  22           HG1      THR  22  32.065 -10.938   4.561
  132   HG21  THR  22          HG21      THR  22  33.953  -7.917   4.318
  133   HG22  THR  22          HG22      THR  22  35.229  -8.530   5.369
  134   HG23  THR  22          HG23      THR  22  33.630  -8.189   6.030
  135    H    ASP  23           HN       ASP  23  34.044 -12.524   2.170
  136    HA   ASP  23           HA       ASP  23  35.720 -14.296   3.847
  137    HB2  ASP  23           HB2      ASP  23  33.083 -14.940   2.510
  138    HB3  ASP  23           HB1      ASP  23  34.125 -16.123   3.299
  139    H    TRP  24           HN       TRP  24  34.107 -14.118   0.670
  140    HA   TRP  24           HA       TRP  24  35.477 -15.944  -0.786
  141    HB2  TRP  24           HB2      TRP  24  34.098 -14.920  -2.247
  142    HB3  TRP  24           HB1      TRP  24  34.178 -13.387  -1.378
  143    HD1  TRP  24           HD1      TRP  24  35.622 -15.233  -4.315
  144    HE1  TRP  24           HE1      TRP  24  37.291 -13.711  -5.559
  145    HE3  TRP  24           HE3      TRP  24  35.988 -11.396  -0.964
  146    HZ2  TRP  24           HZ2      TRP  24  38.606 -11.200  -5.182
  147    HZ3  TRP  24           HZ3      TRP  24  37.455  -9.455  -1.431
  148    HH2  TRP  24           HH2      TRP  24  38.764  -9.351  -3.534
  149    H    LYS  25           HN       LYS  25  36.680 -12.789   0.243
  150    HA   LYS  25           HA       LYS  25  38.959 -12.493  -1.253
  151    HB2  LYS  25           HB2      LYS  25  38.032 -11.050   0.700
  152    HB3  LYS  25           HB1      LYS  25  39.061 -12.056   1.719
  153    HG2  LYS  25           HG2      LYS  25  41.007 -11.481   0.285
  154    HG3  LYS  25           HG1      LYS  25  39.969 -10.421  -0.669
  155    HD2  LYS  25           HD2      LYS  25  39.503  -9.049   1.302
  156    HD3  LYS  25           HD1      LYS  25  40.455 -10.138   2.311
  157    HE2  LYS  25           HE2      LYS  25  41.830  -8.219   1.733
  158    HE3  LYS  25           HE1      LYS  25  42.450  -9.634   0.881
  159    HZ1  LYS  25           HZ1      LYS  25  40.413  -8.066  -0.487
  160    HZ2  LYS  25           HZ2      LYS  25  41.788  -8.844  -1.111
  161    HZ3  LYS  25           HZ3      LYS  25  41.940  -7.344  -0.328
  162    H    SER  26           HN       SER  26  38.450 -14.620   1.515
  163    HA   SER  26           HA       SER  26  41.127 -15.798   1.066
  164    HB2  SER  26           HB2      SER  26  39.352 -15.844   3.515
  165    HB3  SER  26           HB1      SER  26  40.882 -16.704   3.370
  166    HG   SER  26           HG       SER  26  40.837 -13.989   2.729
  167    H    SER  27           HN       SER  27  37.695 -16.507   1.456
  168    HA   SER  27           HA       SER  27  38.182 -19.352   0.915
  169    HB2  SER  27           HB2      SER  27  35.627 -17.895   1.628
  170    HB3  SER  27           HB1      SER  27  35.797 -19.639   1.449
  171    HG   SER  27           HG       SER  27  35.982 -18.848   3.640
  172    H    GLY  28           HN       GLY  28  38.594 -17.301  -1.137
  173    HA2  GLY  28           HA2      GLY  28  36.679 -18.335  -3.133
  174    HA3  GLY  28           HA1      GLY  28  37.042 -16.615  -3.060
  175    H    ALA  29           HN       ALA  29  39.482 -19.023  -2.403
  176    HA   ALA  29           HA       ALA  29  40.701 -18.524  -5.051
  177    HB1  ALA  29           HB1      ALA  29  42.282 -17.334  -3.975
  178    HB2  ALA  29           HB2      ALA  29  42.848 -18.883  -3.352
  179    HB3  ALA  29           HB3      ALA  29  41.746 -17.895  -2.392
  180    H    LEU  30           HN       LEU  30  39.256 -20.797  -3.376
  181    HA   LEU  30           HA       LEU  30  40.850 -22.919  -4.566
  182    HB2  LEU  30           HB2      LEU  30  40.789 -24.190  -2.335
  183    HB3  LEU  30           HB1      LEU  30  41.980 -22.899  -2.493
  184    HG   LEU  30           HG       LEU  30  39.379 -21.953  -1.518
  185   HD11  LEU  30          HD11      LEU  30  39.389 -24.181  -0.453
  186   HD12  LEU  30          HD12      LEU  30  39.646 -22.911   0.744
  187   HD13  LEU  30          HD13      LEU  30  41.008 -23.875   0.174
  188   HD21  LEU  30          HD21      LEU  30  42.117 -21.793  -0.237
  189   HD22  LEU  30          HD22      LEU  30  40.769 -20.670  -0.055
  190   HD23  LEU  30          HD23      LEU  30  41.642 -20.756  -1.584
  191    H    ILE  31           HN       ILE  31  38.018 -21.930  -2.709
  192    HA   ILE  31           HA       ILE  31  36.586 -24.378  -3.147
  193    HB   ILE  31           HB       ILE  31  35.218 -21.800  -2.488
  194   HG12  ILE  31          HG12      ILE  31  37.262 -23.269  -0.839
  195   HG13  ILE  31          HG11      ILE  31  37.041 -21.531  -1.038
  196   HG21  ILE  31          HG21      ILE  31  34.173 -24.179  -2.705
  197   HG22  ILE  31          HG22      ILE  31  33.749 -23.199  -1.302
  198   HG23  ILE  31          HG23      ILE  31  34.947 -24.483  -1.150
  199   HD11  ILE  31          HD11      ILE  31  35.437 -23.453   0.637
  200   HD12  ILE  31          HD12      ILE  31  34.735 -21.925   0.104
  201   HD13  ILE  31          HD13      ILE  31  36.182 -21.928   1.114
  202    HA   PRO  32           HA       PRO  32  34.403 -21.369  -6.423
  203    HB2  PRO  32           HB2      PRO  32  36.962 -20.417  -7.621
  204    HB3  PRO  32           HB1      PRO  32  35.424 -19.558  -7.410
  205    HG2  PRO  32           HG2      PRO  32  37.508 -19.036  -5.854
  206    HG3  PRO  32           HG1      PRO  32  35.856 -19.046  -5.208
  207    HD2  PRO  32           HD2      PRO  32  38.014 -21.094  -4.905
  208    HD3  PRO  32           HD1      PRO  32  36.771 -20.591  -3.738
  209    H    ALA  33           HN       ALA  33  37.309 -23.279  -6.657
  210    HA   ALA  33           HA       ALA  33  37.184 -24.021  -9.369
  211    HB1  ALA  33           HB1      ALA  33  39.181 -24.587  -8.277
  212    HB2  ALA  33           HB2      ALA  33  38.375 -26.142  -8.475
  213    HB3  ALA  33           HB3      ALA  33  38.337 -25.322  -6.914
  214    H    ILE  34           HN       ILE  34  36.299 -26.114  -6.621
  215    HA   ILE  34           HA       ILE  34  34.796 -27.921  -8.152
  216    HB   ILE  34           HB       ILE  34  35.466 -27.521  -5.393
  217   HG12  ILE  34          HG12      ILE  34  35.972 -29.496  -6.804
  218   HG13  ILE  34          HG11      ILE  34  35.157 -29.944  -5.308
  219   HG21  ILE  34          HG21      ILE  34  32.560 -28.286  -5.853
  220   HG22  ILE  34          HG22      ILE  34  33.139 -26.843  -5.013
  221   HG23  ILE  34          HG23      ILE  34  33.432 -28.438  -4.331
  222   HD11  ILE  34          HD11      ILE  34  33.478 -30.895  -6.462
  223   HD12  ILE  34          HD12      ILE  34  34.356 -30.561  -7.954
  224   HD13  ILE  34          HD13      ILE  34  33.185 -29.394  -7.342
  225    H    TYR  35           HN       TYR  35  33.913 -24.933  -6.523
  226    HA   TYR  35           HA       TYR  35  31.121 -25.144  -6.677
  227    HB2  TYR  35           HB2      TYR  35  32.999 -23.176  -5.927
  228    HB3  TYR  35           HB1      TYR  35  31.957 -22.432  -7.137
  229    HD1  TYR  35           HD2      TYR  35  29.359 -23.186  -6.855
  230    HD2  TYR  35           HD1      TYR  35  32.282 -22.998  -3.713
  231    HE1  TYR  35           HE2      TYR  35  27.544 -22.981  -5.178
  232    HE2  TYR  35           HE1      TYR  35  30.468 -22.792  -2.036
  233    HH   TYR  35           HH       TYR  35  27.498 -23.630  -2.430
  234    H    MET  36           HN       MET  36  33.266 -23.300  -8.867
  235    HA   MET  36           HA       MET  36  31.528 -22.529 -10.801
  236    HB2  MET  36           HB2      MET  36  34.375 -23.381 -10.854
  237    HB3  MET  36           HB1      MET  36  33.552 -23.248 -12.409
  238    HG2  MET  36           HG2      MET  36  34.699 -21.123 -11.571
  239    HG3  MET  36           HG1      MET  36  33.006 -20.953 -12.034
  240    HE1  MET  36           HE1      MET  36  31.709 -19.061  -9.261
  241    HE2  MET  36           HE2      MET  36  31.177 -20.129 -10.557
  242    HE3  MET  36           HE3      MET  36  32.435 -18.936 -10.869
  243    H    LEU  37           HN       LEU  37  33.144 -25.708 -10.729
  244    HA   LEU  37           HA       LEU  37  31.901 -26.793 -12.992
  245    HB2  LEU  37           HB2      LEU  37  33.865 -27.768 -11.753
  246    HB3  LEU  37           HB1      LEU  37  32.731 -28.333 -10.526
  247    HG   LEU  37           HG       LEU  37  31.592 -29.128 -12.960
  248   HD11  LEU  37          HD11      LEU  37  34.575 -29.687 -12.905
  249   HD12  LEU  37          HD12      LEU  37  33.739 -28.672 -14.079
  250   HD13  LEU  37          HD13      LEU  37  33.423 -30.407 -14.030
  251   HD21  LEU  37          HD21      LEU  37  32.155 -31.395 -12.139
  252   HD22  LEU  37          HD22      LEU  37  31.569 -30.370 -10.828
  253   HD23  LEU  37          HD23      LEU  37  33.296 -30.692 -10.992
  254    H    VAL  38           HN       VAL  38  30.836 -26.575  -9.642
  255    HA   VAL  38           HA       VAL  38  28.398 -28.091 -10.260
  256    HB   VAL  38           HB       VAL  38  29.484 -26.984  -7.659
  257   HG11  VAL  38          HG11      VAL  38  27.594 -28.678  -6.859
  258   HG12  VAL  38          HG12      VAL  38  26.881 -28.253  -8.415
  259   HG13  VAL  38          HG13      VAL  38  27.210 -26.995  -7.222
  260   HG21  VAL  38          HG21      VAL  38  30.293 -29.099  -7.240
  261   HG22  VAL  38          HG22      VAL  38  30.394 -29.131  -9.000
  262   HG23  VAL  38          HG23      VAL  38  29.026 -29.884  -8.182
  263    H    PHE  39           HN       PHE  39  29.418 -25.017 -10.631
  264    HA   PHE  39           HA       PHE  39  26.938 -23.735  -9.730
  265    HB2  PHE  39           HB2      PHE  39  29.355 -22.779  -9.441
  266    HB3  PHE  39           HB1      PHE  39  29.176 -22.306 -11.130
  267    HD1  PHE  39           HD1      PHE  39  27.305 -22.194  -7.882
  268    HD2  PHE  39           HD2      PHE  39  28.138 -20.267 -11.629
  269    HE1  PHE  39           HE1      PHE  39  25.933 -20.247  -7.186
  270    HE2  PHE  39           HE2      PHE  39  26.767 -18.322 -10.934
  271    HZ   PHE  39           HZ       PHE  39  25.664 -18.312  -8.713
  272    H    LEU  40           HN       LEU  40  28.944 -23.763 -12.692
  273    HA   LEU  40           HA       LEU  40  26.867 -22.751 -14.348
  274    HB2  LEU  40           HB2      LEU  40  28.328 -23.426 -16.223
  275    HB3  LEU  40           HB1      LEU  40  29.228 -22.556 -14.979
  276    HG   LEU  40           HG       LEU  40  29.411 -25.173 -14.120
  277   HD11  LEU  40          HD11      LEU  40  29.881 -25.201 -17.108
  278   HD12  LEU  40          HD12      LEU  40  28.385 -25.786 -16.381
  279   HD13  LEU  40          HD13      LEU  40  29.918 -26.566 -15.993
  280   HD21  LEU  40          HD21      LEU  40  31.295 -23.643 -15.944
  281   HD22  LEU  40          HD22      LEU  40  31.748 -25.014 -14.933
  282   HD23  LEU  40          HD23      LEU  40  31.225 -23.503 -14.188
  283    H    LEU  41           HN       LEU  41  27.260 -25.734 -12.888
  284    HA   LEU  41           HA       LEU  41  26.090 -27.362 -14.974
  285    HB2  LEU  41           HB2      LEU  41  27.360 -27.798 -12.428
  286    HB3  LEU  41           HB1      LEU  41  25.810 -28.633 -12.462
  287    HG   LEU  41           HG       LEU  41  27.921 -28.850 -14.629
  288   HD11  LEU  41          HD11      LEU  41  27.672 -31.328 -13.480
  289   HD12  LEU  41          HD12      LEU  41  27.506 -30.272 -12.077
  290   HD13  LEU  41          HD13      LEU  41  28.946 -30.173 -13.090
  291   HD21  LEU  41          HD21      LEU  41  26.292 -29.850 -15.828
  292   HD22  LEU  41          HD22      LEU  41  25.137 -29.478 -14.547
  293   HD23  LEU  41          HD23      LEU  41  26.024 -31.003 -14.520
  294    H    GLY  42           HN       GLY  42  25.046 -26.411 -11.704
  295    HA2  GLY  42           HA2      GLY  42  22.291 -27.061 -12.288
  296    HA3  GLY  42           HA1      GLY  42  22.912 -26.382 -10.787
  297    H    THR  43           HN       THR  43  24.126 -24.073 -11.611
  298    HA   THR  43           HA       THR  43  22.056 -22.241 -11.761
  299    HB   THR  43           HB       THR  43  24.788 -21.715 -12.930
  300    HG1  THR  43           HG1      THR  43  25.164 -21.141 -10.606
  301   HG21  THR  43          HG21      THR  43  24.384 -19.497 -11.818
  302   HG22  THR  43          HG22      THR  43  22.755 -20.045 -11.424
  303   HG23  THR  43          HG23      THR  43  23.241 -19.861 -13.109
  304    H    THR  44           HN       THR  44  22.986 -24.365 -14.160
  305    HA   THR  44           HA       THR  44  22.034 -22.603 -16.322
  306    HB   THR  44           HB       THR  44  23.807 -25.022 -16.260
  307    HG1  THR  44           HG1      THR  44  23.941 -22.560 -17.654
  308   HG21  THR  44          HG21      THR  44  22.053 -24.064 -18.506
  309   HG22  THR  44          HG22      THR  44  22.360 -25.715 -17.967
  310   HG23  THR  44          HG23      THR  44  23.605 -24.829 -18.848
  311    H    GLY  45           HN       GLY  45  21.430 -25.551 -14.567
  312    HA2  GLY  45           HA2      GLY  45  18.932 -25.922 -16.116
  313    HA3  GLY  45           HA1      GLY  45  19.913 -27.281 -15.580
  314    H    ASN  46           HN       ASN  46  19.575 -24.484 -13.553
  315    HA   ASN  46           HA       ASN  46  17.389 -25.612 -12.000
  316    HB2  ASN  46           HB2      ASN  46  20.197 -25.396 -10.895
  317    HB3  ASN  46           HB1      ASN  46  18.759 -25.614  -9.901
  318   HD21  ASN  46          HD21      ASN  46  20.507 -27.146 -12.649
  319   HD22  ASN  46          HD22      ASN  46  20.031 -28.729 -12.258
  320    H    GLY  47           HN       GLY  47  20.069 -23.256 -11.878
  321    HA2  GLY  47           HA2      GLY  47  18.640 -21.348 -10.321
  322    HA3  GLY  47           HA1      GLY  47  20.111 -21.041 -11.237
  323    H    LEU  48           HN       LEU  48  19.164 -21.775 -13.795
  324    HA   LEU  48           HA       LEU  48  18.082 -19.377 -14.721
  325    HB2  LEU  48           HB2      LEU  48  19.228 -20.843 -16.245
  326    HB3  LEU  48           HB1      LEU  48  18.084 -22.148 -15.938
  327    HG   LEU  48           HG       LEU  48  16.301 -20.940 -17.030
  328   HD11  LEU  48          HD11      LEU  48  16.964 -18.677 -18.126
  329   HD12  LEU  48          HD12      LEU  48  18.274 -18.659 -16.946
  330   HD13  LEU  48          HD13      LEU  48  16.597 -18.682 -16.403
  331   HD21  LEU  48          HD21      LEU  48  18.571 -20.338 -18.879
  332   HD22  LEU  48          HD22      LEU  48  17.052 -21.175 -19.202
  333   HD23  LEU  48          HD23      LEU  48  18.355 -22.007 -18.353
  334    H    VAL  49           HN       VAL  49  16.423 -22.522 -14.343
  335    HA   VAL  49           HA       VAL  49  13.842 -21.619 -14.957
  336    HB   VAL  49           HB       VAL  49  14.891 -23.916 -13.322
  337   HG11  VAL  49          HG11      VAL  49  12.875 -23.564 -12.182
  338   HG12  VAL  49          HG12      VAL  49  12.385 -24.660 -13.474
  339   HG13  VAL  49          HG13      VAL  49  12.064 -22.931 -13.614
  340   HG21  VAL  49          HG21      VAL  49  14.893 -23.744 -15.914
  341   HG22  VAL  49          HG22      VAL  49  13.148 -23.962 -15.784
  342   HG23  VAL  49          HG23      VAL  49  14.240 -25.212 -15.187
  343    H    LEU  50           HN       LEU  50  15.083 -22.364 -11.689
  344    HA   LEU  50           HA       LEU  50  13.053 -21.266 -10.194
  345    HB2  LEU  50           HB2      LEU  50  16.008 -21.516  -9.714
  346    HB3  LEU  50           HB1      LEU  50  14.984 -20.702  -8.531
  347    HG   LEU  50           HG       LEU  50  14.101 -23.361  -9.588
  348   HD11  LEU  50          HD11      LEU  50  16.447 -22.839  -7.798
  349   HD12  LEU  50          HD12      LEU  50  16.226 -24.100  -9.012
  350   HD13  LEU  50          HD13      LEU  50  15.412 -24.224  -7.452
  351   HD21  LEU  50          HD21      LEU  50  12.946 -21.672  -7.884
  352   HD22  LEU  50          HD22      LEU  50  14.016 -22.469  -6.731
  353   HD23  LEU  50          HD23      LEU  50  12.839 -23.415  -7.643
  354    H    TRP  51           HN       TRP  51  15.598 -19.633 -11.941
  355    HA   TRP  51           HA       TRP  51  15.109 -17.052 -10.736
  356    HB2  TRP  51           HB2      TRP  51  17.329 -17.490 -11.548
  357    HB3  TRP  51           HB1      TRP  51  16.717 -17.923 -13.144
  358    HD1  TRP  51           HD1      TRP  51  17.491 -14.954 -10.926
  359    HE1  TRP  51           HE1      TRP  51  17.293 -12.790 -12.312
  360    HE3  TRP  51           HE3      TRP  51  15.469 -16.834 -15.222
  361    HZ2  TRP  51           HZ2      TRP  51  16.397 -11.962 -14.899
  362    HZ3  TRP  51           HZ3      TRP  51  14.954 -15.337 -17.130
  363    HH2  TRP  51           HH2      TRP  51  15.415 -12.906 -16.973
  364    H    THR  52           HN       THR  52  14.329 -18.667 -13.790
  365    HA   THR  52           HA       THR  52  13.024 -16.458 -15.000
  366    HB   THR  52           HB       THR  52  12.606 -19.419 -15.474
  367    HG1  THR  52           HG1      THR  52  14.261 -19.262 -16.855
  368   HG21  THR  52          HG21      THR  52  11.382 -17.043 -16.574
  369   HG22  THR  52          HG22      THR  52  11.021 -18.735 -16.915
  370   HG23  THR  52          HG23      THR  52  12.280 -17.902 -17.826
  371    H    VAL  53           HN       VAL  53  11.798 -19.288 -13.224
  372    HA   VAL  53           HA       VAL  53   9.073 -18.727 -13.374
  373    HB   VAL  53           HB       VAL  53  10.730 -20.110 -11.264
  374   HG11  VAL  53          HG11      VAL  53   7.767 -19.555 -11.365
  375   HG12  VAL  53          HG12      VAL  53   8.872 -19.381 -10.002
  376   HG13  VAL  53          HG13      VAL  53   8.394 -20.988 -10.551
  377   HG21  VAL  53          HG21      VAL  53   9.973 -22.096 -12.292
  378   HG22  VAL  53          HG22      VAL  53  10.284 -21.025 -13.657
  379   HG23  VAL  53          HG23      VAL  53   8.633 -21.276 -13.093
  380    H    PHE  54           HN       PHE  54  11.469 -17.666 -10.969
  381    HA   PHE  54           HA       PHE  54   9.653 -16.220  -9.350
  382    HB2  PHE  54           HB2      PHE  54  12.534 -16.585  -9.531
  383    HB3  PHE  54           HB1      PHE  54  12.102 -14.933  -9.090
  384    HD1  PHE  54           HD1      PHE  54  11.432 -18.508  -8.235
  385    HD2  PHE  54           HD2      PHE  54  11.366 -14.425  -6.903
  386    HE1  PHE  54           HE1      PHE  54  10.892 -19.267  -5.937
  387    HE2  PHE  54           HE2      PHE  54  10.827 -15.183  -4.604
  388    HZ   PHE  54           HZ       PHE  54  10.589 -17.605  -4.122
  389    H    ARG  55           HN       ARG  55  11.314 -15.473 -12.325
  390    HA   ARG  55           HA       ARG  55  10.771 -12.625 -12.173
  391    HB2  ARG  55           HB2      ARG  55  12.531 -14.261 -13.653
  392    HB3  ARG  55           HB1      ARG  55  11.417 -13.564 -14.822
  393    HG2  ARG  55           HG2      ARG  55  13.269 -12.031 -14.558
  394    HG3  ARG  55           HG1      ARG  55  11.842 -11.309 -13.824
  395    HD2  ARG  55           HD2      ARG  55  14.332 -11.694 -12.608
  396    HD3  ARG  55           HD1      ARG  55  12.838 -11.219 -11.809
  397    HE   ARG  55           HE       ARG  55  12.567 -13.879 -11.838
  398   HH11  ARG  55          HH21      ARG  55  15.273 -11.856 -11.077
  399   HH12  ARG  55          HH22      ARG  55  15.979 -12.988  -9.976
  400   HH21  ARG  55          HH11      ARG  55  13.496 -15.367 -10.403
  401   HH22  ARG  55          HH12      ARG  55  14.973 -14.974  -9.590
  402    H    LYS  56           HN       LYS  56   9.044 -15.405 -13.029
  403    HA   LYS  56           HA       LYS  56   7.304 -13.951 -14.899
  404    HB2  LYS  56           HB2      LYS  56   6.929 -15.927 -15.916
  405    HB3  LYS  56           HB1      LYS  56   8.307 -16.511 -14.987
  406    HG2  LYS  56           HG2      LYS  56   6.687 -17.152 -13.148
  407    HG3  LYS  56           HG1      LYS  56   5.370 -16.755 -14.257
  408    HD2  LYS  56           HD2      LYS  56   7.188 -18.419 -15.679
  409    HD3  LYS  56           HD1      LYS  56   6.903 -19.173 -14.111
  410    HE2  LYS  56           HE2      LYS  56   4.730 -18.210 -15.993
  411    HE3  LYS  56           HE1      LYS  56   5.229 -19.890 -15.798
  412    HZ1  LYS  56           HZ1      LYS  56   4.771 -19.410 -13.309
  413    HZ2  LYS  56           HZ2      LYS  56   3.473 -19.744 -14.351
  414    HZ3  LYS  56           HZ3      LYS  56   3.816 -18.142 -13.904
  415    H    LYS  57           HN       LYS  57   7.352 -15.460 -11.739
  416    HA   LYS  57           HA       LYS  57   4.485 -15.033 -11.369
  417    HB2  LYS  57           HB2      LYS  57   4.782 -16.169  -9.247
  418    HB3  LYS  57           HB1      LYS  57   5.598 -17.094 -10.507
  419    HG2  LYS  57           HG2      LYS  57   7.438 -17.005  -9.201
  420    HG3  LYS  57           HG1      LYS  57   7.545 -15.304  -9.652
  421    HD2  LYS  57           HD2      LYS  57   7.571 -15.351  -7.261
  422    HD3  LYS  57           HD1      LYS  57   5.952 -14.824  -7.719
  423    HE2  LYS  57           HE2      LYS  57   5.172 -16.508  -6.433
  424    HE3  LYS  57           HE1      LYS  57   5.765 -17.607  -7.677
  425    HZ1  LYS  57           HZ1      LYS  57   6.757 -17.159  -5.046
  426    HZ2  LYS  57           HZ2      LYS  57   7.978 -16.938  -6.206
  427    HZ3  LYS  57           HZ3      LYS  57   7.124 -18.406  -6.136
  428    H    GLY  58           HN       GLY  58   7.391 -13.346 -10.928
  429    HA2  GLY  58           HA2      GLY  58   6.432 -11.746  -8.681
  430    HA3  GLY  58           HA1      GLY  58   8.002 -11.612  -9.467
  431    H    HIS  59           HN       HIS  59   7.497 -11.172 -12.043
  432    HA   HIS  59           HA       HIS  59   6.554  -8.484 -12.072
  433    HB2  HIS  59           HB2      HIS  59   8.289  -9.872 -13.624
  434    HB3  HIS  59           HB1      HIS  59   6.859  -9.882 -14.656
  435    HD2  HIS  59           HD2      HIS  59   8.371  -6.909 -12.454
  436    HE1  HIS  59           HE1      HIS  59   7.627  -5.520 -16.371
  437    HE2  HIS  59           HE2      HIS  59   8.443  -4.852 -14.061
  438    H    HIS  60           HN       HIS  60   4.778 -11.096 -11.707
  439    HA   HIS  60           HA       HIS  60   2.867 -11.185 -13.732
  440    HB2  HIS  60           HB2      HIS  60   3.198 -12.497 -11.388
  441    HB3  HIS  60           HB1      HIS  60   1.851 -11.442 -10.964
  442    HD2  HIS  60           HD2      HIS  60   0.513 -11.615 -14.119
  443    HE1  HIS  60           HE1      HIS  60   0.038 -15.677 -13.074
  444    HE2  HIS  60           HE2      HIS  60  -0.704 -13.855 -14.681
  445    H    HIS  61           HN       HIS  61   3.019  -9.101 -10.860
  446    HA   HIS  61           HA       HIS  61   1.259  -7.186 -12.210
  447    HB2  HIS  61           HB2      HIS  61   0.722  -8.185  -9.401
  448    HB3  HIS  61           HB1      HIS  61  -0.197  -6.955 -10.271
  449    HD2  HIS  61           HD2      HIS  61  -0.518 -10.630  -9.635
  450    HE1  HIS  61           HE1      HIS  61  -2.299 -10.066 -13.421
  451    HE2  HIS  61           HE2      HIS  61  -2.019 -11.690 -11.489
  452    H    HIS  62           HN       HIS  62   0.902  -5.566  -9.886
  453    HA   HIS  62           HA       HIS  62   3.590  -4.411  -9.732
  454    HB2  HIS  62           HB2      HIS  62   0.856  -3.361  -8.977
  455    HB3  HIS  62           HB1      HIS  62   2.355  -2.483  -8.667
  456    HD2  HIS  62           HD2      HIS  62   1.085  -4.281 -12.007
  457    HE1  HIS  62           HE1      HIS  62   2.444  -0.391 -12.928
  458    HE2  HIS  62           HE2      HIS  62   1.487  -2.532 -13.903
  459    H    HIS  63           HN       HIS  63   0.913  -4.791  -7.397
  460    HA   HIS  63           HA       HIS  63   2.899  -5.128  -5.259
  461    HB2  HIS  63           HB2      HIS  63   1.080  -3.450  -4.976
  462    HB3  HIS  63           HB1      HIS  63  -0.099  -4.761  -5.053
  463    HD2  HIS  63           HD2      HIS  63  -0.453  -3.751  -2.203
  464    HE1  HIS  63           HE1      HIS  63   2.756  -6.151  -0.875
  465    HE2  HIS  63           HE2      HIS  63   0.749  -4.786  -0.129
  466    H    HIS  64           HN       HIS  64   2.655  -7.283  -7.033
  467    HA   HIS  64           HA       HIS  64   2.206  -9.542  -7.140
  468    HB2  HIS  64           HB2      HIS  64   2.297  -9.425  -4.127
  469    HB3  HIS  64           HB1      HIS  64   2.800 -10.745  -5.183
  470    HD2  HIS  64           HD2      HIS  64   4.742  -9.003  -7.229
  471    HE1  HIS  64           HE1      HIS  64   6.786  -7.882  -3.709
  472    HE2  HIS  64           HE2      HIS  64   6.945  -8.008  -6.241
  Start of MODEL   36
    1    H1   MET   1           HT1      MET   1  37.942  -5.380 -22.049
    2    H2   MET   1           HT2      MET   1  37.831  -4.843 -23.658
    3    H3   MET   1           HT3      MET   1  37.177  -6.347 -23.214
    4    HA   MET   1           HA       MET   1  35.661  -4.244 -23.489
    5    HB2  MET   1           HB2      MET   1  35.493  -6.333 -21.299
    6    HB3  MET   1           HB1      MET   1  34.154  -5.276 -21.750
    7    HG2  MET   1           HG2      MET   1  33.661  -6.549 -23.543
    8    HG3  MET   1           HG1      MET   1  35.333  -6.503 -24.101
    9    HE1  MET   1           HE1      MET   1  33.236  -7.473 -21.305
   10    HE2  MET   1           HE2      MET   1  33.842  -8.996 -20.661
   11    HE3  MET   1           HE3      MET   1  32.705  -9.008 -22.007
   12    H    GLU   2           HN       GLU   2  36.517  -5.070 -20.129
   13    HA   GLU   2           HA       GLU   2  36.038  -2.343 -19.285
   14    HB2  GLU   2           HB2      GLU   2  37.040  -4.758 -17.757
   15    HB3  GLU   2           HB1      GLU   2  36.599  -3.211 -17.035
   16    HG2  GLU   2           HG2      GLU   2  34.598  -4.497 -18.832
   17    HG3  GLU   2           HG1      GLU   2  34.843  -5.223 -17.244
   18    H    GLU   3           HN       GLU   3  37.840  -1.696 -20.892
   19    HA   GLU   3           HA       GLU   3  39.903  -0.725 -21.171
   20    HB2  GLU   3           HB2      GLU   3  39.288  -0.442 -18.443
   21    HB3  GLU   3           HB1      GLU   3  40.957  -1.013 -18.497
   22    HG2  GLU   3           HG2      GLU   3  41.513   0.773 -20.112
   23    HG3  GLU   3           HG1      GLU   3  39.850   1.351 -20.040
   24    H    GLY   4           HN       GLY   4  42.098  -1.285 -21.469
   25    HA2  GLY   4           HA2      GLY   4  43.207  -3.703 -20.376
   26    HA3  GLY   4           HA1      GLY   4  42.706  -3.892 -22.054
   27    H    GLY   5           HN       GLY   5  45.309  -3.280 -20.202
   28    HA2  GLY   5           HA2      GLY   5  46.714  -1.954 -22.414
   29    HA3  GLY   5           HA1      GLY   5  46.813  -1.224 -20.814
   30    H    ASP   6           HN       ASP   6  48.956  -1.563 -20.387
   31    HA   ASP   6           HA       ASP   6  49.800  -3.960 -19.262
   32    HB2  ASP   6           HB2      ASP   6  51.538  -4.488 -21.174
   33    HB3  ASP   6           HB1      ASP   6  49.909  -5.158 -21.236
   34    H    PHE   7           HN       PHE   7  50.329  -1.957 -17.996
   35    HA   PHE   7           HA       PHE   7  52.710  -0.520 -18.903
   36    HB2  PHE   7           HB2      PHE   7  50.894   0.758 -17.849
   37    HB3  PHE   7           HB1      PHE   7  51.056  -0.212 -16.386
   38    HD1  PHE   7           HD2      PHE   7  52.956   2.062 -18.661
   39    HD2  PHE   7           HD1      PHE   7  52.644   0.350 -14.734
   40    HE1  PHE   7           HE2      PHE   7  54.764   3.561 -17.865
   41    HE2  PHE   7           HE1      PHE   7  54.452   1.850 -13.937
   42    HZ   PHE   7           HZ       PHE   7  55.512   3.455 -15.502
   43    H    ASP   8           HN       ASP   8  54.704  -1.102 -18.345
   44    HA   ASP   8           HA       ASP   8  56.387  -2.401 -17.432
   45    HB2  ASP   8           HB2      ASP   8  55.414  -0.574 -15.603
   46    HB3  ASP   8           HB1      ASP   8  55.419  -2.083 -14.692
   47    H    ASN   9           HN       ASN   9  53.720  -3.738 -17.959
   48    HA   ASN   9           HA       ASN   9  52.980  -5.595 -16.068
   49    HB2  ASN   9           HB2      ASN   9  52.969  -5.514 -19.029
   50    HB3  ASN   9           HB1      ASN   9  52.803  -7.110 -18.299
   51   HD21  ASN   9          HD21      ASN   9  51.610  -4.008 -16.953
   52   HD22  ASN   9          HD22      ASN   9  49.971  -4.446 -16.997
   53    H    TYR  10           HN       TYR  10  55.296  -6.314 -18.693
   54    HA   TYR  10           HA       TYR  10  56.277  -8.653 -17.394
   55    HB2  TYR  10           HB2      TYR  10  57.943  -7.311 -19.455
   56    HB3  TYR  10           HB1      TYR  10  57.473  -9.005 -19.311
   57    HD1  TYR  10           HD1      TYR  10  55.206  -9.748 -20.017
   58    HD2  TYR  10           HD2      TYR  10  56.580  -5.728 -20.654
   59    HE1  TYR  10           HE1      TYR  10  53.375  -9.381 -21.649
   60    HE2  TYR  10           HE2      TYR  10  54.748  -5.362 -22.286
   61    HH   TYR  10           HH       TYR  10  52.091  -7.294 -22.529
   62    H    TYR  11           HN       TYR  11  56.421  -6.471 -15.625
   63    HA   TYR  11           HA       TYR  11  59.118  -6.699 -14.737
   64    HB2  TYR  11           HB2      TYR  11  58.852  -4.785 -16.675
   65    HB3  TYR  11           HB1      TYR  11  58.594  -3.838 -15.213
   66    HD1  TYR  11           HD1      TYR  11  60.285  -5.192 -13.238
   67    HD2  TYR  11           HD2      TYR  11  61.045  -4.339 -17.379
   68    HE1  TYR  11           HE1      TYR  11  62.725  -5.219 -12.795
   69    HE2  TYR  11           HE2      TYR  11  63.485  -4.367 -16.936
   70    HH   TYR  11           HH       TYR  11  65.059  -4.369 -15.321
   71    H    GLY  12           HN       GLY  12  56.540  -7.169 -13.679
   72    HA2  GLY  12           HA2      GLY  12  56.596  -6.530 -11.108
   73    HA3  GLY  12           HA1      GLY  12  56.014  -5.010 -11.778
   74    H    ALA  13           HN       ALA  13  55.204  -8.048 -13.264
   75    HA   ALA  13           HA       ALA  13  52.395  -7.674 -12.423
   76    HB1  ALA  13           HB1      ALA  13  52.579  -7.533 -14.803
   77    HB2  ALA  13           HB2      ALA  13  51.909  -9.125 -14.444
   78    HB3  ALA  13           HB3      ALA  13  53.613  -8.961 -14.871
   79    H    ASP  14           HN       ASP  14  55.010 -10.014 -12.746
   80    HA   ASP  14           HA       ASP  14  53.375 -12.150 -11.612
   81    HB2  ASP  14           HB2      ASP  14  56.305 -12.476 -12.022
   82    HB3  ASP  14           HB1      ASP  14  54.990 -13.604 -12.347
   83    H    ASN  15           HN       ASN  15  55.770  -9.828 -10.648
   84    HA   ASN  15           HA       ASN  15  56.858 -10.990  -8.373
   85    HB2  ASN  15           HB2      ASN  15  57.013  -8.528  -9.555
   86    HB3  ASN  15           HB1      ASN  15  56.139  -8.150  -8.071
   87   HD21  ASN  15          HD21      ASN  15  59.104  -9.832  -9.226
   88   HD22  ASN  15          HD22      ASN  15  59.993  -9.547  -7.808
   89    H    GLN  16           HN       GLN  16  53.620 -10.129  -8.985
   90    HA   GLN  16           HA       GLN  16  52.956 -10.029  -6.118
   91    HB2  GLN  16           HB2      GLN  16  50.911  -9.031  -6.721
   92    HB3  GLN  16           HB1      GLN  16  52.076  -8.315  -7.837
   93    HG2  GLN  16           HG2      GLN  16  51.426 -10.380  -9.351
   94    HG3  GLN  16           HG1      GLN  16  49.963 -10.375  -8.367
   95   HE21  GLN  16          HE21      GLN  16  49.038  -7.958  -8.112
   96   HE22  GLN  16          HE22      GLN  16  48.981  -7.072  -9.558
   97    H    SER  17           HN       SER  17  53.015 -12.147  -8.771
   98    HA   SER  17           HA       SER  17  50.910 -13.872  -7.663
   99    HB2  SER  17           HB2      SER  17  50.829 -13.491 -10.074
  100    HB3  SER  17           HB1      SER  17  52.488 -14.059 -10.239
  101    HG   SER  17           HG       SER  17  50.306 -15.493 -10.315
  102    H    GLU  18           HN       GLU  18  54.361 -13.615  -8.022
  103    HA   GLU  18           HA       GLU  18  55.146 -16.274  -7.683
  104    HB2  GLU  18           HB2      GLU  18  57.273 -15.448  -7.225
  105    HB3  GLU  18           HB1      GLU  18  56.550 -14.108  -8.114
  106    HG2  GLU  18           HG2      GLU  18  55.786 -13.271  -5.768
  107    HG3  GLU  18           HG1      GLU  18  57.027 -14.362  -5.154
  108    H    CYS  19           HN       CYS  19  53.294 -14.432  -5.624
  109    HA   CYS  19           HA       CYS  19  54.265 -15.780  -3.192
  110    HB2  CYS  19           HB2      CYS  19  53.999 -13.405  -2.914
  111    HB3  CYS  19           HB1      CYS  19  52.376 -13.454  -3.601
  112    HG   CYS  19           HG       CYS  19  52.406 -13.505  -0.879
  113    H    GLU  20           HN       GLU  20  51.455 -15.434  -5.288
  114    HA   GLU  20           HA       GLU  20  49.851 -17.208  -3.616
  115    HB2  GLU  20           HB2      GLU  20  48.030 -16.587  -4.925
  116    HB3  GLU  20           HB1      GLU  20  49.029 -15.136  -4.991
  117    HG2  GLU  20           HG2      GLU  20  50.089 -16.244  -7.098
  118    HG3  GLU  20           HG1      GLU  20  48.641 -17.250  -7.098
  119    H    TYR  21           HN       TYR  21  51.829 -17.318  -6.470
  120    HA   TYR  21           HA       TYR  21  50.874 -19.519  -7.835
  121    HB2  TYR  21           HB2      TYR  21  52.693 -18.488  -8.858
  122    HB3  TYR  21           HB1      TYR  21  53.635 -18.444  -7.367
  123    HD1  TYR  21           HD1      TYR  21  54.742 -20.480  -6.511
  124    HD2  TYR  21           HD2      TYR  21  52.626 -20.470 -10.248
  125    HE1  TYR  21           HE1      TYR  21  55.828 -22.622  -7.131
  126    HE2  TYR  21           HE2      TYR  21  53.712 -22.611 -10.870
  127    HH   TYR  21           HH       TYR  21  55.341 -24.555  -8.651
  128    H    THR  22           HN       THR  22  52.729 -19.412  -4.843
  129    HA   THR  22           HA       THR  22  53.165 -22.251  -4.716
  130    HB   THR  22           HB       THR  22  54.462 -20.300  -3.540
  131    HG1  THR  22           HG1      THR  22  54.002 -22.897  -2.947
  132   HG21  THR  22          HG21      THR  22  53.697 -19.636  -1.424
  133   HG22  THR  22          HG22      THR  22  52.567 -20.985  -1.305
  134   HG23  THR  22          HG23      THR  22  52.222 -19.637  -2.391
  135    H    ASP  23           HN       ASP  23  50.547 -20.161  -3.994
  136    HA   ASP  23           HA       ASP  23  49.304 -22.073  -2.151
  137    HB2  ASP  23           HB2      ASP  23  49.264 -19.308  -2.289
  138    HB3  ASP  23           HB1      ASP  23  47.696 -19.769  -2.949
  139    H    TRP  24           HN       TRP  24  48.484 -20.373  -5.182
  140    HA   TRP  24           HA       TRP  24  46.108 -21.572  -5.825
  141    HB2  TRP  24           HB2      TRP  24  46.628 -20.072  -7.455
  142    HB3  TRP  24           HB1      TRP  24  48.351 -20.443  -7.391
  143    HD1  TRP  24           HD1      TRP  24  45.059 -21.806  -8.828
  144    HE1  TRP  24           HE1      TRP  24  45.612 -23.320 -10.841
  145    HE3  TRP  24           HE3      TRP  24  50.157 -21.832  -8.539
  146    HZ2  TRP  24           HZ2      TRP  24  47.914 -24.399 -12.154
  147    HZ3  TRP  24           HZ3      TRP  24  51.504 -23.109 -10.180
  148    HH2  TRP  24           HH2      TRP  24  50.390 -24.392 -11.986
  149    H    LYS  25           HN       LYS  25  49.348 -22.824  -6.643
  150    HA   LYS  25           HA       LYS  25  48.639 -25.146  -7.954
  151    HB2  LYS  25           HB2      LYS  25  50.969 -24.318  -7.646
  152    HB3  LYS  25           HB1      LYS  25  50.911 -24.874  -5.974
  153    HG2  LYS  25           HG2      LYS  25  50.528 -27.173  -6.716
  154    HG3  LYS  25           HG1      LYS  25  50.482 -26.644  -8.398
  155    HD2  LYS  25           HD2      LYS  25  52.816 -25.834  -8.196
  156    HD3  LYS  25           HD1      LYS  25  52.861 -26.415  -6.530
  157    HE2  LYS  25           HE2      LYS  25  52.196 -28.709  -7.502
  158    HE3  LYS  25           HE1      LYS  25  52.642 -28.034  -9.070
  159    HZ1  LYS  25           HZ1      LYS  25  54.778 -27.346  -7.758
  160    HZ2  LYS  25           HZ2      LYS  25  54.624 -28.908  -8.407
  161    HZ3  LYS  25           HZ3      LYS  25  54.334 -28.638  -6.754
  162    H    SER  26           HN       SER  26  48.257 -24.359  -4.611
  163    HA   SER  26           HA       SER  26  47.705 -27.163  -3.914
  164    HB2  SER  26           HB2      SER  26  48.503 -24.746  -2.407
  165    HB3  SER  26           HB1      SER  26  47.365 -25.814  -1.593
  166    HG   SER  26           HG       SER  26  49.433 -26.527  -1.155
  167    H    SER  27           HN       SER  27  46.226 -23.930  -3.738
  168    HA   SER  27           HA       SER  27  43.646 -25.064  -3.013
  169    HB2  SER  27           HB2      SER  27  44.803 -22.330  -3.236
  170    HB3  SER  27           HB1      SER  27  43.062 -22.495  -3.442
  171    HG   SER  27           HG       SER  27  44.159 -23.927  -1.350
  172    H    GLY  28           HN       GLY  28  45.163 -25.299  -5.741
  173    HA2  GLY  28           HA2      GLY  28  42.812 -24.637  -7.421
  174    HA3  GLY  28           HA1      GLY  28  44.468 -24.451  -7.991
  175    H    ALA  29           HN       ALA  29  43.264 -27.110  -6.012
  176    HA   ALA  29           HA       ALA  29  43.293 -28.916  -8.321
  177    HB1  ALA  29           HB1      ALA  29  45.059 -30.185  -7.662
  178    HB2  ALA  29           HB2      ALA  29  44.714 -29.956  -5.947
  179    HB3  ALA  29           HB3      ALA  29  45.563 -28.703  -6.851
  180    H    LEU  30           HN       LEU  30  41.846 -27.823  -5.563
  181    HA   LEU  30           HA       LEU  30  40.209 -30.260  -5.379
  182    HB2  LEU  30           HB2      LEU  30  40.138 -29.931  -2.873
  183    HB3  LEU  30           HB1      LEU  30  41.680 -30.502  -3.509
  184    HG   LEU  30           HG       LEU  30  41.620 -27.616  -3.553
  185   HD11  LEU  30          HD11      LEU  30  39.985 -27.911  -1.697
  186   HD12  LEU  30          HD12      LEU  30  41.500 -27.200  -1.143
  187   HD13  LEU  30          HD13      LEU  30  41.166 -28.905  -0.844
  188   HD21  LEU  30          HD21      LEU  30  43.246 -29.646  -1.987
  189   HD22  LEU  30          HD22      LEU  30  43.661 -27.941  -2.175
  190   HD23  LEU  30          HD23      LEU  30  43.647 -29.006  -3.581
  191    H    ILE  31           HN       ILE  31  40.574 -26.806  -4.804
  192    HA   ILE  31           HA       ILE  31  37.843 -26.390  -4.036
  193    HB   ILE  31           HB       ILE  31  39.545 -24.201  -5.157
  194   HG12  ILE  31          HG12      ILE  31  40.006 -25.747  -2.602
  195   HG13  ILE  31          HG11      ILE  31  41.184 -25.321  -3.842
  196   HG21  ILE  31          HG21      ILE  31  37.118 -24.151  -4.065
  197   HG22  ILE  31          HG22      ILE  31  38.281 -22.861  -3.759
  198   HG23  ILE  31          HG23      ILE  31  38.052 -24.142  -2.568
  199   HD11  ILE  31          HD11      ILE  31  39.893 -23.531  -1.788
  200   HD12  ILE  31          HD12      ILE  31  40.610 -22.864  -3.255
  201   HD13  ILE  31          HD13      ILE  31  41.608 -23.769  -2.116
  202    HA   PRO  32           HA       PRO  32  37.670 -24.889  -8.705
  203    HB2  PRO  32           HB2      PRO  32  39.210 -27.096  -9.940
  204    HB3  PRO  32           HB1      PRO  32  39.236 -25.362 -10.304
  205    HG2  PRO  32           HG2      PRO  32  41.255 -26.587  -9.042
  206    HG3  PRO  32           HG1      PRO  32  40.797 -24.910  -8.697
  207    HD2  PRO  32           HD2      PRO  32  40.262 -27.380  -7.096
  208    HD3  PRO  32           HD1      PRO  32  40.610 -25.729  -6.540
  209    H    ALA  33           HN       ALA  33  37.719 -28.136  -7.454
  210    HA   ALA  33           HA       ALA  33  36.057 -29.437  -9.303
  211    HB1  ALA  33           HB1      ALA  33  35.475 -30.417  -6.695
  212    HB2  ALA  33           HB2      ALA  33  37.187 -30.000  -6.741
  213    HB3  ALA  33           HB3      ALA  33  36.524 -31.132  -7.918
  214    H    ILE  34           HN       ILE  34  35.022 -28.367  -6.056
  215    HA   ILE  34           HA       ILE  34  32.276 -28.479  -6.600
  216    HB   ILE  34           HB       ILE  34  33.925 -27.014  -4.560
  217   HG12  ILE  34          HG12      ILE  34  31.703 -29.053  -4.259
  218   HG13  ILE  34          HG11      ILE  34  33.396 -29.506  -4.463
  219   HG21  ILE  34          HG21      ILE  34  31.580 -26.506  -3.536
  220   HG22  ILE  34          HG22      ILE  34  30.997 -26.685  -5.190
  221   HG23  ILE  34          HG23      ILE  34  32.189 -25.444  -4.805
  222   HD11  ILE  34          HD11      ILE  34  32.846 -27.462  -2.386
  223   HD12  ILE  34          HD12      ILE  34  33.974 -28.817  -2.361
  224   HD13  ILE  34          HD13      ILE  34  32.261 -29.088  -2.039
  225    H    TYR  35           HN       TYR  35  34.513 -25.715  -6.706
  226    HA   TYR  35           HA       TYR  35  32.891 -23.618  -7.282
  227    HB2  TYR  35           HB2      TYR  35  35.630 -24.259  -7.733
  228    HB3  TYR  35           HB1      TYR  35  34.999 -23.513  -9.201
  229    HD1  TYR  35           HD2      TYR  35  33.797 -21.293  -9.044
  230    HD2  TYR  35           HD1      TYR  35  35.993 -22.976  -5.759
  231    HE1  TYR  35           HE2      TYR  35  33.864 -19.068  -7.949
  232    HE2  TYR  35           HE1      TYR  35  36.059 -20.752  -4.663
  233    HH   TYR  35           HH       TYR  35  35.531 -18.607  -4.828
  234    H    MET  36           HN       MET  36  34.017 -26.037  -9.636
  235    HA   MET  36           HA       MET  36  32.773 -24.969 -11.904
  236    HB2  MET  36           HB2      MET  36  33.872 -27.596 -11.113
  237    HB3  MET  36           HB1      MET  36  32.686 -27.631 -12.416
  238    HG2  MET  36           HG2      MET  36  35.112 -27.325 -13.140
  239    HG3  MET  36           HG1      MET  36  33.974 -26.126 -13.755
  240    HE1  MET  36           HE1      MET  36  35.567 -24.198 -14.272
  241    HE2  MET  36           HE2      MET  36  35.529 -22.976 -13.004
  242    HE3  MET  36           HE3      MET  36  34.043 -23.799 -13.469
  243    H    LEU  37           HN       LEU  37  31.572 -27.578  -9.765
  244    HA   LEU  37           HA       LEU  37  29.054 -27.787 -11.002
  245    HB2  LEU  37           HB2      LEU  37  30.365 -29.075  -8.911
  246    HB3  LEU  37           HB1      LEU  37  28.961 -28.330  -8.146
  247    HG   LEU  37           HG       LEU  37  27.561 -29.303 -10.048
  248   HD11  LEU  37          HD11      LEU  37  28.545 -30.510 -11.686
  249   HD12  LEU  37          HD12      LEU  37  29.483 -31.448 -10.524
  250   HD13  LEU  37          HD13      LEU  37  30.086 -29.891 -11.090
  251   HD21  LEU  37          HD21      LEU  37  28.164 -31.774  -9.019
  252   HD22  LEU  37          HD22      LEU  37  27.145 -30.584  -8.209
  253   HD23  LEU  37          HD23      LEU  37  28.854 -30.709  -7.793
  254    H    VAL  38           HN       VAL  38  30.225 -25.709  -8.396
  255    HA   VAL  38           HA       VAL  38  27.598 -24.627  -7.855
  256    HB   VAL  38           HB       VAL  38  30.383 -23.946  -6.920
  257   HG11  VAL  38          HG11      VAL  38  29.109 -22.340  -5.354
  258   HG12  VAL  38          HG12      VAL  38  27.798 -22.431  -6.529
  259   HG13  VAL  38          HG13      VAL  38  29.373 -21.798  -7.011
  260   HG21  VAL  38          HG21      VAL  38  27.938 -24.677  -5.307
  261   HG22  VAL  38          HG22      VAL  38  29.635 -24.811  -4.846
  262   HG23  VAL  38          HG23      VAL  38  28.954 -25.917  -6.040
  263    H    PHE  39           HN       PHE  39  29.878 -24.197 -10.273
  264    HA   PHE  39           HA       PHE  39  29.143 -21.390 -10.744
  265    HB2  PHE  39           HB2      PHE  39  31.505 -21.776 -10.892
  266    HB3  PHE  39           HB1      PHE  39  31.269 -23.168 -11.950
  267    HD1  PHE  39           HD1      PHE  39  30.715 -19.480 -11.726
  268    HD2  PHE  39           HD2      PHE  39  31.137 -22.898 -14.292
  269    HE1  PHE  39           HE1      PHE  39  30.767 -17.987 -13.705
  270    HE2  PHE  39           HE2      PHE  39  31.189 -21.405 -16.272
  271    HZ   PHE  39           HZ       PHE  39  31.005 -18.949 -15.978
  272    H    LEU  40           HN       LEU  40  29.364 -24.464 -12.549
  273    HA   LEU  40           HA       LEU  40  27.636 -23.411 -14.639
  274    HB2  LEU  40           HB2      LEU  40  28.082 -25.474 -15.803
  275    HB3  LEU  40           HB1      LEU  40  29.605 -24.879 -15.142
  276    HG   LEU  40           HG       LEU  40  28.617 -26.423 -13.072
  277   HD11  LEU  40          HD11      LEU  40  27.785 -28.470 -13.969
  278   HD12  LEU  40          HD12      LEU  40  28.180 -27.992 -15.620
  279   HD13  LEU  40          HD13      LEU  40  26.857 -27.199 -14.765
  280   HD21  LEU  40          HD21      LEU  40  30.453 -27.231 -15.350
  281   HD22  LEU  40          HD22      LEU  40  30.364 -28.038 -13.785
  282   HD23  LEU  40          HD23      LEU  40  30.936 -26.373 -13.887
  283    H    LEU  41           HN       LEU  41  27.394 -25.321 -11.780
  284    HA   LEU  41           HA       LEU  41  24.612 -26.056 -12.467
  285    HB2  LEU  41           HB2      LEU  41  26.776 -27.630 -11.478
  286    HB3  LEU  41           HB1      LEU  41  25.549 -27.536 -10.215
  287    HG   LEU  41           HG       LEU  41  25.019 -28.276 -13.097
  288   HD11  LEU  41          HD11      LEU  41  25.368 -29.941 -10.597
  289   HD12  LEU  41          HD12      LEU  41  26.260 -30.070 -12.112
  290   HD13  LEU  41          HD13      LEU  41  24.567 -30.554 -12.043
  291   HD21  LEU  41          HD21      LEU  41  22.998 -29.147 -11.287
  292   HD22  LEU  41          HD22      LEU  41  22.854 -27.940 -12.565
  293   HD23  LEU  41          HD23      LEU  41  23.318 -27.449 -10.937
  294    H    GLY  42           HN       GLY  42  25.800 -23.565 -11.264
  295    HA2  GLY  42           HA2      GLY  42  23.888 -23.347  -9.068
  296    HA3  GLY  42           HA1      GLY  42  25.576 -23.083  -8.650
  297    H    THR  43           HN       THR  43  26.231 -21.848 -11.232
  298    HA   THR  43           HA       THR  43  24.820 -19.265 -10.889
  299    HB   THR  43           HB       THR  43  27.649 -19.540 -11.888
  300    HG1  THR  43           HG1      THR  43  26.955 -20.312  -9.578
  301   HG21  THR  43          HG21      THR  43  26.721 -17.220 -10.311
  302   HG22  THR  43          HG22      THR  43  25.923 -17.428 -11.870
  303   HG23  THR  43          HG23      THR  43  27.678 -17.266 -11.792
  304    H    THR  44           HN       THR  44  24.024 -21.386 -12.682
  305    HA   THR  44           HA       THR  44  24.253 -19.900 -15.209
  306    HB   THR  44           HB       THR  44  24.659 -22.887 -14.943
  307    HG1  THR  44           HG1      THR  44  26.324 -20.750 -14.956
  308   HG21  THR  44          HG21      THR  44  23.855 -22.905 -17.054
  309   HG22  THR  44          HG22      THR  44  25.349 -22.083 -17.504
  310   HG23  THR  44          HG23      THR  44  23.894 -21.145 -17.166
  311    H    GLY  45           HN       GLY  45  22.786 -22.865 -13.863
  312    HA2  GLY  45           HA2      GLY  45  20.320 -22.358 -15.323
  313    HA3  GLY  45           HA1      GLY  45  20.675 -23.762 -14.322
  314    H    ASN  46           HN       ASN  46  21.646 -21.619 -12.271
  315    HA   ASN  46           HA       ASN  46  19.287 -21.640 -10.683
  316    HB2  ASN  46           HB2      ASN  46  21.896 -20.139 -10.424
  317    HB3  ASN  46           HB1      ASN  46  20.616 -20.078  -9.213
  318   HD21  ASN  46          HD21      ASN  46  21.295 -23.023 -11.067
  319   HD22  ASN  46          HD22      ASN  46  21.910 -23.909  -9.757
  320    H    GLY  47           HN       GLY  47  21.055 -18.936 -12.210
  321    HA2  GLY  47           HA2      GLY  47  19.183 -16.932 -11.623
  322    HA3  GLY  47           HA1      GLY  47  20.338 -16.880 -12.952
  323    H    LEU  48           HN       LEU  48  19.576 -18.850 -14.613
  324    HA   LEU  48           HA       LEU  48  17.497 -17.797 -16.095
  325    HB2  LEU  48           HB2      LEU  48  19.175 -19.581 -16.801
  326    HB3  LEU  48           HB1      LEU  48  18.115 -20.751 -16.014
  327    HG   LEU  48           HG       LEU  48  16.243 -19.562 -17.451
  328   HD11  LEU  48          HD11      LEU  48  18.407 -19.281 -19.474
  329   HD12  LEU  48          HD12      LEU  48  18.288 -18.000 -18.269
  330   HD13  LEU  48          HD13      LEU  48  16.907 -18.372 -19.297
  331   HD21  LEU  48          HD21      LEU  48  17.062 -21.139 -19.417
  332   HD22  LEU  48          HD22      LEU  48  16.533 -21.828 -17.882
  333   HD23  LEU  48          HD23      LEU  48  18.254 -21.648 -18.221
  334    H    VAL  49           HN       VAL  49  17.361 -20.416 -13.699
  335    HA   VAL  49           HA       VAL  49  14.610 -20.968 -13.945
  336    HB   VAL  49           HB       VAL  49  16.669 -21.423 -11.808
  337   HG11  VAL  49          HG11      VAL  49  14.747 -22.767 -10.681
  338   HG12  VAL  49          HG12      VAL  49  13.676 -21.692 -11.576
  339   HG13  VAL  49          HG13      VAL  49  14.817 -21.026 -10.409
  340   HG21  VAL  49          HG21      VAL  49  14.865 -23.491 -13.004
  341   HG22  VAL  49          HG22      VAL  49  16.555 -23.625 -12.519
  342   HG23  VAL  49          HG23      VAL  49  16.132 -22.807 -14.022
  343    H    LEU  50           HN       LEU  50  16.298 -19.081 -11.418
  344    HA   LEU  50           HA       LEU  50  13.977 -18.051 -10.210
  345    HB2  LEU  50           HB2      LEU  50  16.737 -16.815 -10.378
  346    HB3  LEU  50           HB1      LEU  50  15.476 -16.347  -9.240
  347    HG   LEU  50           HG       LEU  50  16.699 -19.119  -9.434
  348   HD11  LEU  50          HD11      LEU  50  17.911 -18.590  -7.436
  349   HD12  LEU  50          HD12      LEU  50  17.041 -17.070  -7.233
  350   HD13  LEU  50          HD13      LEU  50  18.194 -17.256  -8.554
  351   HD21  LEU  50          HD21      LEU  50  14.488 -17.899  -7.819
  352   HD22  LEU  50          HD22      LEU  50  15.520 -19.101  -7.046
  353   HD23  LEU  50          HD23      LEU  50  14.616 -19.521  -8.499
  354    H    TRP  51           HN       TRP  51  15.288 -17.421 -13.243
  355    HA   TRP  51           HA       TRP  51  14.140 -14.718 -13.385
  356    HB2  TRP  51           HB2      TRP  51  16.287 -14.706 -14.312
  357    HB3  TRP  51           HB1      TRP  51  16.054 -16.269 -15.094
  358    HD1  TRP  51           HD1      TRP  51  14.925 -12.614 -15.350
  359    HE1  TRP  51           HE1      TRP  51  14.145 -12.178 -17.774
  360    HE3  TRP  51           HE3      TRP  51  15.236 -17.340 -17.243
  361    HZ2  TRP  51           HZ2      TRP  51  13.727 -13.639 -20.197
  362    HZ3  TRP  51           HZ3      TRP  51  14.643 -17.794 -19.611
  363    HH2  TRP  51           HH2      TRP  51  13.885 -15.949 -21.084
  364    H    THR  52           HN       THR  52  13.861 -17.944 -14.779
  365    HA   THR  52           HA       THR  52  11.747 -17.147 -16.590
  366    HB   THR  52           HB       THR  52  12.803 -19.875 -15.822
  367    HG1  THR  52           HG1      THR  52  13.818 -19.719 -17.815
  368   HG21  THR  52          HG21      THR  52  10.683 -20.382 -16.612
  369   HG22  THR  52          HG22      THR  52  11.580 -20.329 -18.129
  370   HG23  THR  52          HG23      THR  52  10.609 -18.943 -17.630
  371    H    VAL  53           HN       VAL  53  12.061 -18.921 -13.550
  372    HA   VAL  53           HA       VAL  53   9.323 -19.588 -13.265
  373    HB   VAL  53           HB       VAL  53  11.590 -19.330 -11.278
  374   HG11  VAL  53          HG11      VAL  53   8.687 -20.076 -10.890
  375   HG12  VAL  53          HG12      VAL  53   9.663 -18.944  -9.953
  376   HG13  VAL  53          HG13      VAL  53   9.945 -20.679  -9.810
  377   HG21  VAL  53          HG21      VAL  53  11.353 -21.822 -11.275
  378   HG22  VAL  53          HG22      VAL  53  11.781 -21.185 -12.863
  379   HG23  VAL  53          HG23      VAL  53  10.122 -21.678 -12.530
  380    H    PHE  54           HN       PHE  54  11.258 -16.798 -12.431
  381    HA   PHE  54           HA       PHE  54   9.531 -15.501 -10.649
  382    HB2  PHE  54           HB2      PHE  54  11.828 -14.787 -12.331
  383    HB3  PHE  54           HB1      PHE  54  10.703 -13.452 -12.074
  384    HD1  PHE  54           HD2      PHE  54  11.659 -16.327  -9.867
  385    HD2  PHE  54           HD1      PHE  54  11.609 -12.066 -10.409
  386    HE1  PHE  54           HE2      PHE  54  12.536 -16.024  -7.566
  387    HE2  PHE  54           HE1      PHE  54  12.485 -11.763  -8.109
  388    HZ   PHE  54           HZ       PHE  54  12.948 -13.742  -6.688
  389    H    ARG  55           HN       ARG  55   9.320 -15.978 -14.065
  390    HA   ARG  55           HA       ARG  55   7.278 -13.900 -14.366
  391    HB2  ARG  55           HB2      ARG  55   8.500 -15.781 -16.397
  392    HB3  ARG  55           HB1      ARG  55   7.369 -14.476 -16.758
  393    HG2  ARG  55           HG2      ARG  55   8.927 -12.818 -16.334
  394    HG3  ARG  55           HG1      ARG  55   9.836 -13.815 -15.198
  395    HD2  ARG  55           HD2      ARG  55  10.898 -15.018 -16.918
  396    HD3  ARG  55           HD1      ARG  55   9.703 -14.534 -18.114
  397    HE   ARG  55           HE       ARG  55  11.307 -12.394 -16.963
  398   HH11  ARG  55          HH21      ARG  55  10.828 -14.692 -19.507
  399   HH12  ARG  55          HH22      ARG  55  11.763 -13.809 -20.663
  400   HH21  ARG  55          HH11      ARG  55  12.529 -11.227 -18.482
  401   HH22  ARG  55          HH12      ARG  55  12.730 -11.852 -20.086
  402    H    LYS  56           HN       LYS  56   7.573 -17.317 -13.927
  403    HA   LYS  56           HA       LYS  56   4.844 -17.822 -14.853
  404    HB2  LYS  56           HB2      LYS  56   5.438 -20.007 -15.031
  405    HB3  LYS  56           HB1      LYS  56   7.072 -19.349 -15.007
  406    HG2  LYS  56           HG2      LYS  56   7.010 -19.615 -12.467
  407    HG3  LYS  56           HG1      LYS  56   5.525 -20.540 -12.684
  408    HD2  LYS  56           HD2      LYS  56   8.017 -21.277 -14.217
  409    HD3  LYS  56           HD1      LYS  56   7.774 -21.837 -12.565
  410    HE2  LYS  56           HE2      LYS  56   5.592 -22.813 -13.232
  411    HE3  LYS  56           HE1      LYS  56   5.885 -22.297 -14.893
  412    HZ1  LYS  56           HZ1      LYS  56   6.512 -24.619 -14.491
  413    HZ2  LYS  56           HZ2      LYS  56   7.656 -24.107 -13.345
  414    HZ3  LYS  56           HZ3      LYS  56   7.833 -23.674 -14.977
  415    H    LYS  57           HN       LYS  57   6.651 -17.379 -11.920
  416    HA   LYS  57           HA       LYS  57   4.311 -18.155 -10.302
  417    HB2  LYS  57           HB2      LYS  57   6.756 -19.013  -9.890
  418    HB3  LYS  57           HB1      LYS  57   6.979 -17.433  -9.138
  419    HG2  LYS  57           HG2      LYS  57   4.653 -18.098  -7.979
  420    HG3  LYS  57           HG1      LYS  57   5.279 -19.723  -8.269
  421    HD2  LYS  57           HD2      LYS  57   7.485 -18.823  -7.236
  422    HD3  LYS  57           HD1      LYS  57   6.481 -17.516  -6.608
  423    HE2  LYS  57           HE2      LYS  57   6.045 -20.479  -6.134
  424    HE3  LYS  57           HE1      LYS  57   6.641 -19.317  -4.949
  425    HZ1  LYS  57           HZ1      LYS  57   4.593 -18.580  -4.550
  426    HZ2  LYS  57           HZ2      LYS  57   4.038 -19.969  -5.359
  427    HZ3  LYS  57           HZ3      LYS  57   4.191 -18.499  -6.197
  428    H    GLY  58           HN       GLY  58   5.811 -15.478 -11.646
  429    HA2  GLY  58           HA2      GLY  58   5.168 -13.625  -9.487
  430    HA3  GLY  58           HA1      GLY  58   5.924 -13.219 -11.025
  431    H    HIS  59           HN       HIS  59   3.916 -14.638 -12.610
  432    HA   HIS  59           HA       HIS  59   2.145 -12.563 -13.167
  433    HB2  HIS  59           HB2      HIS  59   2.501 -15.328 -13.992
  434    HB3  HIS  59           HB1      HIS  59   0.797 -14.878 -13.932
  435    HD2  HIS  59           HD2      HIS  59   3.624 -14.600 -16.399
  436    HE1  HIS  59           HE1      HIS  59   1.079 -11.357 -17.313
  437    HE2  HIS  59           HE2      HIS  59   3.040 -12.743 -18.139
  438    H    HIS  60           HN       HIS  60   1.536 -15.546 -11.308
  439    HA   HIS  60           HA       HIS  60  -1.100 -14.701 -10.522
  440    HB2  HIS  60           HB2      HIS  60   0.641 -16.922  -9.425
  441    HB3  HIS  60           HB1      HIS  60  -1.084 -16.715  -9.124
  442    HD2  HIS  60           HD2      HIS  60  -2.732 -17.074 -11.514
  443    HE1  HIS  60           HE1      HIS  60   0.292 -19.107 -13.648
  444    HE2  HIS  60           HE2      HIS  60  -2.181 -18.530 -13.610
  445    H    HIS  61           HN       HIS  61   0.167 -12.564  -9.822
  446    HA   HIS  61           HA       HIS  61   1.467 -12.568  -7.294
  447    HB2  HIS  61           HB2      HIS  61   1.624 -10.741  -9.011
  448    HB3  HIS  61           HB1      HIS  61  -0.023 -10.274  -8.586
  449    HD2  HIS  61           HD2      HIS  61   3.365 -10.754  -6.517
  450    HE1  HIS  61           HE1      HIS  61   1.125  -7.594  -4.837
  451    HE2  HIS  61           HE2      HIS  61   3.292  -8.908  -4.673
  452    H    HIS  62           HN       HIS  62  -1.888 -12.066  -8.307
  453    HA   HIS  62           HA       HIS  62  -2.898 -12.901  -5.764
  454    HB2  HIS  62           HB2      HIS  62  -2.118 -10.337  -5.643
  455    HB3  HIS  62           HB1      HIS  62  -3.728 -10.104  -6.324
  456    HD2  HIS  62           HD2      HIS  62  -2.084 -11.147  -2.948
  457    HE1  HIS  62           HE1      HIS  62  -6.269 -11.394  -2.450
  458    HE2  HIS  62           HE2      HIS  62  -4.036 -11.480  -1.245
  459    H    HIS  63           HN       HIS  63  -3.966 -10.591  -8.269
  460    HA   HIS  63           HA       HIS  63  -6.383 -12.231  -8.649
  461    HB2  HIS  63           HB2      HIS  63  -5.716  -9.360  -9.295
  462    HB3  HIS  63           HB1      HIS  63  -7.143 -10.163  -9.950
  463    HD2  HIS  63           HD2      HIS  63  -6.500  -7.989  -7.039
  464    HE1  HIS  63           HE1      HIS  63  -9.293 -10.787  -5.557
  465    HE2  HIS  63           HE2      HIS  63  -8.175  -8.550  -5.116
  466    H    HIS  64           HN       HIS  64  -4.031 -13.278  -9.720
  467    HA   HIS  64           HA       HIS  64  -3.063 -14.017 -11.677
  468    HB2  HIS  64           HB2      HIS  64  -5.828 -13.584 -12.822
  469    HB3  HIS  64           HB1      HIS  64  -4.616 -14.752 -13.349
  470    HD2  HIS  64           HD2      HIS  64  -7.434 -16.027 -12.295
  471    HE1  HIS  64           HE1      HIS  64  -5.357 -16.874  -8.718
  472    HE2  HIS  64           HE2      HIS  64  -7.421 -17.426 -10.091
  Start of MODEL   37
    1    H1   MET   1           HT1      MET   1  15.942 -32.163 -19.040
    2    H2   MET   1           HT2      MET   1  17.635 -32.018 -19.028
    3    H3   MET   1           HT3      MET   1  16.661 -30.674 -18.660
    4    HA   MET   1           HA       MET   1  15.825 -31.840 -16.682
    5    HB2  MET   1           HB2      MET   1  16.706 -34.084 -17.915
    6    HB3  MET   1           HB1      MET   1  18.076 -33.770 -16.849
    7    HG2  MET   1           HG2      MET   1  16.523 -33.624 -14.920
    8    HG3  MET   1           HG1      MET   1  15.174 -33.994 -15.995
    9    HE1  MET   1           HE1      MET   1  15.941 -37.134 -13.676
   10    HE2  MET   1           HE2      MET   1  14.943 -35.698 -13.892
   11    HE3  MET   1           HE3      MET   1  16.584 -35.536 -13.272
   12    H    GLU   2           HN       GLU   2  16.543 -30.366 -15.283
   13    HA   GLU   2           HA       GLU   2  17.948 -28.889 -14.205
   14    HB2  GLU   2           HB2      GLU   2  19.334 -31.542 -14.143
   15    HB3  GLU   2           HB1      GLU   2  20.164 -30.124 -13.502
   16    HG2  GLU   2           HG2      GLU   2  18.493 -29.739 -11.872
   17    HG3  GLU   2           HG1      GLU   2  17.335 -30.784 -12.693
   18    H    GLU   3           HN       GLU   3  18.183 -27.582 -16.149
   19    HA   GLU   3           HA       GLU   3  20.861 -26.943 -16.723
   20    HB2  GLU   3           HB2      GLU   3  19.852 -29.117 -18.272
   21    HB3  GLU   3           HB1      GLU   3  20.032 -27.720 -19.334
   22    HG2  GLU   3           HG2      GLU   3  22.350 -27.405 -18.477
   23    HG3  GLU   3           HG1      GLU   3  22.164 -28.865 -17.507
   24    H    GLY   4           HN       GLY   4  21.004 -25.358 -18.597
   25    HA2  GLY   4           HA2      GLY   4  18.694 -24.171 -19.711
   26    HA3  GLY   4           HA1      GLY   4  19.150 -23.289 -18.257
   27    H    GLY   5           HN       GLY   5  20.113 -21.465 -18.903
   28    HA2  GLY   5           HA2      GLY   5  22.059 -21.582 -21.121
   29    HA3  GLY   5           HA1      GLY   5  21.217 -20.132 -20.586
   30    H    ASP   6           HN       ASP   6  22.565 -18.749 -19.640
   31    HA   ASP   6           HA       ASP   6  24.087 -19.417 -17.340
   32    HB2  ASP   6           HB2      ASP   6  26.340 -18.834 -18.451
   33    HB3  ASP   6           HB1      ASP   6  25.701 -20.458 -18.697
   34    H    PHE   7           HN       PHE   7  22.459 -17.537 -17.156
   35    HA   PHE   7           HA       PHE   7  23.992 -15.041 -17.429
   36    HB2  PHE   7           HB2      PHE   7  21.049 -15.184 -18.090
   37    HB3  PHE   7           HB1      PHE   7  22.152 -13.830 -18.341
   38    HD1  PHE   7           HD2      PHE   7  23.875 -13.915 -20.111
   39    HD2  PHE   7           HD1      PHE   7  21.011 -17.076 -19.602
   40    HE1  PHE   7           HE2      PHE   7  24.437 -14.788 -22.364
   41    HE2  PHE   7           HE1      PHE   7  21.573 -17.948 -21.854
   42    HZ   PHE   7           HZ       PHE   7  23.286 -16.804 -23.235
   43    H    ASP   8           HN       ASP   8  24.187 -15.923 -15.092
   44    HA   ASP   8           HA       ASP   8  22.407 -14.337 -13.452
   45    HB2  ASP   8           HB2      ASP   8  21.795 -17.070 -13.851
   46    HB3  ASP   8           HB1      ASP   8  22.465 -16.934 -12.226
   47    H    ASN   9           HN       ASN   9  25.338 -14.862 -14.188
   48    HA   ASN   9           HA       ASN   9  26.702 -15.840 -11.928
   49    HB2  ASN   9           HB2      ASN   9  27.838 -15.573 -14.055
   50    HB3  ASN   9           HB1      ASN   9  27.565 -13.832 -14.019
   51   HD21  ASN   9          HD21      ASN   9  28.589 -15.931 -11.293
   52   HD22  ASN   9          HD22      ASN   9  30.075 -15.147 -11.051
   53    H    TYR  10           HN       TYR  10  26.571 -12.418 -12.935
   54    HA   TYR  10           HA       TYR  10  27.216 -11.484 -10.322
   55    HB2  TYR  10           HB2      TYR  10  26.504  -9.234 -11.369
   56    HB3  TYR  10           HB1      TYR  10  27.894 -10.064 -12.066
   57    HD1  TYR  10           HD2      TYR  10  24.319  -9.247 -12.521
   58    HD2  TYR  10           HD1      TYR  10  27.789 -11.088 -14.260
   59    HE1  TYR  10           HE2      TYR  10  23.173  -9.331 -14.718
   60    HE2  TYR  10           HE1      TYR  10  26.643 -11.170 -16.458
   61    HH   TYR  10           HH       TYR  10  24.839 -10.571 -17.613
   62    H    TYR  11           HN       TYR  11  24.982 -13.189 -10.196
   63    HA   TYR  11           HA       TYR  11  23.186 -11.581  -8.669
   64    HB2  TYR  11           HB2      TYR  11  22.585 -11.349 -11.266
   65    HB3  TYR  11           HB1      TYR  11  21.743 -12.863 -10.935
   66    HD1  TYR  11           HD1      TYR  11  22.100  -9.331  -9.795
   67    HD2  TYR  11           HD2      TYR  11  19.700 -12.894  -9.727
   68    HE1  TYR  11           HE1      TYR  11  20.259  -8.072  -8.709
   69    HE2  TYR  11           HE2      TYR  11  17.861 -11.635  -8.641
   70    HH   TYR  11           HH       TYR  11  17.160  -9.086  -8.590
   71    H    GLY  12           HN       GLY  12  24.754 -13.860  -8.179
   72    HA2  GLY  12           HA2      GLY  12  23.314 -15.479  -6.612
   73    HA3  GLY  12           HA1      GLY  12  22.988 -16.177  -8.196
   74    H    ALA  13           HN       ALA  13  26.030 -14.654  -7.363
   75    HA   ALA  13           HA       ALA  13  27.327 -17.310  -7.254
   76    HB1  ALA  13           HB1      ALA  13  29.229 -16.301  -8.528
   77    HB2  ALA  13           HB2      ALA  13  28.234 -14.870  -8.796
   78    HB3  ALA  13           HB3      ALA  13  27.741 -16.424  -9.466
   79    H    ASP  14           HN       ASP  14  27.208 -13.985  -6.202
   80    HA   ASP  14           HA       ASP  14  29.609 -14.200  -4.584
   81    HB2  ASP  14           HB2      ASP  14  28.943 -11.925  -3.802
   82    HB3  ASP  14           HB1      ASP  14  29.092 -12.042  -5.554
   83    H    ASN  15           HN       ASN  15  26.110 -14.255  -4.139
   84    HA   ASN  15           HA       ASN  15  25.915 -14.084  -1.382
   85    HB2  ASN  15           HB2      ASN  15  23.842 -14.153  -2.373
   86    HB3  ASN  15           HB1      ASN  15  24.311 -15.412  -3.515
   87   HD21  ASN  15          HD21      ASN  15  23.135 -17.276  -3.077
   88   HD22  ASN  15          HD22      ASN  15  22.784 -17.863  -1.523
   89    H    GLN  16           HN       GLN  16  26.879 -16.814  -3.381
   90    HA   GLN  16           HA       GLN  16  27.103 -18.533  -1.012
   91    HB2  GLN  16           HB2      GLN  16  27.514 -20.341  -2.605
   92    HB3  GLN  16           HB1      GLN  16  26.049 -19.463  -3.049
   93    HG2  GLN  16           HG2      GLN  16  27.507 -18.066  -4.602
   94    HG3  GLN  16           HG1      GLN  16  28.790 -19.238  -4.308
   95   HE21  GLN  16          HE21      GLN  16  26.574 -21.400  -4.072
   96   HE22  GLN  16          HE22      GLN  16  26.194 -21.751  -5.688
   97    H    SER  17           HN       SER  17  28.924 -16.212  -2.288
   98    HA   SER  17           HA       SER  17  31.474 -17.678  -2.108
   99    HB2  SER  17           HB2      SER  17  30.859 -16.123  -4.089
  100    HB3  SER  17           HB1      SER  17  31.190 -14.810  -2.963
  101    HG   SER  17           HG       SER  17  32.970 -15.827  -4.349
  102    H    GLU  18           HN       GLU  18  29.852 -14.742  -0.908
  103    HA   GLU  18           HA       GLU  18  31.685 -13.619   0.734
  104    HB2  GLU  18           HB2      GLU  18  28.763 -14.151   1.263
  105    HB3  GLU  18           HB1      GLU  18  29.759 -13.177   2.346
  106    HG2  GLU  18           HG2      GLU  18  30.358 -11.707   0.438
  107    HG3  GLU  18           HG1      GLU  18  29.294 -12.653  -0.602
  108    H    CYS  19           HN       CYS  19  29.542 -16.265   1.800
  109    HA   CYS  19           HA       CYS  19  30.706 -16.704   4.294
  110    HB2  CYS  19           HB2      CYS  19  29.348 -18.633   2.402
  111    HB3  CYS  19           HB1      CYS  19  29.782 -19.034   4.064
  112    HG   CYS  19           HG       CYS  19  27.435 -17.275   3.220
  113    H    GLU  20           HN       GLU  20  31.764 -17.663   1.109
  114    HA   GLU  20           HA       GLU  20  33.989 -19.205   2.300
  115    HB2  GLU  20           HB2      GLU  20  33.240 -19.273  -0.611
  116    HB3  GLU  20           HB1      GLU  20  34.094 -20.486   0.343
  117    HG2  GLU  20           HG2      GLU  20  31.165 -19.743   0.581
  118    HG3  GLU  20           HG1      GLU  20  31.815 -21.249  -0.062
  119    H    TYR  21           HN       TYR  21  33.566 -16.176   1.671
  120    HA   TYR  21           HA       TYR  21  35.606 -15.612  -0.290
  121    HB2  TYR  21           HB2      TYR  21  33.841 -14.013  -0.082
  122    HB3  TYR  21           HB1      TYR  21  34.087 -13.874   1.659
  123    HD1  TYR  21           HD2      TYR  21  36.082 -12.729   2.566
  124    HD2  TYR  21           HD1      TYR  21  35.304 -12.900  -1.655
  125    HE1  TYR  21           HE2      TYR  21  37.739 -10.923   2.187
  126    HE2  TYR  21           HE1      TYR  21  36.961 -11.094  -2.034
  127    HH   TYR  21           HH       TYR  21  38.989 -10.182  -0.840
  128    H    THR  22           HN       THR  22  35.339 -15.149   3.233
  129    HA   THR  22           HA       THR  22  37.944 -14.240   3.685
  130    HB   THR  22           HB       THR  22  37.583 -15.183   6.015
  131    HG1  THR  22           HG1      THR  22  35.583 -16.396   4.612
  132   HG21  THR  22          HG21      THR  22  35.419 -13.472   4.760
  133   HG22  THR  22          HG22      THR  22  36.933 -12.898   5.457
  134   HG23  THR  22          HG23      THR  22  35.702 -13.618   6.495
  135    H    ASP  23           HN       ASP  23  36.858 -17.289   2.676
  136    HA   ASP  23           HA       ASP  23  39.315 -18.626   3.604
  137    HB2  ASP  23           HB2      ASP  23  36.576 -19.482   3.187
  138    HB3  ASP  23           HB1      ASP  23  37.708 -20.503   2.302
  139    H    TRP  24           HN       TRP  24  37.302 -18.310   0.670
  140    HA   TRP  24           HA       TRP  24  38.763 -19.565  -1.224
  141    HB2  TRP  24           HB2      TRP  24  37.026 -18.546  -2.270
  142    HB3  TRP  24           HB1      TRP  24  37.108 -17.122  -1.233
  143    HD1  TRP  24           HD1      TRP  24  38.669 -18.636  -4.379
  144    HE1  TRP  24           HE1      TRP  24  39.869 -16.767  -5.689
  145    HE3  TRP  24           HE3      TRP  24  38.222 -14.793  -1.046
  146    HZ2  TRP  24           HZ2      TRP  24  40.548 -14.008  -5.366
  147    HZ3  TRP  24           HZ3      TRP  24  39.153 -12.558  -1.571
  148    HH2  TRP  24           HH2      TRP  24  40.314 -12.160  -3.725
  149    H    LYS  25           HN       LYS  25  39.535 -16.393   0.158
  150    HA   LYS  25           HA       LYS  25  41.563 -15.517  -1.440
  151    HB2  LYS  25           HB2      LYS  25  40.648 -14.549   0.794
  152    HB3  LYS  25           HB1      LYS  25  41.945 -15.487   1.538
  153    HG2  LYS  25           HG2      LYS  25  43.594 -14.371   0.084
  154    HG3  LYS  25           HG1      LYS  25  42.302 -13.433  -0.663
  155    HD2  LYS  25           HD2      LYS  25  41.955 -12.137   1.236
  156    HD3  LYS  25           HD1      LYS  25  42.596 -13.372   2.321
  157    HE2  LYS  25           HE2      LYS  25  44.360 -11.992   0.299
  158    HE3  LYS  25           HE1      LYS  25  44.070 -11.295   1.893
  159    HZ1  LYS  25           HZ1      LYS  25  45.956 -13.154   1.294
  160    HZ2  LYS  25           HZ2      LYS  25  44.717 -14.086   1.991
  161    HZ3  LYS  25           HZ3      LYS  25  45.393 -12.786   2.851
  162    H    SER  26           HN       SER  26  41.718 -18.085   0.966
  163    HA   SER  26           HA       SER  26  44.486 -18.684   0.105
  164    HB2  SER  26           HB2      SER  26  43.025 -19.116   2.693
  165    HB3  SER  26           HB1      SER  26  44.428 -20.099   2.282
  166    HG   SER  26           HG       SER  26  45.315 -18.383   3.247
  167    H    SER  27           HN       SER  27  41.290 -20.054   0.687
  168    HA   SER  27           HA       SER  27  42.155 -22.677  -0.271
  169    HB2  SER  27           HB2      SER  27  40.666 -22.758   1.600
  170    HB3  SER  27           HB1      SER  27  39.543 -21.638   0.836
  171    HG   SER  27           HG       SER  27  38.656 -23.316  -0.040
  172    H    GLY  28           HN       GLY  28  41.848 -20.085  -1.912
  173    HA2  GLY  28           HA2      GLY  28  39.736 -20.712  -3.790
  174    HA3  GLY  28           HA1      GLY  28  40.905 -19.403  -3.928
  175    H    ALA  29           HN       ALA  29  42.742 -21.990  -3.242
  176    HA   ALA  29           HA       ALA  29  43.445 -22.383  -6.054
  177    HB1  ALA  29           HB1      ALA  29  44.909 -23.713  -3.814
  178    HB2  ALA  29           HB2      ALA  29  45.063 -21.966  -4.004
  179    HB3  ALA  29           HB3      ALA  29  45.533 -23.041  -5.320
  180    H    LEU  30           HN       LEU  30  41.479 -23.844  -3.777
  181    HA   LEU  30           HA       LEU  30  41.555 -26.397  -5.264
  182    HB2  LEU  30           HB2      LEU  30  41.200 -27.628  -3.201
  183    HB3  LEU  30           HB1      LEU  30  42.657 -26.645  -3.048
  184    HG   LEU  30           HG       LEU  30  40.662 -24.927  -2.192
  185   HD11  LEU  30          HD11      LEU  30  39.252 -26.138  -0.670
  186   HD12  LEU  30          HD12      LEU  30  40.137 -27.637  -0.946
  187   HD13  LEU  30          HD13      LEU  30  39.133 -26.959  -2.226
  188   HD21  LEU  30          HD21      LEU  30  42.876 -25.231  -1.167
  189   HD22  LEU  30          HD22      LEU  30  42.396 -26.819  -0.569
  190   HD23  LEU  30          HD23      LEU  30  41.616 -25.368   0.060
  191    H    ILE  31           HN       ILE  31  39.727 -23.807  -3.991
  192    HA   ILE  31           HA       ILE  31  37.217 -25.210  -3.840
  193    HB   ILE  31           HB       ILE  31  38.071 -22.351  -3.565
  194   HG12  ILE  31          HG12      ILE  31  36.335 -24.113  -1.818
  195   HG13  ILE  31          HG11      ILE  31  38.095 -24.084  -1.696
  196   HG21  ILE  31          HG21      ILE  31  35.295 -23.399  -4.113
  197   HG22  ILE  31          HG22      ILE  31  36.101 -21.997  -4.818
  198   HG23  ILE  31          HG23      ILE  31  35.543 -21.946  -3.146
  199   HD11  ILE  31          HD11      ILE  31  38.124 -21.812  -1.025
  200   HD12  ILE  31          HD12      ILE  31  36.784 -22.517  -0.122
  201   HD13  ILE  31          HD13      ILE  31  36.465 -21.547  -1.560
  202    HA   PRO  32           HA       PRO  32  36.728 -22.681  -8.066
  203    HB2  PRO  32           HB2      PRO  32  39.305 -23.632  -9.221
  204    HB3  PRO  32           HB1      PRO  32  38.478 -22.076  -9.430
  205    HG2  PRO  32           HG2      PRO  32  40.640 -22.299  -7.902
  206    HG3  PRO  32           HG1      PRO  32  39.302 -21.222  -7.463
  207    HD2  PRO  32           HD2      PRO  32  40.039 -23.882  -6.312
  208    HD3  PRO  32           HD1      PRO  32  39.344 -22.458  -5.505
  209    H    ALA  33           HN       ALA  33  38.049 -25.774  -7.287
  210    HA   ALA  33           HA       ALA  33  37.370 -27.163  -9.668
  211    HB1  ALA  33           HB1      ALA  33  37.226 -28.906  -7.409
  212    HB2  ALA  33           HB2      ALA  33  38.564 -27.784  -7.160
  213    HB3  ALA  33           HB3      ALA  33  38.508 -28.780  -8.615
  214    H    ILE  34           HN       ILE  34  35.818 -27.310  -6.455
  215    HA   ILE  34           HA       ILE  34  33.455 -28.553  -7.390
  216    HB   ILE  34           HB       ILE  34  33.709 -26.796  -4.942
  217   HG12  ILE  34          HG12      ILE  34  34.721 -29.564  -5.540
  218   HG13  ILE  34          HG11      ILE  34  35.506 -28.263  -4.646
  219   HG21  ILE  34          HG21      ILE  34  31.865 -28.011  -4.106
  220   HG22  ILE  34          HG22      ILE  34  32.089 -29.322  -5.263
  221   HG23  ILE  34          HG23      ILE  34  31.446 -27.771  -5.801
  222   HD11  ILE  34          HD11      ILE  34  33.550 -28.554  -2.953
  223   HD12  ILE  34          HD12      ILE  34  34.849 -29.748  -2.946
  224   HD13  ILE  34          HD13      ILE  34  33.315 -30.118  -3.736
  225    H    TYR  35           HN       TYR  35  34.262 -25.163  -6.694
  226    HA   TYR  35           HA       TYR  35  31.884 -23.884  -7.045
  227    HB2  TYR  35           HB2      TYR  35  34.610 -23.156  -7.180
  228    HB3  TYR  35           HB1      TYR  35  33.852 -22.508  -8.634
  229    HD1  TYR  35           HD2      TYR  35  33.014 -22.926  -4.995
  230    HD2  TYR  35           HD1      TYR  35  32.921 -20.376  -8.452
  231    HE1  TYR  35           HE2      TYR  35  31.968 -21.128  -3.644
  232    HE2  TYR  35           HE1      TYR  35  31.877 -18.581  -7.102
  233    HH   TYR  35           HH       TYR  35  31.927 -18.419  -3.908
  234    H    MET  36           HN       MET  36  34.092 -24.844  -9.675
  235    HA   MET  36           HA       MET  36  32.651 -24.000 -11.860
  236    HB2  MET  36           HB2      MET  36  34.584 -26.176 -11.345
  237    HB3  MET  36           HB1      MET  36  33.581 -26.374 -12.782
  238    HG2  MET  36           HG2      MET  36  35.758 -25.105 -13.141
  239    HG3  MET  36           HG1      MET  36  34.298 -24.275 -13.683
  240    HE1  MET  36           HE1      MET  36  35.117 -21.844 -13.659
  241    HE2  MET  36           HE2      MET  36  34.558 -21.002 -12.217
  242    HE3  MET  36           HE3      MET  36  33.506 -22.173 -13.006
  243    H    LEU  37           HN       LEU  37  32.480 -27.323 -10.569
  244    HA   LEU  37           HA       LEU  37  30.275 -28.168 -12.020
  245    HB2  LEU  37           HB2      LEU  37  31.753 -29.573 -10.519
  246    HB3  LEU  37           HB1      LEU  37  30.819 -28.958  -9.154
  247    HG   LEU  37           HG       LEU  37  28.838 -29.735 -10.901
  248   HD11  LEU  37          HD11      LEU  37  30.670 -30.766 -12.321
  249   HD12  LEU  37          HD12      LEU  37  29.417 -31.891 -11.801
  250   HD13  LEU  37          HD13      LEU  37  30.981 -31.876 -10.986
  251   HD21  LEU  37          HD21      LEU  37  28.619 -31.705  -9.373
  252   HD22  LEU  37          HD22      LEU  37  28.873 -30.193  -8.503
  253   HD23  LEU  37          HD23      LEU  37  30.208 -31.327  -8.710
  254    H    VAL  38           HN       VAL  38  30.385 -26.439  -8.925
  255    HA   VAL  38           HA       VAL  38  27.502 -26.425  -8.671
  256    HB   VAL  38           HB       VAL  38  29.679 -24.996  -7.130
  257   HG11  VAL  38          HG11      VAL  38  27.840 -23.639  -6.705
  258   HG12  VAL  38          HG12      VAL  38  27.625 -24.874  -5.464
  259   HG13  VAL  38          HG13      VAL  38  26.686 -24.948  -6.956
  260   HG21  VAL  38          HG21      VAL  38  29.433 -27.557  -7.034
  261   HG22  VAL  38          HG22      VAL  38  27.885 -27.262  -6.242
  262   HG23  VAL  38          HG23      VAL  38  29.380 -26.699  -5.494
  263    H    PHE  39           HN       PHE  39  29.581 -24.768 -10.629
  264    HA   PHE  39           HA       PHE  39  28.000 -22.276 -10.557
  265    HB2  PHE  39           HB2      PHE  39  30.461 -22.041 -10.377
  266    HB3  PHE  39           HB1      PHE  39  30.631 -22.831 -11.944
  267    HD1  PHE  39           HD1      PHE  39  28.884 -19.959 -10.291
  268    HD2  PHE  39           HD2      PHE  39  30.579 -21.548 -13.904
  269    HE1  PHE  39           HE1      PHE  39  28.504 -17.786 -11.424
  270    HE2  PHE  39           HE2      PHE  39  30.199 -19.375 -15.038
  271    HZ   PHE  39           HZ       PHE  39  29.161 -17.494 -13.797
  272    H    LEU  40           HN       LEU  40  28.980 -24.968 -12.594
  273    HA   LEU  40           HA       LEU  40  27.515 -23.854 -14.871
  274    HB2  LEU  40           HB2      LEU  40  28.406 -25.822 -16.100
  275    HB3  LEU  40           HB1      LEU  40  29.676 -24.835 -15.379
  276    HG   LEU  40           HG       LEU  40  29.123 -26.610 -13.349
  277   HD11  LEU  40          HD11      LEU  40  28.826 -28.789 -14.232
  278   HD12  LEU  40          HD12      LEU  40  29.166 -28.258 -15.879
  279   HD13  LEU  40          HD13      LEU  40  27.649 -27.805 -15.102
  280   HD21  LEU  40          HD21      LEU  40  31.228 -27.741 -14.121
  281   HD22  LEU  40          HD22      LEU  40  31.355 -25.982 -14.083
  282   HD23  LEU  40          HD23      LEU  40  31.122 -26.817 -15.619
  283    H    LEU  41           HN       LEU  41  26.784 -25.605 -12.175
  284    HA   LEU  41           HA       LEU  41  24.532 -26.955 -13.535
  285    HB2  LEU  41           HB2      LEU  41  24.906 -28.909 -12.437
  286    HB3  LEU  41           HB1      LEU  41  26.543 -28.291 -12.304
  287    HG   LEU  41           HG       LEU  41  25.786 -27.208 -10.084
  288   HD11  LEU  41          HD11      LEU  41  23.860 -29.240  -9.472
  289   HD12  LEU  41          HD12      LEU  41  23.299 -28.380 -10.904
  290   HD13  LEU  41          HD13      LEU  41  23.647 -27.492  -9.422
  291   HD21  LEU  41          HD21      LEU  41  25.669 -29.807  -9.163
  292   HD22  LEU  41          HD22      LEU  41  27.149 -28.915  -9.503
  293   HD23  LEU  41          HD23      LEU  41  26.467 -29.990 -10.725
  294    H    GLY  42           HN       GLY  42  25.679 -25.078 -10.822
  295    HA2  GLY  42           HA2      GLY  42  22.976 -24.935  -9.679
  296    HA3  GLY  42           HA1      GLY  42  24.453 -24.352  -8.920
  297    H    THR  43           HN       THR  43  24.732 -23.365 -12.008
  298    HA   THR  43           HA       THR  43  23.151 -20.900 -11.645
  299    HB   THR  43           HB       THR  43  25.815 -20.542 -12.865
  300    HG1  THR  43           HG1      THR  43  26.767 -20.475 -10.759
  301   HG21  THR  43          HG21      THR  43  25.669 -18.433 -11.810
  302   HG22  THR  43          HG22      THR  43  24.527 -19.022 -10.601
  303   HG23  THR  43          HG23      THR  43  24.007 -18.798 -12.272
  304    H    THR  44           HN       THR  44  23.050 -23.404 -13.352
  305    HA   THR  44           HA       THR  44  22.971 -22.045 -15.981
  306    HB   THR  44           HB       THR  44  23.773 -24.875 -15.300
  307    HG1  THR  44           HG1      THR  44  25.668 -24.249 -16.113
  308   HG21  THR  44          HG21      THR  44  24.004 -24.806 -17.969
  309   HG22  THR  44          HG22      THR  44  22.637 -23.706 -17.792
  310   HG23  THR  44          HG23      THR  44  22.529 -25.353 -17.172
  311    H    GLY  45           HN       GLY  45  21.528 -24.441 -13.830
  312    HA2  GLY  45           HA2      GLY  45  18.975 -24.116 -15.285
  313    HA3  GLY  45           HA1      GLY  45  19.540 -25.713 -14.802
  314    H    ASN  46           HN       ASN  46  20.302 -23.119 -12.690
  315    HA   ASN  46           HA       ASN  46  18.063 -23.845 -10.897
  316    HB2  ASN  46           HB2      ASN  46  20.987 -23.480 -10.244
  317    HB3  ASN  46           HB1      ASN  46  19.723 -23.433  -9.017
  318   HD21  ASN  46          HD21      ASN  46  21.167 -25.552 -11.519
  319   HD22  ASN  46          HD22      ASN  46  20.659 -27.003 -10.801
  320    H    GLY  47           HN       GLY  47  20.560 -21.417 -11.629
  321    HA2  GLY  47           HA2      GLY  47  19.225 -19.341 -10.142
  322    HA3  GLY  47           HA1      GLY  47  20.617 -19.138 -11.203
  323    H    LEU  48           HN       LEU  48  19.711 -20.044 -13.602
  324    HA   LEU  48           HA       LEU  48  18.272 -17.866 -14.626
  325    HB2  LEU  48           HB2      LEU  48  19.745 -19.347 -15.975
  326    HB3  LEU  48           HB1      LEU  48  18.555 -20.636 -15.823
  327    HG   LEU  48           HG       LEU  48  16.869 -19.191 -16.942
  328   HD11  LEU  48          HD11      LEU  48  17.412 -16.967 -16.615
  329   HD12  LEU  48          HD12      LEU  48  18.099 -17.200 -18.222
  330   HD13  LEU  48          HD13      LEU  48  19.143 -17.251 -16.802
  331   HD21  LEU  48          HD21      LEU  48  17.995 -20.684 -18.401
  332   HD22  LEU  48          HD22      LEU  48  19.493 -19.755 -18.327
  333   HD23  LEU  48          HD23      LEU  48  18.102 -19.118 -19.204
  334    H    VAL  49           HN       VAL  49  17.215 -21.114 -13.683
  335    HA   VAL  49           HA       VAL  49  14.533 -20.852 -14.548
  336    HB   VAL  49           HB       VAL  49  15.913 -22.640 -12.559
  337   HG11  VAL  49          HG11      VAL  49  13.782 -22.507 -11.572
  338   HG12  VAL  49          HG12      VAL  49  13.627 -23.886 -12.659
  339   HG13  VAL  49          HG13      VAL  49  12.972 -22.317 -13.126
  340   HG21  VAL  49          HG21      VAL  49  14.353 -23.630 -14.886
  341   HG22  VAL  49          HG22      VAL  49  15.916 -24.166 -14.271
  342   HG23  VAL  49          HG23      VAL  49  15.811 -22.716 -15.269
  343    H    LEU  50           HN       LEU  50  15.801 -20.816 -11.208
  344    HA   LEU  50           HA       LEU  50  13.509 -19.931  -9.929
  345    HB2  LEU  50           HB2      LEU  50  16.435 -19.653  -9.331
  346    HB3  LEU  50           HB1      LEU  50  15.251 -18.839  -8.306
  347    HG   LEU  50           HG       LEU  50  14.816 -21.724  -8.989
  348   HD11  LEU  50          HD11      LEU  50  16.965 -22.083  -8.217
  349   HD12  LEU  50          HD12      LEU  50  16.112 -22.025  -6.674
  350   HD13  LEU  50          HD13      LEU  50  16.979 -20.603  -7.256
  351   HD21  LEU  50          HD21      LEU  50  13.339 -19.995  -7.590
  352   HD22  LEU  50          HD22      LEU  50  14.438 -20.474  -6.297
  353   HD23  LEU  50          HD23      LEU  50  13.456 -21.689  -7.115
  354    H    TRP  51           HN       TRP  51  15.736 -18.159 -11.916
  355    HA   TRP  51           HA       TRP  51  14.800 -15.557 -11.019
  356    HB2  TRP  51           HB2      TRP  51  17.111 -15.705 -11.670
  357    HB3  TRP  51           HB1      TRP  51  16.682 -16.416 -13.226
  358    HD1  TRP  51           HD1      TRP  51  16.755 -13.117 -11.344
  359    HE1  TRP  51           HE1      TRP  51  16.326 -11.192 -13.005
  360    HE3  TRP  51           HE3      TRP  51  15.502 -15.800 -15.504
  361    HZ2  TRP  51           HZ2      TRP  51  15.556 -10.836 -15.736
  362    HZ3  TRP  51           HZ3      TRP  51  14.927 -14.644 -17.620
  363    HH2  TRP  51           HH2      TRP  51  14.951 -12.168 -17.740
  364    H    THR  52           HN       THR  52  14.608 -17.512 -13.991
  365    HA   THR  52           HA       THR  52  12.957 -15.709 -15.422
  366    HB   THR  52           HB       THR  52  13.600 -18.631 -15.688
  367    HG1  THR  52           HG1      THR  52  14.896 -17.863 -17.147
  368   HG21  THR  52          HG21      THR  52  11.435 -17.063 -17.071
  369   HG22  THR  52          HG22      THR  52  11.371 -18.701 -16.421
  370   HG23  THR  52          HG23      THR  52  12.262 -18.375 -17.908
  371    H    VAL  53           HN       VAL  53  12.249 -18.440 -13.294
  372    HA   VAL  53           HA       VAL  53   9.471 -18.562 -13.749
  373    HB   VAL  53           HB       VAL  53  11.212 -19.391 -11.434
  374   HG11  VAL  53          HG11      VAL  53   9.165 -18.965 -10.337
  375   HG12  VAL  53          HG12      VAL  53   9.060 -20.674 -10.759
  376   HG13  VAL  53          HG13      VAL  53   8.212 -19.472 -11.731
  377   HG21  VAL  53          HG21      VAL  53  10.901 -21.580 -12.298
  378   HG22  VAL  53          HG22      VAL  53  11.160 -20.580 -13.727
  379   HG23  VAL  53          HG23      VAL  53   9.528 -21.083 -13.287
  380    H    PHE  54           HN       PHE  54  11.380 -16.830 -11.304
  381    HA   PHE  54           HA       PHE  54   9.294 -15.734  -9.816
  382    HB2  PHE  54           HB2      PHE  54  12.097 -15.439  -9.958
  383    HB3  PHE  54           HB1      PHE  54  11.421 -13.818 -10.106
  384    HD1  PHE  54           HD1      PHE  54   9.734 -13.023  -8.387
  385    HD2  PHE  54           HD2      PHE  54  12.059 -16.600  -7.882
  386    HE1  PHE  54           HE1      PHE  54   9.239 -13.001  -5.956
  387    HE2  PHE  54           HE2      PHE  54  11.564 -16.578  -5.451
  388    HZ   PHE  54           HZ       PHE  54  10.155 -14.778  -4.489
  389    H    ARG  55           HN       ARG  55  10.250 -15.072 -13.037
  390    HA   ARG  55           HA       ARG  55   8.750 -12.527 -13.053
  391    HB2  ARG  55           HB2      ARG  55  10.979 -13.635 -14.709
  392    HB3  ARG  55           HB1      ARG  55   9.864 -12.489 -15.452
  393    HG2  ARG  55           HG2      ARG  55  10.558 -10.739 -14.129
  394    HG3  ARG  55           HG1      ARG  55  10.916 -11.782 -12.753
  395    HD2  ARG  55           HD2      ARG  55  12.593 -12.041 -15.221
  396    HD3  ARG  55           HD1      ARG  55  12.873 -10.675 -14.145
  397    HE   ARG  55           HE       ARG  55  13.616 -13.383 -13.644
  398   HH11  ARG  55          HH21      ARG  55  12.390 -10.502 -12.170
  399   HH12  ARG  55          HH22      ARG  55  13.017 -10.873 -10.599
  400   HH21  ARG  55          HH11      ARG  55  14.438 -13.878 -11.586
  401   HH22  ARG  55          HH12      ARG  55  14.177 -12.784 -10.268
  402    H    LYS  56           HN       LYS  56   8.166 -15.694 -13.512
  403    HA   LYS  56           HA       LYS  56   6.239 -15.186 -15.702
  404    HB2  LYS  56           HB2      LYS  56   6.797 -17.130 -16.715
  405    HB3  LYS  56           HB1      LYS  56   8.292 -16.976 -15.798
  406    HG2  LYS  56           HG2      LYS  56   7.155 -18.296 -13.936
  407    HG3  LYS  56           HG1      LYS  56   5.843 -18.616 -15.070
  408    HD2  LYS  56           HD2      LYS  56   8.689 -19.227 -15.850
  409    HD3  LYS  56           HD1      LYS  56   7.773 -20.358 -14.858
  410    HE2  LYS  56           HE2      LYS  56   5.986 -20.406 -16.570
  411    HE3  LYS  56           HE1      LYS  56   6.928 -19.302 -17.573
  412    HZ1  LYS  56           HZ1      LYS  56   7.951 -21.067 -18.395
  413    HZ2  LYS  56           HZ2      LYS  56   7.174 -22.106 -17.298
  414    HZ3  LYS  56           HZ3      LYS  56   8.636 -21.354 -16.870
  415    H    LYS  57           HN       LYS  57   6.791 -16.375 -12.495
  416    HA   LYS  57           HA       LYS  57   3.999 -17.293 -12.285
  417    HB2  LYS  57           HB2      LYS  57   6.000 -18.720 -11.504
  418    HB3  LYS  57           HB1      LYS  57   6.108 -17.588 -10.156
  419    HG2  LYS  57           HG2      LYS  57   3.599 -18.032  -9.799
  420    HG3  LYS  57           HG1      LYS  57   3.812 -19.411 -10.879
  421    HD2  LYS  57           HD2      LYS  57   5.568 -20.309  -9.407
  422    HD3  LYS  57           HD1      LYS  57   5.384 -18.922  -8.331
  423    HE2  LYS  57           HE2      LYS  57   4.137 -21.026  -7.621
  424    HE3  LYS  57           HE1      LYS  57   3.155 -19.566  -7.735
  425    HZ1  LYS  57           HZ1      LYS  57   3.430 -21.348 -10.063
  426    HZ2  LYS  57           HZ2      LYS  57   2.176 -20.268  -9.681
  427    HZ3  LYS  57           HZ3      LYS  57   2.329 -21.732  -8.831
  428    H    GLY  58           HN       GLY  58   6.240 -14.852 -11.205
  429    HA2  GLY  58           HA2      GLY  58   4.537 -13.877  -9.077
  430    HA3  GLY  58           HA1      GLY  58   6.019 -13.125  -9.662
  431    H    HIS  59           HN       HIS  59   5.215 -13.093 -12.440
  432    HA   HIS  59           HA       HIS  59   3.771 -10.627 -12.441
  433    HB2  HIS  59           HB2      HIS  59   5.077 -12.360 -14.477
  434    HB3  HIS  59           HB1      HIS  59   3.833 -11.243 -15.040
  435    HD2  HIS  59           HD2      HIS  59   4.431  -8.511 -13.594
  436    HE1  HIS  59           HE1      HIS  59   8.532  -9.105 -14.400
  437    HE2  HIS  59           HE2      HIS  59   6.784  -7.387 -13.736
  438    H    HIS  60           HN       HIS  60   2.839 -13.871 -12.392
  439    HA   HIS  60           HA       HIS  60   0.059 -13.160 -12.808
  440    HB2  HIS  60           HB2      HIS  60   0.756 -13.578 -15.111
  441    HB3  HIS  60           HB1      HIS  60   1.435 -15.137 -14.641
  442    HD2  HIS  60           HD2      HIS  60  -1.995 -14.342 -13.017
  443    HE1  HIS  60           HE1      HIS  60  -2.721 -17.020 -16.198
  444    HE2  HIS  60           HE2      HIS  60  -3.756 -15.880 -14.179
  445    H    HIS  61           HN       HIS  61  -0.226 -13.847 -10.674
  446    HA   HIS  61           HA       HIS  61   0.694 -16.294  -9.618
  447    HB2  HIS  61           HB2      HIS  61  -1.536 -15.821  -8.153
  448    HB3  HIS  61           HB1      HIS  61   0.000 -14.994  -7.888
  449    HD2  HIS  61           HD2      HIS  61  -3.610 -14.134  -8.924
  450    HE1  HIS  61           HE1      HIS  61  -1.280 -10.701  -9.703
  451    HE2  HIS  61           HE2      HIS  61  -3.650 -11.599  -9.545
  452    H    HIS  62           HN       HIS  62  -2.767 -15.633  -9.987
  453    HA   HIS  62           HA       HIS  62  -3.094 -18.112 -11.528
  454    HB2  HIS  62           HB2      HIS  62  -4.493 -17.523  -8.910
  455    HB3  HIS  62           HB1      HIS  62  -4.930 -18.832 -10.008
  456    HD2  HIS  62           HD2      HIS  62  -2.716 -20.768 -10.389
  457    HE1  HIS  62           HE1      HIS  62  -0.902 -19.747  -6.717
  458    HE2  HIS  62           HE2      HIS  62  -0.942 -21.451  -8.599
  459    H    HIS  63           HN       HIS  63  -5.512 -16.220  -9.778
  460    HA   HIS  63           HA       HIS  63  -6.955 -15.779 -12.269
  461    HB2  HIS  63           HB2      HIS  63  -7.618 -15.149  -9.385
  462    HB3  HIS  63           HB1      HIS  63  -8.685 -14.792 -10.744
  463    HD2  HIS  63           HD2      HIS  63  -8.860 -17.383  -8.287
  464    HE1  HIS  63           HE1      HIS  63  -9.212 -19.634 -11.841
  465    HE2  HIS  63           HE2      HIS  63  -9.547 -19.680  -9.324
  466    H    HIS  64           HN       HIS  64  -4.489 -14.430 -12.147
  467    HA   HIS  64           HA       HIS  64  -3.513 -12.330 -12.216
  468    HB2  HIS  64           HB2      HIS  64  -4.579 -10.890 -13.796
  469    HB3  HIS  64           HB1      HIS  64  -4.954 -12.540 -14.294
  470    HD2  HIS  64           HD2      HIS  64  -6.802  -9.405 -12.823
  471    HE1  HIS  64           HE1      HIS  64  -9.696 -12.376 -13.611
  472    HE2  HIS  64           HE2      HIS  64  -9.353  -9.953 -12.931
  Start of MODEL   38
    1    H1   MET   1           HT1      MET   1  24.730 -24.377 -16.276
    2    H2   MET   1           HT2      MET   1  24.011 -25.914 -16.213
    3    H3   MET   1           HT3      MET   1  23.351 -24.705 -17.207
    4    HA   MET   1           HA       MET   1  26.098 -25.739 -17.583
    5    HB2  MET   1           HB2      MET   1  24.435 -27.588 -17.760
    6    HB3  MET   1           HB1      MET   1  23.561 -26.651 -18.972
    7    HG2  MET   1           HG2      MET   1  25.450 -26.702 -20.475
    8    HG3  MET   1           HG1      MET   1  26.477 -27.425 -19.238
    9    HE1  MET   1           HE1      MET   1  23.369 -29.359 -21.928
   10    HE2  MET   1           HE2      MET   1  24.341 -27.913 -22.188
   11    HE3  MET   1           HE3      MET   1  23.020 -27.878 -21.024
   12    H    GLU   2           HN       GLU   2  23.191 -24.696 -19.384
   13    HA   GLU   2           HA       GLU   2  24.871 -23.129 -21.186
   14    HB2  GLU   2           HB2      GLU   2  21.865 -23.443 -21.239
   15    HB3  GLU   2           HB1      GLU   2  22.914 -22.910 -22.554
   16    HG2  GLU   2           HG2      GLU   2  23.998 -25.359 -21.804
   17    HG3  GLU   2           HG1      GLU   2  22.259 -25.624 -21.688
   18    H    GLU   3           HN       GLU   3  24.646 -20.901 -21.512
   19    HA   GLU   3           HA       GLU   3  24.462 -18.721 -20.801
   20    HB2  GLU   3           HB2      GLU   3  21.845 -19.919 -20.724
   21    HB3  GLU   3           HB1      GLU   3  21.992 -18.728 -19.431
   22    HG2  GLU   3           HG2      GLU   3  22.698 -17.022 -21.006
   23    HG3  GLU   3           HG1      GLU   3  22.749 -18.199 -22.317
   24    H    GLY   4           HN       GLY   4  23.486 -17.451 -18.657
   25    HA2  GLY   4           HA2      GLY   4  24.551 -18.853 -16.286
   26    HA3  GLY   4           HA1      GLY   4  25.115 -17.235 -16.688
   27    H    GLY   5           HN       GLY   5  24.283 -15.960 -15.133
   28    HA2  GLY   5           HA2      GLY   5  21.584 -15.205 -15.129
   29    HA3  GLY   5           HA1      GLY   5  21.820 -16.350 -13.812
   30    H    ASP   6           HN       ASP   6  23.738 -15.854 -12.363
   31    HA   ASP   6           HA       ASP   6  24.830 -14.444 -10.914
   32    HB2  ASP   6           HB2      ASP   6  25.566 -13.472 -13.223
   33    HB3  ASP   6           HB1      ASP   6  24.453 -12.162 -12.827
   34    H    PHE   7           HN       PHE   7  22.394 -14.859 -10.117
   35    HA   PHE   7           HA       PHE   7  21.428 -12.208  -9.267
   36    HB2  PHE   7           HB2      PHE   7  20.059 -13.495 -11.162
   37    HB3  PHE   7           HB1      PHE   7  19.399 -14.335  -9.757
   38    HD1  PHE   7           HD1      PHE   7  19.823 -11.033 -11.380
   39    HD2  PHE   7           HD2      PHE   7  17.982 -13.207  -8.165
   40    HE1  PHE   7           HE1      PHE   7  18.367  -9.084 -10.896
   41    HE2  PHE   7           HE2      PHE   7  16.526 -11.259  -7.681
   42    HZ   PHE   7           HZ       PHE   7  16.718  -9.197  -9.047
   43    H    ASP   8           HN       ASP   8  23.118 -13.846  -7.796
   44    HA   ASP   8           HA       ASP   8  21.343 -14.592  -5.568
   45    HB2  ASP   8           HB2      ASP   8  22.098 -16.725  -5.402
   46    HB3  ASP   8           HB1      ASP   8  22.474 -16.522  -7.112
   47    H    ASN   9           HN       ASN   9  23.634 -12.585  -6.570
   48    HA   ASN   9           HA       ASN   9  25.743 -12.724  -4.736
   49    HB2  ASN   9           HB2      ASN   9  26.321 -10.594  -5.452
   50    HB3  ASN   9           HB1      ASN   9  25.340 -11.159  -6.804
   51   HD21  ASN   9          HD21      ASN   9  22.755 -10.784  -6.038
   52   HD22  ASN   9          HD22      ASN   9  22.461  -9.167  -5.613
   53    H    TYR  10           HN       TYR  10  25.895 -10.440  -3.301
   54    HA   TYR  10           HA       TYR  10  25.435  -9.748  -1.147
   55    HB2  TYR  10           HB2      TYR  10  23.954  -8.300  -2.381
   56    HB3  TYR  10           HB1      TYR  10  22.729  -9.564  -2.479
   57    HD1  TYR  10           HD1      TYR  10  24.767  -7.715   0.074
   58    HD2  TYR  10           HD2      TYR  10  21.025  -9.602  -0.876
   59    HE1  TYR  10           HE1      TYR  10  23.845  -6.988   2.258
   60    HE2  TYR  10           HE2      TYR  10  20.104  -8.874   1.307
   61    HH   TYR  10           HH       TYR  10  20.589  -6.996   2.972
   62    H    TYR  11           HN       TYR  11  25.796 -11.478   0.194
   63    HA   TYR  11           HA       TYR  11  25.223 -13.021   1.801
   64    HB2  TYR  11           HB2      TYR  11  22.983 -11.454   1.620
   65    HB3  TYR  11           HB1      TYR  11  22.329 -13.047   1.246
   66    HD1  TYR  11           HD2      TYR  11  23.893 -14.891   2.821
   67    HD2  TYR  11           HD1      TYR  11  22.519 -10.954   3.856
   68    HE1  TYR  11           HE2      TYR  11  23.984 -15.491   5.225
   69    HE2  TYR  11           HE1      TYR  11  22.610 -11.555   6.260
   70    HH   TYR  11           HH       TYR  11  23.281 -13.085   7.746
   71    H    GLY  12           HN       GLY  12  25.938 -13.789  -0.811
   72    HA2  GLY  12           HA2      GLY  12  25.101 -16.516  -0.800
   73    HA3  GLY  12           HA1      GLY  12  24.340 -15.629  -2.117
   74    H    ALA  13           HN       ALA  13  26.784 -13.837  -2.158
   75    HA   ALA  13           HA       ALA  13  28.415 -15.599  -3.866
   76    HB1  ALA  13           HB1      ALA  13  29.373 -13.258  -4.551
   77    HB2  ALA  13           HB2      ALA  13  27.895 -12.644  -3.808
   78    HB3  ALA  13           HB3      ALA  13  27.800 -13.766  -5.166
   79    H    ASP  14           HN       ASP  14  28.456 -13.685  -0.981
   80    HA   ASP  14           HA       ASP  14  31.377 -13.998  -0.731
   81    HB2  ASP  14           HB2      ASP  14  31.194 -12.363   1.099
   82    HB3  ASP  14           HB1      ASP  14  30.510 -11.725  -0.394
   83    H    ASN  15           HN       ASN  15  28.376 -15.210   0.376
   84    HA   ASN  15           HA       ASN  15  29.068 -16.085   2.963
   85    HB2  ASN  15           HB2      ASN  15  26.801 -16.252   2.615
   86    HB3  ASN  15           HB1      ASN  15  26.990 -16.808   0.953
   87   HD21  ASN  15          HD21      ASN  15  28.039 -18.015   4.201
   88   HD22  ASN  15          HD22      ASN  15  27.538 -19.612   3.919
   89    H    GLN  16           HN       GLN  16  29.612 -17.438  -0.229
   90    HA   GLN  16           HA       GLN  16  30.727 -19.899   0.902
   91    HB2  GLN  16           HB2      GLN  16  30.877 -20.653  -1.417
   92    HB3  GLN  16           HB1      GLN  16  29.258 -20.039  -1.085
   93    HG2  GLN  16           HG2      GLN  16  30.002 -17.816  -2.022
   94    HG3  GLN  16           HG1      GLN  16  31.497 -18.600  -2.528
   95   HE21  GLN  16          HE21      GLN  16  31.301 -18.876  -4.764
   96   HE22  GLN  16          HE22      GLN  16  29.951 -19.558  -5.533
   97    H    SER  17           HN       SER  17  31.906 -17.030   0.939
   98    HA   SER  17           HA       SER  17  34.558 -17.740  -0.173
   99    HB2  SER  17           HB2      SER  17  34.849 -15.595  -0.888
  100    HB3  SER  17           HB1      SER  17  33.089 -15.611  -0.922
  101    HG   SER  17           HG       SER  17  33.186 -14.104   0.524
  102    H    GLU  18           HN       GLU  18  33.025 -15.796   2.402
  103    HA   GLU  18           HA       GLU  18  35.338 -15.554   3.994
  104    HB2  GLU  18           HB2      GLU  18  32.412 -15.454   4.760
  105    HB3  GLU  18           HB1      GLU  18  33.741 -14.973   5.816
  106    HG2  GLU  18           HG2      GLU  18  34.433 -13.255   4.233
  107    HG3  GLU  18           HG1      GLU  18  33.203 -13.778   3.083
  108    H    CYS  19           HN       CYS  19  32.664 -17.886   4.054
  109    HA   CYS  19           HA       CYS  19  33.637 -19.328   6.321
  110    HB2  CYS  19           HB2      CYS  19  31.251 -19.266   5.183
  111    HB3  CYS  19           HB1      CYS  19  31.899 -20.624   4.263
  112    HG   CYS  19           HG       CYS  19  32.526 -21.584   6.809
  113    H    GLU  20           HN       GLU  20  34.103 -19.578   2.845
  114    HA   GLU  20           HA       GLU  20  35.749 -21.993   3.224
  115    HB2  GLU  20           HB2      GLU  20  35.137 -20.856   0.529
  116    HB3  GLU  20           HB1      GLU  20  35.336 -22.538   1.018
  117    HG2  GLU  20           HG2      GLU  20  33.189 -22.246   2.378
  118    HG3  GLU  20           HG1      GLU  20  32.959 -20.736   1.498
  119    H    TYR  21           HN       TYR  21  36.309 -18.908   3.588
  120    HA   TYR  21           HA       TYR  21  38.462 -18.408   1.745
  121    HB2  TYR  21           HB2      TYR  21  37.705 -16.379   2.446
  122    HB3  TYR  21           HB1      TYR  21  37.184 -16.999   4.012
  123    HD1  TYR  21           HD1      TYR  21  40.292 -16.287   2.043
  124    HD2  TYR  21           HD2      TYR  21  38.464 -16.541   5.921
  125    HE1  TYR  21           HE1      TYR  21  42.368 -15.411   3.079
  126    HE2  TYR  21           HE2      TYR  21  40.539 -15.666   6.958
  127    HH   TYR  21           HH       TYR  21  42.976 -15.572   6.392
  128    H    THR  22           HN       THR  22  38.272 -19.171   5.219
  129    HA   THR  22           HA       THR  22  41.045 -19.277   5.692
  130    HB   THR  22           HB       THR  22  40.470 -20.482   7.726
  131    HG1  THR  22           HG1      THR  22  37.786 -20.589   7.184
  132   HG21  THR  22          HG21      THR  22  39.002 -18.863   8.697
  133   HG22  THR  22          HG22      THR  22  38.233 -18.533   7.144
  134   HG23  THR  22          HG23      THR  22  39.895 -18.017   7.432
  135    H    ASP  23           HN       ASP  23  38.856 -21.521   4.208
  136    HA   ASP  23           HA       ASP  23  40.754 -23.736   4.389
  137    HB2  ASP  23           HB2      ASP  23  38.060 -23.731   4.442
  138    HB3  ASP  23           HB1      ASP  23  38.320 -23.970   2.715
  139    H    TRP  24           HN       TRP  24  39.209 -21.718   1.900
  140    HA   TRP  24           HA       TRP  24  40.164 -22.790  -0.416
  141    HB2  TRP  24           HB2      TRP  24  38.936 -20.926  -0.895
  142    HB3  TRP  24           HB1      TRP  24  39.586 -20.019   0.470
  143    HD1  TRP  24           HD1      TRP  24  40.639 -21.231  -3.035
  144    HE1  TRP  24           HE1      TRP  24  42.405 -19.595  -3.959
  145    HE3  TRP  24           HE3      TRP  24  41.226 -18.183   1.020
  146    HZ2  TRP  24           HZ2      TRP  24  43.871 -17.296  -3.092
  147    HZ3  TRP  24           HZ3      TRP  24  42.812 -16.281   0.945
  148    HH2  TRP  24           HH2      TRP  24  44.134 -15.834  -1.105
  149    H    LYS  25           HN       LYS  25  41.933 -20.436   1.601
  150    HA   LYS  25           HA       LYS  25  44.251 -20.130   0.217
  151    HB2  LYS  25           HB2      LYS  25  43.692 -19.162   2.485
  152    HB3  LYS  25           HB1      LYS  25  44.228 -20.690   3.185
  153    HG2  LYS  25           HG2      LYS  25  46.439 -20.410   2.157
  154    HG3  LYS  25           HG1      LYS  25  45.911 -18.904   1.404
  155    HD2  LYS  25           HD2      LYS  25  45.505 -17.932   3.642
  156    HD3  LYS  25           HD1      LYS  25  46.056 -19.432   4.388
  157    HE2  LYS  25           HE2      LYS  25  48.123 -18.514   4.361
  158    HE3  LYS  25           HE1      LYS  25  48.106 -18.813   2.624
  159    HZ1  LYS  25           HZ1      LYS  25  46.657 -16.466   3.192
  160    HZ2  LYS  25           HZ2      LYS  25  48.062 -16.647   2.254
  161    HZ3  LYS  25           HZ3      LYS  25  48.184 -16.360   3.923
  162    H    SER  26           HN       SER  26  43.128 -23.019   1.777
  163    HA   SER  26           HA       SER  26  45.696 -24.370   1.226
  164    HB2  SER  26           HB2      SER  26  44.431 -24.409   3.545
  165    HB3  SER  26           HB1      SER  26  43.480 -25.667   2.758
  166    HG   SER  26           HG       SER  26  45.801 -26.379   2.134
  167    H    SER  27           HN       SER  27  42.188 -24.663   0.775
  168    HA   SER  27           HA       SER  27  42.413 -27.015  -0.873
  169    HB2  SER  27           HB2      SER  27  40.066 -25.129  -0.580
  170    HB3  SER  27           HB1      SER  27  40.027 -26.777  -1.200
  171    HG   SER  27           HG       SER  27  41.242 -26.705   1.197
  172    H    GLY  28           HN       GLY  28  43.303 -23.919  -1.425
  173    HA2  GLY  28           HA2      GLY  28  42.210 -23.182  -3.884
  174    HA3  GLY  28           HA1      GLY  28  43.822 -22.736  -3.331
  175    H    ALA  29           HN       ALA  29  43.923 -25.956  -3.188
  176    HA   ALA  29           HA       ALA  29  45.136 -26.167  -5.858
  177    HB1  ALA  29           HB1      ALA  29  45.778 -27.202  -3.247
  178    HB2  ALA  29           HB2      ALA  29  46.743 -27.237  -4.723
  179    HB3  ALA  29           HB3      ALA  29  45.591 -28.531  -4.392
  180    H    LEU  30           HN       LEU  30  42.189 -26.688  -4.561
  181    HA   LEU  30           HA       LEU  30  41.459 -28.564  -6.640
  182    HB2  LEU  30           HB2      LEU  30  40.349 -30.118  -4.960
  183    HB3  LEU  30           HB1      LEU  30  42.108 -30.210  -5.050
  184    HG   LEU  30           HG       LEU  30  41.250 -28.171  -3.159
  185   HD11  LEU  30          HD11      LEU  30  40.418 -29.833  -1.457
  186   HD12  LEU  30          HD12      LEU  30  40.297 -31.020  -2.756
  187   HD13  LEU  30          HD13      LEU  30  39.304 -29.563  -2.798
  188   HD21  LEU  30          HD21      LEU  30  43.512 -29.290  -3.397
  189   HD22  LEU  30          HD22      LEU  30  42.784 -30.750  -2.725
  190   HD23  LEU  30          HD23      LEU  30  42.870 -29.281  -1.754
  191    H    ILE  31           HN       ILE  31  40.853 -25.808  -5.368
  192    HA   ILE  31           HA       ILE  31  38.093 -26.006  -4.584
  193    HB   ILE  31           HB       ILE  31  40.041 -23.776  -4.991
  194   HG12  ILE  31          HG12      ILE  31  39.443 -25.205  -2.841
  195   HG13  ILE  31          HG11      ILE  31  39.758 -23.477  -2.712
  196   HG21  ILE  31          HG21      ILE  31  38.203 -22.775  -6.094
  197   HG22  ILE  31          HG22      ILE  31  38.048 -22.233  -4.425
  198   HG23  ILE  31          HG23      ILE  31  37.031 -23.543  -5.023
  199   HD11  ILE  31          HD11      ILE  31  37.461 -22.952  -2.535
  200   HD12  ILE  31          HD12      ILE  31  37.640 -24.401  -1.547
  201   HD13  ILE  31          HD13      ILE  31  36.963 -24.521  -3.171
  202    HA   PRO  32           HA       PRO  32  37.658 -24.124  -9.111
  203    HB2  PRO  32           HB2      PRO  32  39.482 -26.031 -10.473
  204    HB3  PRO  32           HB1      PRO  32  39.233 -24.300 -10.768
  205    HG2  PRO  32           HG2      PRO  32  41.437 -25.219  -9.581
  206    HG3  PRO  32           HG1      PRO  32  40.704 -23.669  -9.130
  207    HD2  PRO  32           HD2      PRO  32  40.620 -26.289  -7.681
  208    HD3  PRO  32           HD1      PRO  32  40.695 -24.638  -7.027
  209    H    ALA  33           HN       ALA  33  38.238 -27.461  -8.204
  210    HA   ALA  33           HA       ALA  33  36.626 -28.755 -10.110
  211    HB1  ALA  33           HB1      ALA  33  37.338 -29.496  -7.267
  212    HB2  ALA  33           HB2      ALA  33  38.110 -30.061  -8.749
  213    HB3  ALA  33           HB3      ALA  33  36.465 -30.567  -8.363
  214    H    ILE  34           HN       ILE  34  35.782 -28.102  -6.700
  215    HA   ILE  34           HA       ILE  34  33.053 -28.654  -6.945
  216    HB   ILE  34           HB       ILE  34  34.713 -27.076  -5.021
  217   HG12  ILE  34          HG12      ILE  34  34.212 -29.676  -5.156
  218   HG13  ILE  34          HG11      ILE  34  34.279 -28.857  -3.598
  219   HG21  ILE  34          HG21      ILE  34  32.501 -26.807  -3.701
  220   HG22  ILE  34          HG22      ILE  34  31.705 -27.014  -5.261
  221   HG23  ILE  34          HG23      ILE  34  32.817 -25.668  -5.008
  222   HD11  ILE  34          HD11      ILE  34  31.679 -29.110  -5.110
  223   HD12  ILE  34          HD12      ILE  34  31.927 -28.805  -3.390
  224   HD13  ILE  34          HD13      ILE  34  32.254 -30.403  -4.057
  225    H    TYR  35           HN       TYR  35  34.768 -25.543  -7.169
  226    HA   TYR  35           HA       TYR  35  32.719 -23.769  -7.455
  227    HB2  TYR  35           HB2      TYR  35  35.480 -23.870  -8.246
  228    HB3  TYR  35           HB1      TYR  35  34.529 -23.104  -9.519
  229    HD1  TYR  35           HD2      TYR  35  34.855 -23.109  -5.779
  230    HD2  TYR  35           HD1      TYR  35  34.040 -20.826  -9.326
  231    HE1  TYR  35           HE2      TYR  35  34.698 -21.044  -4.415
  232    HE2  TYR  35           HE1      TYR  35  33.884 -18.762  -7.962
  233    HH   TYR  35           HH       TYR  35  34.502 -17.887  -5.877
  234    H    MET  36           HN       MET  36  34.137 -25.676 -10.119
  235    HA   MET  36           HA       MET  36  32.527 -24.827 -12.195
  236    HB2  MET  36           HB2      MET  36  33.797 -27.489 -11.600
  237    HB3  MET  36           HB1      MET  36  32.839 -27.242 -13.060
  238    HG2  MET  36           HG2      MET  36  35.055 -25.341 -12.304
  239    HG3  MET  36           HG1      MET  36  35.383 -26.812 -13.221
  240    HE1  MET  36           HE1      MET  36  33.954 -23.241 -13.193
  241    HE2  MET  36           HE2      MET  36  34.410 -22.903 -14.860
  242    HE3  MET  36           HE3      MET  36  35.605 -23.556 -13.742
  243    H    LEU  37           HN       LEU  37  31.948 -27.868 -10.416
  244    HA   LEU  37           HA       LEU  37  29.381 -28.340 -11.358
  245    HB2  LEU  37           HB2      LEU  37  30.801 -29.931 -10.027
  246    HB3  LEU  37           HB1      LEU  37  30.366 -29.021  -8.581
  247    HG   LEU  37           HG       LEU  37  27.950 -29.561  -9.991
  248   HD11  LEU  37          HD11      LEU  37  27.971 -32.001 -10.089
  249   HD12  LEU  37          HD12      LEU  37  29.644 -32.035  -9.532
  250   HD13  LEU  37          HD13      LEU  37  29.254 -31.365 -11.117
  251   HD21  LEU  37          HD21      LEU  37  28.250 -29.277  -7.542
  252   HD22  LEU  37          HD22      LEU  37  29.118 -30.811  -7.482
  253   HD23  LEU  37          HD23      LEU  37  27.411 -30.781  -7.923
  254    H    VAL  38           HN       VAL  38  30.457 -26.022  -9.015
  255    HA   VAL  38           HA       VAL  38  27.663 -25.484  -8.212
  256    HB   VAL  38           HB       VAL  38  30.265 -24.623  -6.925
  257   HG11  VAL  38          HG11      VAL  38  28.357 -24.208  -5.060
  258   HG12  VAL  38          HG12      VAL  38  27.411 -23.887  -6.514
  259   HG13  VAL  38          HG13      VAL  38  28.872 -22.954  -6.188
  260   HG21  VAL  38          HG21      VAL  38  29.810 -27.015  -6.644
  261   HG22  VAL  38          HG22      VAL  38  28.159 -26.662  -6.136
  262   HG23  VAL  38          HG23      VAL  38  29.517 -26.175  -5.121
  263    H    PHE  39           HN       PHE  39  29.558 -24.566 -10.604
  264    HA   PHE  39           HA       PHE  39  28.791 -21.711 -10.422
  265    HB2  PHE  39           HB2      PHE  39  31.208 -21.921 -10.354
  266    HB3  PHE  39           HB1      PHE  39  31.188 -22.953 -11.783
  267    HD1  PHE  39           HD2      PHE  39  30.360 -19.531 -10.557
  268    HD2  PHE  39           HD1      PHE  39  31.127 -22.029 -13.967
  269    HE1  PHE  39           HE2      PHE  39  30.427 -17.524 -12.013
  270    HE2  PHE  39           HE1      PHE  39  31.196 -20.021 -15.422
  271    HZ   PHE  39           HZ       PHE  39  30.845 -17.768 -14.445
  272    H    LEU  40           HN       LEU  40  28.778 -24.639 -12.300
  273    HA   LEU  40           HA       LEU  40  27.461 -23.218 -14.532
  274    HB2  LEU  40           HB2      LEU  40  28.057 -25.142 -15.916
  275    HB3  LEU  40           HB1      LEU  40  29.497 -24.491 -15.132
  276    HG   LEU  40           HG       LEU  40  28.558 -26.315 -13.274
  277   HD11  LEU  40          HD11      LEU  40  28.408 -27.652 -15.982
  278   HD12  LEU  40          HD12      LEU  40  26.972 -27.074 -15.138
  279   HD13  LEU  40          HD13      LEU  40  27.976 -28.329 -14.412
  280   HD21  LEU  40          HD21      LEU  40  30.574 -26.743 -15.503
  281   HD22  LEU  40          HD22      LEU  40  30.492 -27.673 -14.008
  282   HD23  LEU  40          HD23      LEU  40  30.902 -25.959 -13.958
  283    H    LEU  41           HN       LEU  41  26.722 -24.885 -11.823
  284    HA   LEU  41           HA       LEU  41  24.194 -25.864 -12.987
  285    HB2  LEU  41           HB2      LEU  41  24.917 -27.956 -12.552
  286    HB3  LEU  41           HB1      LEU  41  26.261 -27.381 -11.580
  287    HG   LEU  41           HG       LEU  41  24.764 -27.127  -9.630
  288   HD11  LEU  41          HD11      LEU  41  22.728 -27.221 -11.632
  289   HD12  LEU  41          HD12      LEU  41  22.519 -27.020  -9.892
  290   HD13  LEU  41          HD13      LEU  41  22.511 -28.633 -10.600
  291   HD21  LEU  41          HD21      LEU  41  23.959 -29.826 -10.326
  292   HD22  LEU  41          HD22      LEU  41  25.151 -29.287  -9.143
  293   HD23  LEU  41          HD23      LEU  41  25.621 -29.513 -10.828
  294    H    GLY  42           HN       GLY  42  25.967 -24.667 -10.193
  295    HA2  GLY  42           HA2      GLY  42  23.467 -24.130  -8.757
  296    HA3  GLY  42           HA1      GLY  42  25.094 -23.977  -8.102
  297    H    THR  43           HN       THR  43  25.420 -22.603 -11.012
  298    HA   THR  43           HA       THR  43  24.337 -19.976 -10.222
  299    HB   THR  43           HB       THR  43  27.091 -20.107 -11.380
  300    HG1  THR  43           HG1      THR  43  27.713 -20.010  -9.049
  301   HG21  THR  43          HG21      THR  43  25.976 -18.264  -9.271
  302   HG22  THR  43          HG22      THR  43  25.643 -18.003 -10.983
  303   HG23  THR  43          HG23      THR  43  27.305 -17.973 -10.394
  304    H    THR  44           HN       THR  44  23.622 -22.026 -12.247
  305    HA   THR  44           HA       THR  44  23.720 -20.248 -14.592
  306    HB   THR  44           HB       THR  44  24.382 -23.194 -14.538
  307    HG1  THR  44           HG1      THR  44  25.990 -21.834 -16.047
  308   HG21  THR  44          HG21      THR  44  23.407 -21.423 -16.760
  309   HG22  THR  44          HG22      THR  44  22.971 -23.093 -16.396
  310   HG23  THR  44          HG23      THR  44  24.542 -22.728 -17.111
  311    H    GLY  45           HN       GLY  45  22.316 -23.267 -13.313
  312    HA2  GLY  45           HA2      GLY  45  19.811 -22.700 -14.735
  313    HA3  GLY  45           HA1      GLY  45  20.233 -24.213 -13.937
  314    H    ASN  46           HN       ASN  46  21.210 -22.069 -11.763
  315    HA   ASN  46           HA       ASN  46  18.819 -22.367 -10.146
  316    HB2  ASN  46           HB2      ASN  46  20.307 -22.355  -8.477
  317    HB3  ASN  46           HB1      ASN  46  21.597 -22.096  -9.650
  318   HD21  ASN  46          HD21      ASN  46  22.642 -20.081  -9.592
  319   HD22  ASN  46          HD22      ASN  46  22.101 -18.751  -8.688
  320    H    GLY  47           HN       GLY  47  20.827 -19.644 -11.282
  321    HA2  GLY  47           HA2      GLY  47  19.040 -17.628 -10.352
  322    HA3  GLY  47           HA1      GLY  47  20.354 -17.398 -11.501
  323    H    LEU  48           HN       LEU  48  19.657 -19.007 -13.583
  324    HA   LEU  48           HA       LEU  48  17.847 -17.484 -15.046
  325    HB2  LEU  48           HB2      LEU  48  19.503 -19.084 -16.014
  326    HB3  LEU  48           HB1      LEU  48  18.485 -20.414 -15.469
  327    HG   LEU  48           HG       LEU  48  16.609 -19.511 -16.838
  328   HD11  LEU  48          HD11      LEU  48  16.878 -17.251 -17.189
  329   HD12  LEU  48          HD12      LEU  48  17.612 -17.841 -18.680
  330   HD13  LEU  48          HD13      LEU  48  18.633 -17.371 -17.322
  331   HD21  LEU  48          HD21      LEU  48  19.158 -20.548 -17.854
  332   HD22  LEU  48          HD22      LEU  48  18.211 -19.711 -19.084
  333   HD23  LEU  48          HD23      LEU  48  17.512 -21.073 -18.208
  334    H    VAL  49           HN       VAL  49  17.304 -20.599 -13.401
  335    HA   VAL  49           HA       VAL  49  14.577 -20.846 -14.059
  336    HB   VAL  49           HB       VAL  49  16.232 -21.942 -11.785
  337   HG11  VAL  49          HG11      VAL  49  14.065 -21.916 -10.845
  338   HG12  VAL  49          HG12      VAL  49  14.187 -23.520 -11.568
  339   HG13  VAL  49          HG13      VAL  49  13.293 -22.245 -12.397
  340   HG21  VAL  49          HG21      VAL  49  16.551 -22.696 -14.207
  341   HG22  VAL  49          HG22      VAL  49  14.913 -23.344 -14.123
  342   HG23  VAL  49          HG23      VAL  49  16.166 -23.975 -13.054
  343    H    LEU  50           HN       LEU  50  15.848 -20.099 -10.811
  344    HA   LEU  50           HA       LEU  50  13.543 -19.165  -9.652
  345    HB2  LEU  50           HB2      LEU  50  16.354 -18.105  -9.266
  346    HB3  LEU  50           HB1      LEU  50  15.006 -17.804  -8.170
  347    HG   LEU  50           HG       LEU  50  16.059 -20.556  -8.903
  348   HD11  LEU  50          HD11      LEU  50  16.835 -18.588  -6.851
  349   HD12  LEU  50          HD12      LEU  50  17.724 -19.980  -7.468
  350   HD13  LEU  50          HD13      LEU  50  16.501 -20.199  -6.217
  351   HD21  LEU  50          HD21      LEU  50  13.890 -20.995  -8.227
  352   HD22  LEU  50          HD22      LEU  50  13.788 -19.539  -7.238
  353   HD23  LEU  50          HD23      LEU  50  14.673 -20.944  -6.648
  354    H    TRP  51           HN       TRP  51  15.436 -17.656 -12.116
  355    HA   TRP  51           HA       TRP  51  14.286 -15.017 -11.704
  356    HB2  TRP  51           HB2      TRP  51  16.554 -15.092 -12.512
  357    HB3  TRP  51           HB1      TRP  51  16.097 -16.151 -13.846
  358    HD1  TRP  51           HD1      TRP  51  15.931 -12.536 -12.684
  359    HE1  TRP  51           HE1      TRP  51  15.182 -11.054 -14.656
  360    HE3  TRP  51           HE3      TRP  51  14.719 -16.142 -16.091
  361    HZ2  TRP  51           HZ2      TRP  51  14.201 -11.356 -17.325
  362    HZ3  TRP  51           HZ3      TRP  51  13.880 -15.518 -18.338
  363    HH2  TRP  51           HH2      TRP  51  13.620 -13.131 -18.957
  364    H    THR  52           HN       THR  52  14.066 -17.634 -14.101
  365    HA   THR  52           HA       THR  52  12.116 -16.318 -15.721
  366    HB   THR  52           HB       THR  52  13.180 -19.117 -15.527
  367    HG1  THR  52           HG1      THR  52  13.049 -18.044 -17.957
  368   HG21  THR  52          HG21      THR  52  10.933 -19.648 -15.976
  369   HG22  THR  52          HG22      THR  52  11.643 -19.513 -17.585
  370   HG23  THR  52          HG23      THR  52  10.683 -18.186 -16.932
  371    H    VAL  53           HN       VAL  53  11.939 -18.811 -13.196
  372    HA   VAL  53           HA       VAL  53   9.185 -19.308 -13.322
  373    HB   VAL  53           HB       VAL  53  11.191 -19.505 -11.083
  374   HG11  VAL  53          HG11      VAL  53   8.214 -19.878 -11.053
  375   HG12  VAL  53          HG12      VAL  53   9.266 -19.208  -9.805
  376   HG13  VAL  53          HG13      VAL  53   9.222 -20.950 -10.081
  377   HG21  VAL  53          HG21      VAL  53  11.096 -21.069 -13.152
  378   HG22  VAL  53          HG22      VAL  53   9.614 -21.697 -12.432
  379   HG23  VAL  53          HG23      VAL  53  11.140 -21.821 -11.557
  380    H    PHE  54           HN       PHE  54  11.013 -16.830 -11.593
  381    HA   PHE  54           HA       PHE  54   8.836 -15.801 -10.090
  382    HB2  PHE  54           HB2      PHE  54  11.590 -14.942 -10.761
  383    HB3  PHE  54           HB1      PHE  54  10.462 -13.655 -10.331
  384    HD1  PHE  54           HD1      PHE  54  10.682 -17.200  -9.145
  385    HD2  PHE  54           HD2      PHE  54  10.953 -13.038  -8.119
  386    HE1  PHE  54           HE1      PHE  54  10.901 -17.805  -6.751
  387    HE2  PHE  54           HE2      PHE  54  11.172 -13.643  -5.724
  388    HZ   PHE  54           HZ       PHE  54  11.146 -16.026  -5.039
  389    H    ARG  55           HN       ARG  55   9.612 -15.634 -13.402
  390    HA   ARG  55           HA       ARG  55   7.877 -13.271 -13.785
  391    HB2  ARG  55           HB2      ARG  55  10.213 -14.370 -15.274
  392    HB3  ARG  55           HB1      ARG  55   8.952 -13.558 -16.202
  393    HG2  ARG  55           HG2      ARG  55   9.345 -11.505 -15.207
  394    HG3  ARG  55           HG1      ARG  55   9.942 -12.225 -13.713
  395    HD2  ARG  55           HD2      ARG  55  11.510 -12.662 -16.220
  396    HD3  ARG  55           HD1      ARG  55  11.610 -11.089 -15.434
  397    HE   ARG  55           HE       ARG  55  12.826 -13.500 -14.521
  398   HH11  ARG  55          HH21      ARG  55  11.194 -10.632 -13.480
  399   HH12  ARG  55          HH22      ARG  55  11.955 -10.597 -11.925
  400   HH21  ARG  55          HH11      ARG  55  13.826 -13.463 -12.483
  401   HH22  ARG  55          HH12      ARG  55  13.446 -12.200 -11.360
  402    H    LYS  56           HN       LYS  56   7.682 -16.550 -13.769
  403    HA   LYS  56           HA       LYS  56   5.712 -16.602 -15.974
  404    HB2  LYS  56           HB2      LYS  56   6.507 -18.609 -16.615
  405    HB3  LYS  56           HB1      LYS  56   7.906 -18.231 -15.618
  406    HG2  LYS  56           HG2      LYS  56   6.714 -19.318 -13.669
  407    HG3  LYS  56           HG1      LYS  56   5.463 -19.842 -14.803
  408    HD2  LYS  56           HD2      LYS  56   7.988 -20.522 -15.936
  409    HD3  LYS  56           HD1      LYS  56   7.986 -21.071 -14.261
  410    HE2  LYS  56           HE2      LYS  56   7.060 -22.828 -15.674
  411    HE3  LYS  56           HE1      LYS  56   5.777 -22.163 -14.663
  412    HZ1  LYS  56           HZ1      LYS  56   5.927 -20.640 -17.002
  413    HZ2  LYS  56           HZ2      LYS  56   4.660 -21.644 -16.481
  414    HZ3  LYS  56           HZ3      LYS  56   5.901 -22.273 -17.457
  415    H    LYS  57           HN       LYS  57   6.304 -17.218 -12.594
  416    HA   LYS  57           HA       LYS  57   3.578 -18.259 -12.238
  417    HB2  LYS  57           HB2      LYS  57   5.372 -19.503 -11.138
  418    HB3  LYS  57           HB1      LYS  57   5.890 -18.045 -10.294
  419    HG2  LYS  57           HG2      LYS  57   3.019 -18.682  -9.996
  420    HG3  LYS  57           HG1      LYS  57   4.105 -19.873  -9.284
  421    HD2  LYS  57           HD2      LYS  57   4.590 -16.953  -8.750
  422    HD3  LYS  57           HD1      LYS  57   3.319 -17.793  -7.868
  423    HE2  LYS  57           HE2      LYS  57   5.764 -17.749  -6.897
  424    HE3  LYS  57           HE1      LYS  57   4.807 -19.225  -6.797
  425    HZ1  LYS  57           HZ1      LYS  57   6.979 -19.741  -7.627
  426    HZ2  LYS  57           HZ2      LYS  57   6.848 -18.572  -8.852
  427    HZ3  LYS  57           HZ3      LYS  57   5.860 -19.952  -8.883
  428    H    GLY  58           HN       GLY  58   5.596 -15.483 -11.583
  429    HA2  GLY  58           HA2      GLY  58   3.585 -14.252  -9.854
  430    HA3  GLY  58           HA1      GLY  58   5.170 -13.594 -10.247
  431    H    HIS  59           HN       HIS  59   4.967 -13.875 -13.087
  432    HA   HIS  59           HA       HIS  59   3.548 -11.467 -13.673
  433    HB2  HIS  59           HB2      HIS  59   5.693 -12.629 -14.787
  434    HB3  HIS  59           HB1      HIS  59   4.449 -13.226 -15.887
  435    HD2  HIS  59           HD2      HIS  59   2.723 -10.198 -15.447
  436    HE1  HIS  59           HE1      HIS  59   6.023  -8.802 -17.680
  437    HE2  HIS  59           HE2      HIS  59   3.673  -8.245 -16.897
  438    H    HIS  60           HN       HIS  60   2.801 -14.834 -13.775
  439    HA   HIS  60           HA       HIS  60   0.649 -14.629 -15.681
  440    HB2  HIS  60           HB2      HIS  60   1.877 -16.744 -15.326
  441    HB3  HIS  60           HB1      HIS  60   1.269 -16.809 -13.673
  442    HD2  HIS  60           HD2      HIS  60  -0.994 -15.915 -16.806
  443    HE1  HIS  60           HE1      HIS  60  -2.448 -19.463 -15.039
  444    HE2  HIS  60           HE2      HIS  60  -2.880 -17.722 -16.836
  445    H    HIS  61           HN       HIS  61   0.409 -12.679 -13.659
  446    HA   HIS  61           HA       HIS  61  -1.341 -13.413 -11.564
  447    HB2  HIS  61           HB2      HIS  61   0.013 -11.176 -12.097
  448    HB3  HIS  61           HB1      HIS  61  -1.547 -10.695 -12.764
  449    HD2  HIS  61           HD2      HIS  61  -0.011 -10.057  -9.562
  450    HE1  HIS  61           HE1      HIS  61  -3.876 -11.304  -8.410
  451    HE2  HIS  61           HE2      HIS  61  -1.761 -10.137  -7.626
  452    H    HIS  62           HN       HIS  62  -2.120 -11.618 -14.555
  453    HA   HIS  62           HA       HIS  62  -4.553 -13.168 -14.907
  454    HB2  HIS  62           HB2      HIS  62  -4.679 -10.801 -13.412
  455    HB3  HIS  62           HB1      HIS  62  -5.269 -10.365 -15.015
  456    HD2  HIS  62           HD2      HIS  62  -6.180 -12.978 -12.170
  457    HE1  HIS  62           HE1      HIS  62  -9.477 -12.592 -14.779
  458    HE2  HIS  62           HE2      HIS  62  -8.662 -13.652 -12.619
  459    H    HIS  63           HN       HIS  63  -3.329  -9.967 -15.915
  460    HA   HIS  63           HA       HIS  63  -3.740 -10.770 -18.717
  461    HB2  HIS  63           HB2      HIS  63  -3.305  -8.050 -17.463
  462    HB3  HIS  63           HB1      HIS  63  -3.509  -8.339 -19.191
  463    HD2  HIS  63           HD2      HIS  63  -6.052 -10.463 -19.018
  464    HE1  HIS  63           HE1      HIS  63  -7.987  -7.366 -16.900
  465    HE2  HIS  63           HE2      HIS  63  -8.342  -9.529 -18.182
  466    H    HIS  64           HN       HIS  64  -1.544 -11.920 -17.421
  467    HA   HIS  64           HA       HIS  64   0.755 -12.130 -17.500
  468    HB2  HIS  64           HB2      HIS  64  -0.069 -12.534 -19.884
  469    HB3  HIS  64           HB1      HIS  64   0.472 -10.893 -20.237
  470    HD2  HIS  64           HD2      HIS  64   3.169 -10.737 -20.835
  471    HE1  HIS  64           HE1      HIS  64   4.338 -14.477 -19.263
  472    HE2  HIS  64           HE2      HIS  64   5.137 -12.427 -20.531
  Start of MODEL   39
    1    H1   MET   1           HT1      MET   1  45.033 -17.669  17.729
    2    H2   MET   1           HT2      MET   1  45.881 -18.525  18.927
    3    H3   MET   1           HT3      MET   1  46.126 -16.854  18.739
    4    HA   MET   1           HA       MET   1  43.750 -18.251  19.809
    5    HB2  MET   1           HB2      MET   1  45.394 -15.940  20.879
    6    HB3  MET   1           HB1      MET   1  44.147 -16.843  21.741
    7    HG2  MET   1           HG2      MET   1  45.752 -18.889  21.013
    8    HG3  MET   1           HG1      MET   1  46.955 -17.604  21.127
    9    HE1  MET   1           HE1      MET   1  47.949 -18.271  24.556
   10    HE2  MET   1           HE2      MET   1  48.223 -17.322  23.098
   11    HE3  MET   1           HE3      MET   1  48.103 -19.076  22.989
   12    H    GLU   2           HN       GLU   2  42.185 -16.443  20.673
   13    HA   GLU   2           HA       GLU   2  41.549 -14.743  18.355
   14    HB2  GLU   2           HB2      GLU   2  39.839 -15.644  20.686
   15    HB3  GLU   2           HB1      GLU   2  39.285 -14.617  19.363
   16    HG2  GLU   2           HG2      GLU   2  40.613 -17.205  18.674
   17    HG3  GLU   2           HG1      GLU   2  38.957 -17.256  19.277
   18    H    GLU   3           HN       GLU   3  43.204 -13.184  18.998
   19    HA   GLU   3           HA       GLU   3  43.264 -11.822  21.442
   20    HB2  GLU   3           HB2      GLU   3  44.297 -11.388  18.726
   21    HB3  GLU   3           HB1      GLU   3  43.999  -9.899  19.625
   22    HG2  GLU   3           HG2      GLU   3  45.396 -10.631  21.446
   23    HG3  GLU   3           HG1      GLU   3  45.544 -12.245  20.754
   24    H    GLY   4           HN       GLY   4  42.841  -9.271  21.354
   25    HA2  GLY   4           HA2      GLY   4  39.948  -9.013  20.902
   26    HA3  GLY   4           HA1      GLY   4  40.930  -7.982  21.940
   27    H    GLY   5           HN       GLY   5  42.681  -6.725  20.714
   28    HA2  GLY   5           HA2      GLY   5  41.416  -5.067  18.786
   29    HA3  GLY   5           HA1      GLY   5  43.116  -5.004  19.245
   30    H    ASP   6           HN       ASP   6  41.267  -5.281  16.644
   31    HA   ASP   6           HA       ASP   6  43.334  -6.578  15.091
   32    HB2  ASP   6           HB2      ASP   6  42.036  -8.523  15.863
   33    HB3  ASP   6           HB1      ASP   6  40.567  -7.801  15.210
   34    H    PHE   7           HN       PHE   7  42.599  -3.989  14.957
   35    HA   PHE   7           HA       PHE   7  40.491  -3.232  13.317
   36    HB2  PHE   7           HB2      PHE   7  42.361  -1.836  14.551
   37    HB3  PHE   7           HB1      PHE   7  43.148  -1.903  12.974
   38    HD1  PHE   7           HD2      PHE   7  39.897  -1.060  14.620
   39    HD2  PHE   7           HD1      PHE   7  42.480  -0.454  11.243
   40    HE1  PHE   7           HE2      PHE   7  38.393   0.728  13.791
   41    HE2  PHE   7           HE1      PHE   7  40.976   1.334  10.413
   42    HZ   PHE   7           HZ       PHE   7  38.932   1.925  11.687
   43    H    ASP   8           HN       ASP   8  40.029  -4.424  11.534
   44    HA   ASP   8           HA       ASP   8  42.033  -4.391   9.374
   45    HB2  ASP   8           HB2      ASP   8  41.691  -6.666  10.703
   46    HB3  ASP   8           HB1      ASP   8  40.286  -6.795   9.646
   47    H    ASN   9           HN       ASN   9  39.104  -3.413  10.372
   48    HA   ASN   9           HA       ASN   9  37.081  -2.915   9.360
   49    HB2  ASN   9           HB2      ASN   9  38.839  -1.338   8.369
   50    HB3  ASN   9           HB1      ASN   9  38.797  -2.370   6.940
   51   HD21  ASN   9          HD21      ASN   9  35.837  -2.934   7.418
   52   HD22  ASN   9          HD22      ASN   9  35.048  -1.527   6.887
   53    H    TYR  10           HN       TYR  10  37.312  -3.145   6.194
   54    HA   TYR  10           HA       TYR  10  36.239  -4.543   4.700
   55    HB2  TYR  10           HB2      TYR  10  38.690  -5.540   5.399
   56    HB3  TYR  10           HB1      TYR  10  37.647  -6.927   5.708
   57    HD1  TYR  10           HD1      TYR  10  35.540  -6.646   3.699
   58    HD2  TYR  10           HD2      TYR  10  39.764  -5.944   3.352
   59    HE1  TYR  10           HE1      TYR  10  35.413  -7.088   1.262
   60    HE2  TYR  10           HE2      TYR  10  39.637  -6.386   0.916
   61    HH   TYR  10           HH       TYR  10  37.265  -7.947  -0.547
   62    H    TYR  11           HN       TYR  11  34.780  -4.181   7.100
   63    HA   TYR  11           HA       TYR  11  33.135  -5.135   8.417
   64    HB2  TYR  11           HB2      TYR  11  32.762  -6.547   5.768
   65    HB3  TYR  11           HB1      TYR  11  31.591  -6.603   7.087
   66    HD1  TYR  11           HD1      TYR  11  33.495  -4.206   4.932
   67    HD2  TYR  11           HD2      TYR  11  30.002  -4.888   7.338
   68    HE1  TYR  11           HE1      TYR  11  32.568  -2.025   4.204
   69    HE2  TYR  11           HE2      TYR  11  29.075  -2.706   6.609
   70    HH   TYR  11           HH       TYR  11  29.585  -1.179   4.279
   71    H    GLY  12           HN       GLY  12  35.599  -6.294   8.960
   72    HA2  GLY  12           HA2      GLY  12  36.622  -8.198   9.782
   73    HA3  GLY  12           HA1      GLY  12  35.017  -8.532  10.428
   74    H    ALA  13           HN       ALA  13  36.743  -8.707   7.306
   75    HA   ALA  13           HA       ALA  13  35.698 -11.442   6.966
   76    HB1  ALA  13           HB1      ALA  13  35.763  -9.433   4.711
   77    HB2  ALA  13           HB2      ALA  13  34.320  -9.739   5.679
   78    HB3  ALA  13           HB3      ALA  13  35.026 -11.036   4.715
   79    H    ASP  14           HN       ASP  14  38.067  -8.979   6.123
   80    HA   ASP  14           HA       ASP  14  39.738 -10.834   4.652
   81    HB2  ASP  14           HB2      ASP  14  39.779  -7.940   5.300
   82    HB3  ASP  14           HB1      ASP  14  41.345  -8.710   5.058
   83    H    ASN  15           HN       ASN  15  39.626  -9.398   7.867
   84    HA   ASN  15           HA       ASN  15  42.141  -9.999   8.841
   85    HB2  ASN  15           HB2      ASN  15  40.960  -8.895  10.447
   86    HB3  ASN  15           HB1      ASN  15  39.446  -9.697  10.033
   87   HD21  ASN  15          HD21      ASN  15  38.776 -11.318  11.455
   88   HD22  ASN  15          HD22      ASN  15  39.781 -12.081  12.591
   89    H    GLN  16           HN       GLN  16  39.492 -12.149   8.121
   90    HA   GLN  16           HA       GLN  16  40.840 -14.409   9.417
   91    HB2  GLN  16           HB2      GLN  16  38.776 -15.659   8.712
   92    HB3  GLN  16           HB1      GLN  16  38.462 -14.301   9.794
   93    HG2  GLN  16           HG2      GLN  16  37.800 -12.895   7.935
   94    HG3  GLN  16           HG1      GLN  16  38.278 -14.133   6.774
   95   HE21  GLN  16          HE21      GLN  16  36.527 -14.741   9.832
   96   HE22  GLN  16          HE22      GLN  16  35.109 -15.304   9.089
   97    H    SER  17           HN       SER  17  40.777 -12.859   6.437
   98    HA   SER  17           HA       SER  17  41.172 -15.254   4.827
   99    HB2  SER  17           HB2      SER  17  41.145 -13.819   2.951
  100    HB3  SER  17           HB1      SER  17  39.965 -13.123   4.057
  101    HG   SER  17           HG       SER  17  41.700 -11.727   3.047
  102    H    GLU  18           HN       GLU  18  43.061 -12.376   5.754
  103    HA   GLU  18           HA       GLU  18  45.451 -12.822   4.541
  104    HB2  GLU  18           HB2      GLU  18  45.123 -12.034   7.446
  105    HB3  GLU  18           HB1      GLU  18  46.534 -11.720   6.435
  106    HG2  GLU  18           HG2      GLU  18  45.205 -10.320   4.945
  107    HG3  GLU  18           HG1      GLU  18  43.742 -10.698   5.850
  108    H    CYS  19           HN       CYS  19  44.018 -14.719   7.079
  109    HA   CYS  19           HA       CYS  19  46.417 -16.131   7.802
  110    HB2  CYS  19           HB2      CYS  19  43.554 -16.224   8.521
  111    HB3  CYS  19           HB1      CYS  19  44.405 -17.764   8.620
  112    HG   CYS  19           HG       CYS  19  46.144 -15.774   9.961
  113    H    GLU  20           HN       GLU  20  43.654 -16.753   5.674
  114    HA   GLU  20           HA       GLU  20  44.871 -19.278   4.800
  115    HB2  GLU  20           HB2      GLU  20  42.784 -19.888   3.975
  116    HB3  GLU  20           HB1      GLU  20  42.342 -18.902   5.369
  117    HG2  GLU  20           HG2      GLU  20  42.364 -16.920   3.678
  118    HG3  GLU  20           HG1      GLU  20  42.259 -18.178   2.449
  119    H    TYR  21           HN       TYR  21  45.138 -16.102   4.034
  120    HA   TYR  21           HA       TYR  21  44.930 -16.134   1.190
  121    HB2  TYR  21           HB2      TYR  21  44.847 -14.043   2.464
  122    HB3  TYR  21           HB1      TYR  21  46.504 -14.299   3.012
  123    HD1  TYR  21           HD1      TYR  21  48.381 -14.325   1.343
  124    HD2  TYR  21           HD2      TYR  21  44.378 -13.184   0.282
  125    HE1  TYR  21           HE1      TYR  21  49.233 -13.260  -0.727
  126    HE2  TYR  21           HE2      TYR  21  45.231 -12.120  -1.789
  127    HH   TYR  21           HH       TYR  21  48.581 -11.577  -2.330
  128    H    THR  22           HN       THR  22  47.474 -16.907   3.474
  129    HA   THR  22           HA       THR  22  49.552 -17.028   1.471
  130    HB   THR  22           HB       THR  22  50.759 -18.231   3.437
  131    HG1  THR  22           HG1      THR  22  48.898 -18.698   4.622
  132   HG21  THR  22          HG21      THR  22  51.164 -16.043   4.528
  133   HG22  THR  22          HG22      THR  22  49.774 -15.374   3.671
  134   HG23  THR  22          HG23      THR  22  51.191 -15.910   2.769
  135    H    ASP  23           HN       ASP  23  47.058 -19.089   2.544
  136    HA   ASP  23           HA       ASP  23  48.439 -21.515   1.626
  137    HB2  ASP  23           HB2      ASP  23  46.389 -20.949   3.568
  138    HB3  ASP  23           HB1      ASP  23  45.795 -22.123   2.394
  139    H    TRP  24           HN       TRP  24  45.303 -19.876   1.129
  140    HA   TRP  24           HA       TRP  24  44.260 -21.316  -0.935
  141    HB2  TRP  24           HB2      TRP  24  42.825 -19.618  -0.473
  142    HB3  TRP  24           HB1      TRP  24  44.126 -18.478  -0.125
  143    HD1  TRP  24           HD1      TRP  24  42.214 -20.022  -3.073
  144    HE1  TRP  24           HE1      TRP  24  42.470 -18.471  -5.117
  145    HE3  TRP  24           HE3      TRP  24  45.535 -16.629  -1.194
  146    HZ2  TRP  24           HZ2      TRP  24  43.895 -16.105  -5.857
  147    HZ3  TRP  24           HZ3      TRP  24  46.325 -14.738  -2.588
  148    HH2  TRP  24           HH2      TRP  24  45.510 -14.471  -4.914
  149    H    LYS  25           HN       LYS  25  46.742 -18.789  -1.192
  150    HA   LYS  25           HA       LYS  25  46.997 -18.592  -3.933
  151    HB2  LYS  25           HB2      LYS  25  48.274 -17.324  -2.113
  152    HB3  LYS  25           HB1      LYS  25  49.387 -18.693  -2.095
  153    HG2  LYS  25           HG2      LYS  25  49.662 -18.395  -4.586
  154    HG3  LYS  25           HG1      LYS  25  48.728 -16.904  -4.450
  155    HD2  LYS  25           HD2      LYS  25  50.399 -16.128  -2.714
  156    HD3  LYS  25           HD1      LYS  25  51.383 -17.531  -3.135
  157    HE2  LYS  25           HE2      LYS  25  52.285 -16.262  -4.769
  158    HE3  LYS  25           HE1      LYS  25  50.735 -16.398  -5.600
  159    HZ1  LYS  25           HZ1      LYS  25  50.946 -14.388  -3.498
  160    HZ2  LYS  25           HZ2      LYS  25  50.107 -14.333  -4.974
  161    HZ3  LYS  25           HZ3      LYS  25  51.786 -14.078  -4.937
  162    H    SER  26           HN       SER  26  48.133 -21.137  -1.791
  163    HA   SER  26           HA       SER  26  49.426 -22.520  -4.038
  164    HB2  SER  26           HB2      SER  26  50.721 -22.406  -1.982
  165    HB3  SER  26           HB1      SER  26  49.391 -23.113  -1.070
  166    HG   SER  26           HG       SER  26  50.085 -24.577  -3.265
  167    H    SER  27           HN       SER  27  46.750 -22.807  -1.769
  168    HA   SER  27           HA       SER  27  45.987 -25.414  -2.851
  169    HB2  SER  27           HB2      SER  27  44.730 -23.699  -0.697
  170    HB3  SER  27           HB1      SER  27  44.184 -25.310  -1.155
  171    HG   SER  27           HG       SER  27  45.976 -24.765   0.610
  172    H    GLY  28           HN       GLY  28  45.840 -22.626  -4.229
  173    HA2  GLY  28           HA2      GLY  28  42.989 -22.385  -4.767
  174    HA3  GLY  28           HA1      GLY  28  44.270 -21.377  -5.437
  175    H    ALA  29           HN       ALA  29  45.534 -24.263  -5.908
  176    HA   ALA  29           HA       ALA  29  44.500 -24.454  -8.644
  177    HB1  ALA  29           HB1      ALA  29  46.477 -25.601  -9.185
  178    HB2  ALA  29           HB2      ALA  29  46.762 -26.085  -7.512
  179    HB3  ALA  29           HB3      ALA  29  47.008 -24.408  -7.999
  180    H    LEU  30           HN       LEU  30  42.688 -25.278  -6.719
  181    HA   LEU  30           HA       LEU  30  42.053 -27.899  -7.610
  182    HB2  LEU  30           HB2      LEU  30  42.292 -29.118  -5.500
  183    HB3  LEU  30           HB1      LEU  30  43.858 -28.515  -6.043
  184    HG   LEU  30           HG       LEU  30  42.849 -26.419  -4.521
  185   HD11  LEU  30          HD11      LEU  30  41.058 -27.897  -3.681
  186   HD12  LEU  30          HD12      LEU  30  42.185 -27.475  -2.391
  187   HD13  LEU  30          HD13      LEU  30  42.271 -29.063  -3.151
  188   HD21  LEU  30          HD21      LEU  30  44.748 -28.685  -3.863
  189   HD22  LEU  30          HD22      LEU  30  44.548 -27.271  -2.830
  190   HD23  LEU  30          HD23      LEU  30  45.159 -27.083  -4.472
  191    H    ILE  31           HN       ILE  31  41.558 -25.238  -5.390
  192    HA   ILE  31           HA       ILE  31  39.009 -26.112  -4.442
  193    HB   ILE  31           HB       ILE  31  40.533 -23.530  -4.295
  194   HG12  ILE  31          HG12      ILE  31  39.291 -25.261  -2.145
  195   HG13  ILE  31          HG11      ILE  31  40.920 -25.530  -2.767
  196   HG21  ILE  31          HG21      ILE  31  37.611 -24.011  -3.737
  197   HG22  ILE  31          HG22      ILE  31  38.365 -22.651  -4.569
  198   HG23  ILE  31          HG23      ILE  31  38.519 -22.809  -2.820
  199   HD11  ILE  31          HD11      ILE  31  40.275 -23.828  -0.686
  200   HD12  ILE  31          HD12      ILE  31  40.407 -22.729  -2.059
  201   HD13  ILE  31          HD13      ILE  31  41.766 -23.767  -1.626
  202    HA   PRO  32           HA       PRO  32  37.546 -22.898  -7.866
  203    HB2  PRO  32           HB2      PRO  32  39.292 -23.876 -10.060
  204    HB3  PRO  32           HB1      PRO  32  38.795 -22.220  -9.665
  205    HG2  PRO  32           HG2      PRO  32  41.272 -23.091  -9.199
  206    HG3  PRO  32           HG1      PRO  32  40.461 -21.947  -8.115
  207    HD2  PRO  32           HD2      PRO  32  40.946 -24.877  -7.740
  208    HD3  PRO  32           HD1      PRO  32  40.956 -23.570  -6.540
  209    H    ALA  33           HN       ALA  33  38.732 -26.162  -8.489
  210    HA   ALA  33           HA       ALA  33  36.969 -27.007 -10.463
  211    HB1  ALA  33           HB1      ALA  33  38.209 -28.842 -10.127
  212    HB2  ALA  33           HB2      ALA  33  37.253 -29.173  -8.682
  213    HB3  ALA  33           HB3      ALA  33  38.746 -28.242  -8.557
  214    H    ILE  34           HN       ILE  34  36.562 -27.763  -6.996
  215    HA   ILE  34           HA       ILE  34  33.934 -28.613  -7.103
  216    HB   ILE  34           HB       ILE  34  35.608 -27.356  -4.960
  217   HG12  ILE  34          HG12      ILE  34  35.530 -29.858  -5.834
  218   HG13  ILE  34          HG11      ILE  34  35.692 -29.516  -4.113
  219   HG21  ILE  34          HG21      ILE  34  33.533 -26.423  -4.333
  220   HG22  ILE  34          HG22      ILE  34  33.601 -27.929  -3.419
  221   HG23  ILE  34          HG23      ILE  34  32.629 -27.831  -4.889
  222   HD11  ILE  34          HD11      ILE  34  33.901 -31.245  -4.834
  223   HD12  ILE  34          HD12      ILE  34  32.972 -29.850  -5.379
  224   HD13  ILE  34          HD13      ILE  34  33.422 -30.003  -3.680
  225    H    TYR  35           HN       TYR  35  35.176 -25.316  -6.713
  226    HA   TYR  35           HA       TYR  35  32.757 -23.993  -6.255
  227    HB2  TYR  35           HB2      TYR  35  35.455 -23.274  -6.866
  228    HB3  TYR  35           HB1      TYR  35  34.379 -22.341  -7.907
  229    HD1  TYR  35           HD2      TYR  35  34.906 -23.357  -4.348
  230    HD2  TYR  35           HD1      TYR  35  33.183 -20.500  -7.053
  231    HE1  TYR  35           HE2      TYR  35  34.306 -21.904  -2.430
  232    HE2  TYR  35           HE1      TYR  35  32.584 -19.046  -5.134
  233    HH   TYR  35           HH       TYR  35  32.887 -20.136  -1.838
  234    H    MET  36           HN       MET  36  34.453 -24.450  -9.365
  235    HA   MET  36           HA       MET  36  32.398 -23.380 -10.972
  236    HB2  MET  36           HB2      MET  36  34.825 -25.040 -11.427
  237    HB3  MET  36           HB1      MET  36  33.603 -25.031 -12.700
  238    HG2  MET  36           HG2      MET  36  34.680 -22.494 -11.450
  239    HG3  MET  36           HG1      MET  36  35.390 -23.226 -12.890
  240    HE1  MET  36           HE1      MET  36  32.642 -21.046 -11.399
  241    HE2  MET  36           HE2      MET  36  32.378 -20.134 -12.884
  242    HE3  MET  36           HE3      MET  36  34.016 -20.347 -12.268
  243    H    LEU  37           HN       LEU  37  33.298 -26.800 -10.460
  244    HA   LEU  37           HA       LEU  37  31.249 -28.026 -11.825
  245    HB2  LEU  37           HB2      LEU  37  33.096 -29.262 -10.787
  246    HB3  LEU  37           HB1      LEU  37  32.451 -28.898  -9.186
  247    HG   LEU  37           HG       LEU  37  30.446 -30.063 -10.975
  248   HD11  LEU  37          HD11      LEU  37  31.430 -32.369 -10.815
  249   HD12  LEU  37          HD12      LEU  37  32.938 -31.638 -10.266
  250   HD13  LEU  37          HD13      LEU  37  32.330 -31.295 -11.885
  251   HD21  LEU  37          HD21      LEU  37  30.294 -29.742  -8.480
  252   HD22  LEU  37          HD22      LEU  37  31.539 -30.977  -8.297
  253   HD23  LEU  37          HD23      LEU  37  29.979 -31.397  -9.003
  254    H    VAL  38           HN       VAL  38  31.100 -26.314  -8.797
  255    HA   VAL  38           HA       VAL  38  28.382 -27.278  -8.263
  256    HB   VAL  38           HB       VAL  38  30.312 -25.567  -6.692
  257   HG11  VAL  38          HG11      VAL  38  28.235 -24.590  -6.155
  258   HG12  VAL  38          HG12      VAL  38  28.440 -25.821  -4.909
  259   HG13  VAL  38          HG13      VAL  38  27.378 -26.126  -6.284
  260   HG21  VAL  38          HG21      VAL  38  28.977 -28.202  -6.014
  261   HG22  VAL  38          HG22      VAL  38  30.315 -27.430  -5.165
  262   HG23  VAL  38          HG23      VAL  38  30.562 -28.093  -6.780
  263    H    PHE  39           HN       PHE  39  30.080 -24.533  -9.528
  264    HA   PHE  39           HA       PHE  39  27.923 -22.654  -9.198
  265    HB2  PHE  39           HB2      PHE  39  30.375 -22.053  -9.409
  266    HB3  PHE  39           HB1      PHE  39  30.246 -22.459 -11.120
  267    HD1  PHE  39           HD1      PHE  39  28.589 -21.221 -12.567
  268    HD2  PHE  39           HD2      PHE  39  29.529 -19.991  -8.561
  269    HE1  PHE  39           HE1      PHE  39  27.634 -18.979 -13.032
  270    HE2  PHE  39           HE2      PHE  39  28.575 -17.750  -9.025
  271    HZ   PHE  39           HZ       PHE  39  27.627 -17.243 -11.260
  272    H    LEU  40           HN       LEU  40  29.377 -24.192 -12.078
  273    HA   LEU  40           HA       LEU  40  27.325 -23.388 -13.854
  274    HB2  LEU  40           HB2      LEU  40  28.284 -25.068 -15.384
  275    HB3  LEU  40           HB1      LEU  40  29.542 -24.078 -14.642
  276    HG   LEU  40           HG       LEU  40  29.253 -26.145 -12.829
  277   HD11  LEU  40          HD11      LEU  40  29.102 -27.283 -15.638
  278   HD12  LEU  40          HD12      LEU  40  27.798 -27.341 -14.452
  279   HD13  LEU  40          HD13      LEU  40  29.302 -28.211 -14.151
  280   HD21  LEU  40          HD21      LEU  40  31.395 -26.985 -13.925
  281   HD22  LEU  40          HD22      LEU  40  31.394 -25.276 -13.489
  282   HD23  LEU  40          HD23      LEU  40  31.142 -25.759 -15.166
  283    H    LEU  41           HN       LEU  41  27.052 -25.362 -11.269
  284    HA   LEU  41           HA       LEU  41  25.207 -27.264 -12.545
  285    HB2  LEU  41           HB2      LEU  41  26.957 -27.341 -10.236
  286    HB3  LEU  41           HB1      LEU  41  25.310 -27.793  -9.798
  287    HG   LEU  41           HG       LEU  41  26.788 -28.960 -12.171
  288   HD11  LEU  41          HD11      LEU  41  27.952 -30.195 -10.689
  289   HD12  LEU  41          HD12      LEU  41  26.424 -30.919 -10.186
  290   HD13  LEU  41          HD13      LEU  41  27.055 -29.507  -9.336
  291   HD21  LEU  41          HD21      LEU  41  24.693 -30.562 -10.974
  292   HD22  LEU  41          HD22      LEU  41  24.828 -29.979 -12.632
  293   HD23  LEU  41          HD23      LEU  41  24.072 -28.968 -11.401
  294    H    GLY  42           HN       GLY  42  25.218 -25.436  -9.477
  295    HA2  GLY  42           HA2      GLY  42  22.304 -25.222  -9.615
  296    HA3  GLY  42           HA1      GLY  42  23.314 -24.819  -8.230
  297    H    THR  43           HN       THR  43  24.540 -23.585 -11.137
  298    HA   THR  43           HA       THR  43  23.158 -21.003 -10.790
  299    HB   THR  43           HB       THR  43  26.017 -20.787 -11.437
  300    HG1  THR  43           HG1      THR  43  25.815 -22.519  -9.812
  301   HG21  THR  43          HG21      THR  43  24.507 -18.873 -10.992
  302   HG22  THR  43          HG22      THR  43  25.842 -18.933  -9.842
  303   HG23  THR  43          HG23      THR  43  24.237 -19.483  -9.360
  304    H    THR  44           HN       THR  44  22.875 -23.129 -12.765
  305    HA   THR  44           HA       THR  44  23.532 -21.549 -15.168
  306    HB   THR  44           HB       THR  44  24.078 -24.467 -14.673
  307    HG1  THR  44           HG1      THR  44  25.477 -22.194 -15.050
  308   HG21  THR  44          HG21      THR  44  23.441 -23.062 -17.257
  309   HG22  THR  44          HG22      THR  44  22.885 -24.636 -16.687
  310   HG23  THR  44          HG23      THR  44  24.549 -24.434 -17.234
  311    H    GLY  45           HN       GLY  45  21.708 -24.354 -13.944
  312    HA2  GLY  45           HA2      GLY  45  19.498 -23.643 -15.779
  313    HA3  GLY  45           HA1      GLY  45  19.795 -25.258 -15.142
  314    H    ASN  46           HN       ASN  46  20.440 -23.173 -12.683
  315    HA   ASN  46           HA       ASN  46  17.766 -23.579 -11.516
  316    HB2  ASN  46           HB2      ASN  46  20.517 -23.256 -10.363
  317    HB3  ASN  46           HB1      ASN  46  19.099 -22.899  -9.379
  318   HD21  ASN  46          HD21      ASN  46  20.879 -25.491 -10.992
  319   HD22  ASN  46          HD22      ASN  46  19.998 -26.766 -10.300
  320    H    GLY  47           HN       GLY  47  20.362 -21.129 -11.342
  321    HA2  GLY  47           HA2      GLY  47  18.859 -19.023 -10.348
  322    HA3  GLY  47           HA1      GLY  47  20.276 -18.827 -11.377
  323    H    LEU  48           HN       LEU  48  19.343 -20.012 -13.725
  324    HA   LEU  48           HA       LEU  48  17.977 -17.886 -14.948
  325    HB2  LEU  48           HB2      LEU  48  19.406 -19.555 -16.141
  326    HB3  LEU  48           HB1      LEU  48  18.137 -20.754 -15.905
  327    HG   LEU  48           HG       LEU  48  16.549 -19.283 -17.142
  328   HD11  LEU  48          HD11      LEU  48  17.250 -17.086 -17.029
  329   HD12  LEU  48          HD12      LEU  48  17.941 -17.520 -18.592
  330   HD13  LEU  48          HD13      LEU  48  18.957 -17.511 -17.152
  331   HD21  LEU  48          HD21      LEU  48  18.441 -19.372 -19.254
  332   HD22  LEU  48          HD22      LEU  48  17.196 -20.562 -18.877
  333   HD23  LEU  48          HD23      LEU  48  18.810 -20.726 -18.186
  334    H    VAL  49           HN       VAL  49  16.801 -21.120 -14.011
  335    HA   VAL  49           HA       VAL  49  14.126 -20.745 -14.784
  336    HB   VAL  49           HB       VAL  49  15.480 -22.547 -12.793
  337   HG11  VAL  49          HG11      VAL  49  13.119 -23.669 -12.766
  338   HG12  VAL  49          HG12      VAL  49  12.537 -22.065 -13.211
  339   HG13  VAL  49          HG13      VAL  49  13.417 -22.296 -11.700
  340   HG21  VAL  49          HG21      VAL  49  13.752 -23.480 -15.034
  341   HG22  VAL  49          HG22      VAL  49  15.285 -24.130 -14.451
  342   HG23  VAL  49          HG23      VAL  49  15.269 -22.698 -15.481
  343    H    LEU  50           HN       LEU  50  15.319 -20.805 -11.421
  344    HA   LEU  50           HA       LEU  50  13.129 -19.756 -10.151
  345    HB2  LEU  50           HB2      LEU  50  16.008 -19.079  -9.499
  346    HB3  LEU  50           HB1      LEU  50  14.640 -19.005  -8.390
  347    HG   LEU  50           HG       LEU  50  15.631 -21.515  -9.774
  348   HD11  LEU  50          HD11      LEU  50  17.066 -21.756  -8.060
  349   HD12  LEU  50          HD12      LEU  50  15.747 -21.581  -6.903
  350   HD13  LEU  50          HD13      LEU  50  16.609 -20.155  -7.480
  351   HD21  LEU  50          HD21      LEU  50  14.082 -22.452  -7.837
  352   HD22  LEU  50          HD22      LEU  50  13.381 -21.955  -9.377
  353   HD23  LEU  50          HD23      LEU  50  13.307 -20.875  -7.986
  354    H    TRP  51           HN       TRP  51  15.392 -18.105 -12.208
  355    HA   TRP  51           HA       TRP  51  14.564 -15.451 -11.381
  356    HB2  TRP  51           HB2      TRP  51  16.841 -15.703 -12.122
  357    HB3  TRP  51           HB1      TRP  51  16.320 -16.442 -13.637
  358    HD1  TRP  51           HD1      TRP  51  16.638 -13.101 -11.873
  359    HE1  TRP  51           HE1      TRP  51  16.177 -11.207 -13.561
  360    HE3  TRP  51           HE3      TRP  51  14.995 -15.842 -15.856
  361    HZ2  TRP  51           HZ2      TRP  51  15.239 -10.894 -16.245
  362    HZ3  TRP  51           HZ3      TRP  51  14.325 -14.724 -17.963
  363    HH2  TRP  51           HH2      TRP  51  14.445 -12.255 -18.162
  364    H    THR  52           HN       THR  52  14.141 -17.528 -14.242
  365    HA   THR  52           HA       THR  52  12.494 -15.697 -15.664
  366    HB   THR  52           HB       THR  52  13.074 -18.634 -15.888
  367    HG1  THR  52           HG1      THR  52  14.147 -17.964 -17.617
  368   HG21  THR  52          HG21      THR  52  10.806 -18.693 -16.500
  369   HG22  THR  52          HG22      THR  52  11.627 -18.430 -18.039
  370   HG23  THR  52          HG23      THR  52  10.860 -17.077 -17.207
  371    H    VAL  53           HN       VAL  53  11.773 -18.498 -13.598
  372    HA   VAL  53           HA       VAL  53   8.989 -18.501 -13.887
  373    HB   VAL  53           HB       VAL  53  10.767 -19.339 -11.595
  374   HG11  VAL  53          HG11      VAL  53   8.502 -20.682 -11.112
  375   HG12  VAL  53          HG12      VAL  53   7.793 -19.244 -11.847
  376   HG13  VAL  53          HG13      VAL  53   8.804 -19.093 -10.410
  377   HG21  VAL  53          HG21      VAL  53   9.137 -20.974 -13.559
  378   HG22  VAL  53          HG22      VAL  53  10.369 -21.561 -12.442
  379   HG23  VAL  53          HG23      VAL  53  10.832 -20.560 -13.818
  380    H    PHE  54           HN       PHE  54  11.017 -16.851 -11.467
  381    HA   PHE  54           HA       PHE  54   8.992 -15.681  -9.953
  382    HB2  PHE  54           HB2      PHE  54  11.848 -15.043 -10.506
  383    HB3  PHE  54           HB1      PHE  54  10.858 -13.780  -9.769
  384    HD1  PHE  54           HD2      PHE  54  10.780 -17.510  -9.408
  385    HD2  PHE  54           HD1      PHE  54  11.372 -13.715  -7.482
  386    HE1  PHE  54           HE2      PHE  54  10.953 -18.651  -7.212
  387    HE2  PHE  54           HE1      PHE  54  11.545 -14.856  -5.287
  388    HZ   PHE  54           HZ       PHE  54  11.336 -17.324  -5.152
  389    H    ARG  55           HN       ARG  55   9.962 -15.028 -13.174
  390    HA   ARG  55           HA       ARG  55   8.623 -12.405 -13.172
  391    HB2  ARG  55           HB2      ARG  55  10.688 -13.720 -14.865
  392    HB3  ARG  55           HB1      ARG  55   9.580 -12.613 -15.672
  393    HG2  ARG  55           HG2      ARG  55  10.376 -10.766 -14.542
  394    HG3  ARG  55           HG1      ARG  55  10.783 -11.691 -13.099
  395    HD2  ARG  55           HD2      ARG  55  12.317 -12.237 -15.608
  396    HD3  ARG  55           HD1      ARG  55  12.683 -10.774 -14.700
  397    HE   ARG  55           HE       ARG  55  13.396 -13.431 -13.953
  398   HH11  ARG  55          HH21      ARG  55  12.311 -10.379 -12.735
  399   HH12  ARG  55          HH22      ARG  55  13.003 -10.604 -11.163
  400   HH21  ARG  55          HH11      ARG  55  14.298 -13.738 -11.891
  401   HH22  ARG  55          HH12      ARG  55  14.127 -12.506 -10.685
  402    H    LYS  56           HN       LYS  56   7.990 -15.637 -13.799
  403    HA   LYS  56           HA       LYS  56   5.884 -14.975 -15.761
  404    HB2  LYS  56           HB2      LYS  56   6.208 -16.995 -16.739
  405    HB3  LYS  56           HB1      LYS  56   7.774 -16.923 -15.937
  406    HG2  LYS  56           HG2      LYS  56   6.682 -18.089 -13.948
  407    HG3  LYS  56           HG1      LYS  56   5.276 -18.356 -14.980
  408    HD2  LYS  56           HD2      LYS  56   8.021 -19.201 -15.899
  409    HD3  LYS  56           HD1      LYS  56   7.070 -20.231 -14.836
  410    HE2  LYS  56           HE2      LYS  56   5.198 -20.156 -16.466
  411    HE3  LYS  56           HE1      LYS  56   6.199 -19.185 -17.545
  412    HZ1  LYS  56           HZ1      LYS  56   6.104 -21.765 -17.780
  413    HZ2  LYS  56           HZ2      LYS  56   7.262 -21.725 -16.538
  414    HZ3  LYS  56           HZ3      LYS  56   7.563 -20.934 -18.011
  415    H    LYS  57           HN       LYS  57   6.525 -16.061 -12.553
  416    HA   LYS  57           HA       LYS  57   3.787 -16.977 -12.123
  417    HB2  LYS  57           HB2      LYS  57   5.984 -17.960 -11.071
  418    HB3  LYS  57           HB1      LYS  57   5.806 -16.627  -9.929
  419    HG2  LYS  57           HG2      LYS  57   3.490 -17.376  -9.442
  420    HG3  LYS  57           HG1      LYS  57   3.715 -18.739 -10.541
  421    HD2  LYS  57           HD2      LYS  57   5.831 -19.227  -9.067
  422    HD3  LYS  57           HD1      LYS  57   5.001 -18.230  -7.871
  423    HE2  LYS  57           HE2      LYS  57   4.027 -20.796  -9.141
  424    HE3  LYS  57           HE1      LYS  57   4.313 -20.475  -7.431
  425    HZ1  LYS  57           HZ1      LYS  57   2.023 -19.849  -9.062
  426    HZ2  LYS  57           HZ2      LYS  57   2.555 -18.548  -8.108
  427    HZ3  LYS  57           HZ3      LYS  57   2.141 -20.026  -7.379
  428    H    GLY  58           HN       GLY  58   5.811 -14.195 -11.618
  429    HA2  GLY  58           HA2      GLY  58   4.575 -12.797  -9.595
  430    HA3  GLY  58           HA1      GLY  58   5.243 -12.034 -11.040
  431    H    HIS  59           HN       HIS  59   3.716 -12.847 -13.021
  432    HA   HIS  59           HA       HIS  59   0.928 -12.780 -12.506
  433    HB2  HIS  59           HB2      HIS  59   1.129 -10.508 -11.954
  434    HB3  HIS  59           HB1      HIS  59   2.371 -10.229 -13.168
  435    HD2  HIS  59           HD2      HIS  59   1.417  -9.455 -15.655
  436    HE1  HIS  59           HE1      HIS  59  -2.698  -9.941 -14.836
  437    HE2  HIS  59           HE2      HIS  59  -1.018  -9.088 -16.538
  438    H    HIS  60           HN       HIS  60   3.189 -14.012 -14.144
  439    HA   HIS  60           HA       HIS  60   3.620 -14.692 -16.312
  440    HB2  HIS  60           HB2      HIS  60   1.679 -16.058 -15.590
  441    HB3  HIS  60           HB1      HIS  60   0.598 -14.851 -16.286
  442    HD2  HIS  60           HD2      HIS  60   3.461 -17.270 -17.640
  443    HE1  HIS  60           HE1      HIS  60   0.777 -16.398 -20.780
  444    HE2  HIS  60           HE2      HIS  60   2.829 -17.744 -20.129
  445    H    HIS  61           HN       HIS  61   3.352 -11.808 -15.995
  446    HA   HIS  61           HA       HIS  61   1.773 -10.522 -17.866
  447    HB2  HIS  61           HB2      HIS  61   3.714  -9.714 -16.163
  448    HB3  HIS  61           HB1      HIS  61   4.569  -9.568 -17.698
  449    HD2  HIS  61           HD2      HIS  61   3.140  -6.974 -15.844
  450    HE1  HIS  61           HE1      HIS  61   0.986  -6.498 -19.444
  451    HE2  HIS  61           HE2      HIS  61   1.646  -5.372 -17.266
  452    H    HIS  62           HN       HIS  62   2.568  -9.486 -19.939
  453    HA   HIS  62           HA       HIS  62   3.206 -11.517 -21.819
  454    HB2  HIS  62           HB2      HIS  62   2.694  -8.599 -21.886
  455    HB3  HIS  62           HB1      HIS  62   3.656  -9.245 -23.215
  456    HD2  HIS  62           HD2      HIS  62   2.232 -10.867 -25.028
  457    HE1  HIS  62           HE1      HIS  62  -1.498 -10.637 -23.063
  458    HE2  HIS  62           HE2      HIS  62  -0.316 -11.421 -25.169
  459    H    HIS  63           HN       HIS  63   5.008  -8.476 -21.565
  460    HA   HIS  63           HA       HIS  63   7.480  -9.933 -22.140
  461    HB2  HIS  63           HB2      HIS  63   6.680  -7.724 -23.280
  462    HB3  HIS  63           HB1      HIS  63   7.296  -6.953 -21.819
  463    HD2  HIS  63           HD2      HIS  63   8.694  -7.649 -25.156
  464    HE1  HIS  63           HE1      HIS  63  11.962  -8.360 -22.580
  465    HE2  HIS  63           HE2      HIS  63  11.280  -7.979 -24.996
  466    H    HIS  64           HN       HIS  64   6.367 -10.372 -19.588
  467    HA   HIS  64           HA       HIS  64   6.796 -10.188 -17.319
  468    HB2  HIS  64           HB2      HIS  64   9.629 -10.037 -18.374
  469    HB3  HIS  64           HB1      HIS  64   9.124 -10.604 -16.782
  470    HD2  HIS  64           HD2      HIS  64   9.390 -11.939 -20.427
  471    HE1  HIS  64           HE1      HIS  64   7.598 -14.977 -18.108
  472    HE2  HIS  64           HE2      HIS  64   8.606 -14.429 -20.372
  Start of MODEL   40
    1    H1   MET   1           HT1      MET   1  22.913  -9.502   3.362
    2    H2   MET   1           HT2      MET   1  24.481 -10.112   3.121
    3    H3   MET   1           HT3      MET   1  24.194  -8.947   4.325
    4    HA   MET   1           HA       MET   1  24.422 -11.048   5.394
    5    HB2  MET   1           HB2      MET   1  21.452 -10.527   5.248
    6    HB3  MET   1           HB1      MET   1  22.408 -11.042   6.638
    7    HG2  MET   1           HG2      MET   1  22.450  -8.326   5.299
    8    HG3  MET   1           HG1      MET   1  21.902  -8.699   6.933
    9    HE1  MET   1           HE1      MET   1  23.268  -6.868   7.869
   10    HE2  MET   1           HE2      MET   1  24.023  -6.395   6.348
   11    HE3  MET   1           HE3      MET   1  25.025  -6.684   7.769
   12    H    GLU   2           HN       GLU   2  25.019 -12.422   3.488
   13    HA   GLU   2           HA       GLU   2  23.212 -14.644   3.300
   14    HB2  GLU   2           HB2      GLU   2  22.320 -12.972   1.594
   15    HB3  GLU   2           HB1      GLU   2  23.816 -13.239   0.697
   16    HG2  GLU   2           HG2      GLU   2  23.091 -15.807   1.169
   17    HG3  GLU   2           HG1      GLU   2  21.500 -15.051   1.096
   18    H    GLU   3           HN       GLU   3  25.345 -15.255   4.318
   19    HA   GLU   3           HA       GLU   3  26.873 -16.777   2.476
   20    HB2  GLU   3           HB2      GLU   3  27.720 -14.332   2.176
   21    HB3  GLU   3           HB1      GLU   3  28.511 -14.593   3.730
   22    HG2  GLU   3           HG2      GLU   3  30.111 -15.227   2.076
   23    HG3  GLU   3           HG1      GLU   3  29.475 -16.734   2.734
   24    H    GLY   4           HN       GLY   4  25.494 -17.342   4.831
   25    HA2  GLY   4           HA2      GLY   4  26.071 -18.996   6.452
   26    HA3  GLY   4           HA1      GLY   4  27.700 -18.328   6.509
   27    H    GLY   5           HN       GLY   5  28.067 -16.365   7.657
   28    HA2  GLY   5           HA2      GLY   5  27.876 -15.130   9.603
   29    HA3  GLY   5           HA1      GLY   5  26.296 -14.720   8.941
   30    H    ASP   6           HN       ASP   6  25.769 -14.598  11.295
   31    HA   ASP   6           HA       ASP   6  24.599 -17.132  12.142
   32    HB2  ASP   6           HB2      ASP   6  26.634 -15.618  13.783
   33    HB3  ASP   6           HB1      ASP   6  25.521 -16.796  14.475
   34    H    PHE   7           HN       PHE   7  23.272 -14.948  11.157
   35    HA   PHE   7           HA       PHE   7  21.729 -13.291  11.646
   36    HB2  PHE   7           HB2      PHE   7  20.952 -14.828  14.080
   37    HB3  PHE   7           HB1      PHE   7  19.941 -14.165  12.795
   38    HD1  PHE   7           HD2      PHE   7  21.233 -15.216  10.369
   39    HD2  PHE   7           HD1      PHE   7  20.464 -17.134  14.135
   40    HE1  PHE   7           HE2      PHE   7  21.216 -17.424   9.241
   41    HE2  PHE   7           HE1      PHE   7  20.447 -19.342  13.007
   42    HZ   PHE   7           HZ       PHE   7  20.822 -19.488  10.560
   43    H    ASP   8           HN       ASP   8  24.229 -12.576  12.628
   44    HA   ASP   8           HA       ASP   8  23.442 -10.856  14.841
   45    HB2  ASP   8           HB2      ASP   8  24.370 -13.039  15.808
   46    HB3  ASP   8           HB1      ASP   8  25.926 -12.536  15.150
   47    H    ASN   9           HN       ASN   9  24.026 -10.286  12.146
   48    HA   ASN   9           HA       ASN   9  26.558  -9.612  11.390
   49    HB2  ASN   9           HB2      ASN   9  25.545  -7.654  10.207
   50    HB3  ASN   9           HB1      ASN   9  24.675  -9.165   9.944
   51   HD21  ASN   9          HD21      ASN   9  22.819  -9.516  11.683
   52   HD22  ASN   9          HD22      ASN   9  21.891  -8.140  12.042
   53    H    TYR  10           HN       TYR  10  27.558  -7.376  11.347
   54    HA   TYR  10           HA       TYR  10  28.618  -5.690  12.473
   55    HB2  TYR  10           HB2      TYR  10  26.082  -5.043  12.541
   56    HB3  TYR  10           HB1      TYR  10  26.237  -5.402  14.262
   57    HD1  TYR  10           HD2      TYR  10  27.814  -3.434  11.498
   58    HD2  TYR  10           HD1      TYR  10  27.189  -3.825  15.730
   59    HE1  TYR  10           HE2      TYR  10  28.900  -1.234  11.861
   60    HE2  TYR  10           HE1      TYR  10  28.275  -1.624  16.093
   61    HH   TYR  10           HH       TYR  10  29.492   0.004  15.132
   62    H    TYR  11           HN       TYR  11  29.950  -5.409  14.230
   63    HA   TYR  11           HA       TYR  11  31.245  -6.241  15.960
   64    HB2  TYR  11           HB2      TYR  11  29.072  -5.040  16.930
   65    HB3  TYR  11           HB1      TYR  11  28.754  -6.664  17.541
   66    HD1  TYR  11           HD1      TYR  11  31.158  -3.843  17.568
   67    HD2  TYR  11           HD2      TYR  11  30.112  -7.647  19.270
   68    HE1  TYR  11           HE1      TYR  11  32.813  -3.487  19.381
   69    HE2  TYR  11           HE2      TYR  11  31.767  -7.290  21.082
   70    HH   TYR  11           HH       TYR  11  32.953  -5.532  22.167
   71    H    GLY  12           HN       GLY  12  30.552  -8.253  14.105
   72    HA2  GLY  12           HA2      GLY  12  31.368 -10.574  15.265
   73    HA3  GLY  12           HA1      GLY  12  29.624 -10.594  15.518
   74    H    ALA  13           HN       ALA  13  31.082  -9.080  12.730
   75    HA   ALA  13           HA       ALA  13  30.177 -11.323  11.028
   76    HB1  ALA  13           HB1      ALA  13  29.302  -8.538  11.036
   77    HB2  ALA  13           HB2      ALA  13  28.584  -9.941  10.246
   78    HB3  ALA  13           HB3      ALA  13  29.893  -9.059   9.459
   79    H    ASP  14           HN       ASP  14  32.470  -8.772  11.650
   80    HA   ASP  14           HA       ASP  14  33.969  -9.317   9.205
   81    HB2  ASP  14           HB2      ASP  14  34.275  -7.350  11.466
   82    HB3  ASP  14           HB1      ASP  14  35.554  -7.594  10.278
   83    H    ASN  15           HN       ASN  15  34.100  -9.984  12.644
   84    HA   ASN  15           HA       ASN  15  36.734 -10.763  12.985
   85    HB2  ASN  15           HB2      ASN  15  34.858 -10.678  14.719
   86    HB3  ASN  15           HB1      ASN  15  34.414 -12.290  14.161
   87   HD21  ASN  15          HD21      ASN  15  36.023 -14.039  14.474
   88   HD22  ASN  15          HD22      ASN  15  37.254 -13.867  15.629
   89    H    GLN  16           HN       GLN  16  34.163 -12.369  11.264
   90    HA   GLN  16           HA       GLN  16  35.701 -14.842  10.997
   91    HB2  GLN  16           HB2      GLN  16  33.688 -15.547   9.627
   92    HB3  GLN  16           HB1      GLN  16  33.356 -15.174  11.318
   93    HG2  GLN  16           HG2      GLN  16  32.395 -13.081  10.790
   94    HG3  GLN  16           HG1      GLN  16  33.103 -13.066   9.176
   95   HE21  GLN  16          HE21      GLN  16  31.862 -13.957   7.485
   96   HE22  GLN  16          HE22      GLN  16  30.397 -14.783   7.720
   97    H    SER  17           HN       SER  17  36.557 -12.218   9.819
   98    HA   SER  17           HA       SER  17  36.935 -13.205   7.067
   99    HB2  SER  17           HB2      SER  17  35.168 -11.237   7.486
  100    HB3  SER  17           HB1      SER  17  36.638 -10.269   7.441
  101    HG   SER  17           HG       SER  17  36.272 -12.248   5.499
  102    H    GLU  18           HN       GLU  18  37.928 -10.772   9.473
  103    HA   GLU  18           HA       GLU  18  40.401 -10.112   8.330
  104    HB2  GLU  18           HB2      GLU  18  40.869  -9.003  10.323
  105    HB3  GLU  18           HB1      GLU  18  39.106  -9.060  10.347
  106    HG2  GLU  18           HG2      GLU  18  39.433 -11.323  11.599
  107    HG3  GLU  18           HG1      GLU  18  41.067 -10.734  11.903
  108    H    CYS  19           HN       CYS  19  39.371 -12.947   9.988
  109    HA   CYS  19           HA       CYS  19  42.149 -13.820  10.429
  110    HB2  CYS  19           HB2      CYS  19  39.575 -15.138  11.321
  111    HB3  CYS  19           HB1      CYS  19  41.210 -15.573  11.818
  112    HG   CYS  19           HG       CYS  19  41.111 -13.791  13.527
  113    H    GLU  20           HN       GLU  20  39.270 -14.472   8.557
  114    HA   GLU  20           HA       GLU  20  40.358 -16.940   7.450
  115    HB2  GLU  20           HB2      GLU  20  37.843 -15.426   6.707
  116    HB3  GLU  20           HB1      GLU  20  38.261 -17.069   6.218
  117    HG2  GLU  20           HG2      GLU  20  38.520 -17.342   8.884
  118    HG3  GLU  20           HG1      GLU  20  37.310 -16.060   8.850
  119    H    TYR  21           HN       TYR  21  40.430 -13.592   6.788
  120    HA   TYR  21           HA       TYR  21  40.640 -13.662   3.951
  121    HB2  TYR  21           HB2      TYR  21  40.195 -11.526   4.710
  122    HB3  TYR  21           HB1      TYR  21  41.277 -11.678   6.094
  123    HD1  TYR  21           HD2      TYR  21  43.728 -11.469   5.812
  124    HD2  TYR  21           HD1      TYR  21  41.017 -10.848   2.538
  125    HE1  TYR  21           HE2      TYR  21  45.539 -10.372   4.521
  126    HE2  TYR  21           HE1      TYR  21  42.828  -9.751   1.247
  127    HH   TYR  21           HH       TYR  21  46.106  -9.398   2.616
  128    H    THR  22           HN       THR  22  42.984 -13.903   6.581
  129    HA   THR  22           HA       THR  22  45.295 -13.810   4.894
  130    HB   THR  22           HB       THR  22  46.006 -15.178   7.221
  131    HG1  THR  22           HG1      THR  22  44.703 -14.539   8.742
  132   HG21  THR  22          HG21      THR  22  45.957 -12.235   6.517
  133   HG22  THR  22          HG22      THR  22  47.289 -13.367   6.282
  134   HG23  THR  22          HG23      THR  22  46.815 -12.888   7.913
  135    H    ASP  23           HN       ASP  23  42.994 -16.227   5.671
  136    HA   ASP  23           HA       ASP  23  44.799 -18.412   4.903
  137    HB2  ASP  23           HB2      ASP  23  41.999 -18.363   6.036
  138    HB3  ASP  23           HB1      ASP  23  42.792 -19.840   5.492
  139    H    TRP  24           HN       TRP  24  41.533 -17.241   4.049
  140    HA   TRP  24           HA       TRP  24  40.943 -18.762   1.877
  141    HB2  TRP  24           HB2      TRP  24  39.256 -17.270   2.169
  142    HB3  TRP  24           HB1      TRP  24  40.349 -15.973   2.652
  143    HD1  TRP  24           HD1      TRP  24  39.094 -17.780  -0.506
  144    HE1  TRP  24           HE1      TRP  24  39.331 -16.175  -2.510
  145    HE3  TRP  24           HE3      TRP  24  41.480 -13.880   1.768
  146    HZ2  TRP  24           HZ2      TRP  24  40.394 -13.580  -3.073
  147    HZ3  TRP  24           HZ3      TRP  24  42.093 -11.855   0.476
  148    HH2  TRP  24           HH2      TRP  24  41.554 -11.700  -1.939
  149    H    LYS  25           HN       LYS  25  43.160 -16.001   1.951
  150    HA   LYS  25           HA       LYS  25  43.686 -15.693  -0.751
  151    HB2  LYS  25           HB2      LYS  25  44.596 -14.363   1.263
  152    HB3  LYS  25           HB1      LYS  25  45.874 -15.577   1.313
  153    HG2  LYS  25           HG2      LYS  25  46.420 -15.094  -1.051
  154    HG3  LYS  25           HG1      LYS  25  45.160 -13.861  -1.083
  155    HD2  LYS  25           HD2      LYS  25  46.356 -12.749   0.864
  156    HD3  LYS  25           HD1      LYS  25  47.690 -13.866   0.577
  157    HE2  LYS  25           HE2      LYS  25  47.294 -12.960  -1.946
  158    HE3  LYS  25           HE1      LYS  25  46.796 -11.538  -1.030
  159    HZ1  LYS  25           HZ1      LYS  25  49.406 -12.925  -0.994
  160    HZ2  LYS  25           HZ2      LYS  25  48.936 -11.882   0.262
  161    HZ3  LYS  25           HZ3      LYS  25  49.082 -11.293  -1.325
  162    H    SER  26           HN       SER  26  44.942 -18.097   1.505
  163    HA   SER  26           HA       SER  26  46.559 -19.302  -0.633
  164    HB2  SER  26           HB2      SER  26  46.442 -19.724   2.352
  165    HB3  SER  26           HB1      SER  26  47.331 -20.803   1.279
  166    HG   SER  26           HG       SER  26  47.971 -18.353   0.584
  167    H    SER  27           HN       SER  27  43.726 -19.860   1.346
  168    HA   SER  27           HA       SER  27  43.424 -22.588   0.328
  169    HB2  SER  27           HB2      SER  27  42.058 -20.955   2.440
  170    HB3  SER  27           HB1      SER  27  41.257 -22.375   1.774
  171    HG   SER  27           HG       SER  27  42.549 -22.883   3.595
  172    H    GLY  28           HN       GLY  28  43.037 -19.839  -1.132
  173    HA2  GLY  28           HA2      GLY  28  40.259 -20.029  -1.978
  174    HA3  GLY  28           HA1      GLY  28  41.443 -18.847  -2.527
  175    H    ALA  29           HN       ALA  29  42.957 -21.753  -2.689
  176    HA   ALA  29           HA       ALA  29  42.344 -22.020  -5.560
  177    HB1  ALA  29           HB1      ALA  29  44.712 -21.592  -4.870
  178    HB2  ALA  29           HB2      ALA  29  44.499 -23.093  -5.774
  179    HB3  ALA  29           HB3      ALA  29  44.697 -23.139  -4.022
  180    H    LEU  30           HN       LEU  30  40.478 -23.086  -3.760
  181    HA   LEU  30           HA       LEU  30  40.488 -25.846  -4.615
  182    HB2  LEU  30           HB2      LEU  30  40.248 -26.777  -2.328
  183    HB3  LEU  30           HB1      LEU  30  41.838 -26.066  -2.602
  184    HG   LEU  30           HG       LEU  30  40.227 -23.953  -1.671
  185   HD11  LEU  30          HD11      LEU  30  39.863 -26.478  -0.025
  186   HD12  LEU  30          HD12      LEU  30  38.589 -25.623  -0.894
  187   HD13  LEU  30          HD13      LEU  30  39.389 -24.855   0.478
  188   HD21  LEU  30          HD21      LEU  30  42.585 -24.183  -1.176
  189   HD22  LEU  30          HD22      LEU  30  42.307 -25.706  -0.329
  190   HD23  LEU  30          HD23      LEU  30  41.713 -24.193   0.357
  191    H    ILE  31           HN       ILE  31  38.974 -23.213  -2.831
  192    HA   ILE  31           HA       ILE  31  36.421 -24.457  -2.577
  193    HB   ILE  31           HB       ILE  31  36.685 -21.492  -2.662
  194   HG12  ILE  31          HG12      ILE  31  38.062 -23.344  -0.726
  195   HG13  ILE  31          HG11      ILE  31  38.701 -21.902  -1.516
  196   HG21  ILE  31          HG21      ILE  31  35.025 -21.580  -1.008
  197   HG22  ILE  31          HG22      ILE  31  35.483 -23.207  -0.504
  198   HG23  ILE  31          HG23      ILE  31  34.623 -22.964  -2.024
  199   HD11  ILE  31          HD11      ILE  31  38.274 -21.118   0.644
  200   HD12  ILE  31          HD12      ILE  31  36.818 -22.098   0.818
  201   HD13  ILE  31          HD13      ILE  31  36.799 -20.664  -0.209
  202    HA   PRO  32           HA       PRO  32  35.542 -21.676  -6.517
  203    HB2  PRO  32           HB2      PRO  32  38.046 -22.198  -8.011
  204    HB3  PRO  32           HB1      PRO  32  37.134 -20.688  -7.830
  205    HG2  PRO  32           HG2      PRO  32  39.474 -21.090  -6.602
  206    HG3  PRO  32           HG1      PRO  32  38.171 -20.138  -5.869
  207    HD2  PRO  32           HD2      PRO  32  39.046 -22.934  -5.242
  208    HD3  PRO  32           HD1      PRO  32  38.445 -21.669  -4.149
  209    H    ALA  33           HN       ALA  33  37.553 -24.577  -6.590
  210    HA   ALA  33           HA       ALA  33  36.740 -25.732  -8.971
  211    HB1  ALA  33           HB1      ALA  33  36.880 -27.789  -6.995
  212    HB2  ALA  33           HB2      ALA  33  38.105 -26.575  -6.621
  213    HB3  ALA  33           HB3      ALA  33  38.085 -27.348  -8.206
  214    H    ILE  34           HN       ILE  34  35.395 -26.709  -5.812
  215    HA   ILE  34           HA       ILE  34  33.185 -28.071  -6.787
  216    HB   ILE  34           HB       ILE  34  33.789 -26.674  -4.210
  217   HG12  ILE  34          HG12      ILE  34  34.468 -29.087  -5.073
  218   HG13  ILE  34          HG11      ILE  34  34.000 -28.836  -3.392
  219   HG21  ILE  34          HG21      ILE  34  31.090 -27.675  -5.117
  220   HG22  ILE  34          HG22      ILE  34  31.484 -26.165  -4.298
  221   HG23  ILE  34          HG23      ILE  34  31.541 -27.687  -3.413
  222   HD11  ILE  34          HD11      ILE  34  32.897 -30.802  -4.670
  223   HD12  ILE  34          HD12      ILE  34  31.948 -29.559  -5.483
  224   HD13  ILE  34          HD13      ILE  34  31.846 -29.743  -3.732
  225    H    TYR  35           HN       TYR  35  33.441 -24.651  -5.864
  226    HA   TYR  35           HA       TYR  35  30.818 -23.857  -6.295
  227    HB2  TYR  35           HB2      TYR  35  33.424 -22.577  -6.112
  228    HB3  TYR  35           HB1      TYR  35  32.357 -21.737  -7.238
  229    HD1  TYR  35           HD2      TYR  35  30.131 -20.911  -6.484
  230    HD2  TYR  35           HD1      TYR  35  32.968 -22.620  -3.749
  231    HE1  TYR  35           HE2      TYR  35  28.873 -19.947  -4.576
  232    HE2  TYR  35           HE1      TYR  35  31.710 -21.657  -1.842
  233    HH   TYR  35           HH       TYR  35  29.590 -19.247  -2.069
  234    H    MET  36           HN       MET  36  33.478 -23.428  -8.637
  235    HA   MET  36           HA       MET  36  31.958 -22.723 -10.838
  236    HB2  MET  36           HB2      MET  36  34.632 -23.959 -10.448
  237    HB3  MET  36           HB1      MET  36  33.930 -24.074 -12.061
  238    HG2  MET  36           HG2      MET  36  35.359 -21.998 -11.583
  239    HG3  MET  36           HG1      MET  36  33.760 -21.713 -12.272
  240    HE1  MET  36           HE1      MET  36  33.360 -19.310 -11.546
  241    HE2  MET  36           HE2      MET  36  32.316 -19.222 -10.130
  242    HE3  MET  36           HE3      MET  36  32.010 -20.438 -11.366
  243    H    LEU  37           HN       LEU  37  33.139 -26.013 -10.075
  244    HA   LEU  37           HA       LEU  37  31.892 -27.386 -12.112
  245    HB2  LEU  37           HB2      LEU  37  33.444 -28.414 -10.449
  246    HB3  LEU  37           HB1      LEU  37  32.143 -28.370  -9.262
  247    HG   LEU  37           HG       LEU  37  30.725 -29.747 -10.818
  248   HD11  LEU  37          HD11      LEU  37  33.192 -29.466 -12.491
  249   HD12  LEU  37          HD12      LEU  37  31.500 -29.528 -12.981
  250   HD13  LEU  37          HD13      LEU  37  32.341 -31.010 -12.533
  251   HD21  LEU  37          HD21      LEU  37  31.880 -31.847 -10.357
  252   HD22  LEU  37          HD22      LEU  37  32.099 -30.758  -8.987
  253   HD23  LEU  37          HD23      LEU  37  33.410 -30.996 -10.141
  254    H    VAL  38           HN       VAL  38  30.498 -26.090  -9.166
  255    HA   VAL  38           HA       VAL  38  27.911 -27.346  -9.771
  256    HB   VAL  38           HB       VAL  38  28.891 -25.755  -7.391
  257   HG11  VAL  38          HG11      VAL  38  26.623 -25.235  -7.392
  258   HG12  VAL  38          HG12      VAL  38  26.615 -26.752  -6.492
  259   HG13  VAL  38          HG13      VAL  38  26.175 -26.737  -8.200
  260   HG21  VAL  38          HG21      VAL  38  28.948 -27.824  -6.254
  261   HG22  VAL  38          HG22      VAL  38  29.614 -28.210  -7.840
  262   HG23  VAL  38          HG23      VAL  38  27.939 -28.617  -7.464
  263    H    PHE  39           HN       PHE  39  29.558 -24.586 -10.586
  264    HA   PHE  39           HA       PHE  39  27.261 -22.782 -10.487
  265    HB2  PHE  39           HB2      PHE  39  29.737 -22.135 -10.053
  266    HB3  PHE  39           HB1      PHE  39  29.894 -22.171 -11.809
  267    HD1  PHE  39           HD2      PHE  39  28.381 -20.718 -13.218
  268    HD2  PHE  39           HD1      PHE  39  28.640 -20.333  -8.948
  269    HE1  PHE  39           HE2      PHE  39  27.354 -18.465 -13.359
  270    HE2  PHE  39           HE1      PHE  39  27.614 -18.080  -9.088
  271    HZ   PHE  39           HZ       PHE  39  26.970 -17.146 -11.294
  272    H    LEU  40           HN       LEU  40  29.288 -24.442 -12.878
  273    HA   LEU  40           HA       LEU  40  27.925 -23.349 -15.141
  274    HB2  LEU  40           HB2      LEU  40  29.110 -25.138 -16.411
  275    HB3  LEU  40           HB1      LEU  40  30.183 -24.167 -15.405
  276    HG   LEU  40           HG       LEU  40  29.484 -26.168 -13.663
  277   HD11  LEU  40          HD11      LEU  40  29.965 -27.573 -16.288
  278   HD12  LEU  40          HD12      LEU  40  28.328 -27.241 -15.726
  279   HD13  LEU  40          HD13      LEU  40  29.400 -28.255 -14.763
  280   HD21  LEU  40          HD21      LEU  40  31.770 -25.872 -15.612
  281   HD22  LEU  40          HD22      LEU  40  31.731 -27.185 -14.439
  282   HD23  LEU  40          HD23      LEU  40  31.749 -25.511 -13.887
  283    H    LEU  41           HN       LEU  41  27.196 -25.861 -12.924
  284    HA   LEU  41           HA       LEU  41  25.124 -26.931 -14.747
  285    HB2  LEU  41           HB2      LEU  41  25.120 -28.933 -13.266
  286    HB3  LEU  41           HB1      LEU  41  26.674 -28.657 -14.034
  287    HG   LEU  41           HG       LEU  41  27.336 -27.382 -11.942
  288   HD11  LEU  41          HD11      LEU  41  25.928 -28.637  -9.966
  289   HD12  LEU  41          HD12      LEU  41  24.650 -28.351 -11.143
  290   HD13  LEU  41          HD13      LEU  41  25.594 -27.000 -10.520
  291   HD21  LEU  41          HD21      LEU  41  28.200 -29.607 -12.476
  292   HD22  LEU  41          HD22      LEU  41  26.763 -30.350 -11.773
  293   HD23  LEU  41          HD23      LEU  41  27.900 -29.482 -10.743
  294    H    GLY  42           HN       GLY  42  25.649 -24.970 -12.075
  295    HA2  GLY  42           HA2      GLY  42  22.931 -25.437 -11.009
  296    HA3  GLY  42           HA1      GLY  42  24.246 -24.675 -10.122
  297    H    THR  43           HN       THR  43  24.422 -23.561 -13.220
  298    HA   THR  43           HA       THR  43  22.596 -21.292 -12.721
  299    HB   THR  43           HB       THR  43  25.262 -20.873 -14.028
  300    HG1  THR  43           HG1      THR  43  26.167 -20.533 -12.048
  301   HG21  THR  43          HG21      THR  43  24.805 -18.647 -13.695
  302   HG22  THR  43          HG22      THR  43  23.935 -18.943 -12.191
  303   HG23  THR  43          HG23      THR  43  23.147 -19.244 -13.740
  304    H    THR  44           HN       THR  44  23.119 -23.834 -14.612
  305    HA   THR  44           HA       THR  44  22.353 -22.422 -17.098
  306    HB   THR  44           HB       THR  44  24.593 -23.701 -17.021
  307    HG1  THR  44           HG1      THR  44  22.784 -24.612 -18.980
  308   HG21  THR  44          HG21      THR  44  23.442 -25.681 -15.847
  309   HG22  THR  44          HG22      THR  44  24.538 -26.062 -17.174
  310   HG23  THR  44          HG23      THR  44  22.795 -26.088 -17.437
  311    H    GLY  45           HN       GLY  45  21.831 -25.233 -15.034
  312    HA2  GLY  45           HA2      GLY  45  19.286 -25.758 -16.457
  313    HA3  GLY  45           HA1      GLY  45  20.233 -26.996 -15.637
  314    H    ASN  46           HN       ASN  46  20.294 -24.099 -13.937
  315    HA   ASN  46           HA       ASN  46  17.962 -24.829 -12.284
  316    HB2  ASN  46           HB2      ASN  46  20.767 -24.254 -11.314
  317    HB3  ASN  46           HB1      ASN  46  19.353 -24.307 -10.263
  318   HD21  ASN  46          HD21      ASN  46  21.444 -26.298 -12.342
  319   HD22  ASN  46          HD22      ASN  46  20.912 -27.788 -11.728
  320    H    GLY  47           HN       GLY  47  20.507 -22.387 -12.807
  321    HA2  GLY  47           HA2      GLY  47  19.195 -20.229 -11.581
  322    HA3  GLY  47           HA1      GLY  47  20.427 -20.087 -12.833
  323    H    LEU  48           HN       LEU  48  19.287 -21.180 -15.022
  324    HA   LEU  48           HA       LEU  48  17.737 -19.187 -16.119
  325    HB2  LEU  48           HB2      LEU  48  18.853 -21.037 -17.384
  326    HB3  LEU  48           HB1      LEU  48  17.572 -22.120 -16.849
  327    HG   LEU  48           HG       LEU  48  15.892 -20.622 -17.924
  328   HD11  LEU  48          HD11      LEU  48  16.735 -18.484 -18.120
  329   HD12  LEU  48          HD12      LEU  48  17.133 -19.084 -19.729
  330   HD13  LEU  48          HD13      LEU  48  18.369 -19.044 -18.472
  331   HD21  LEU  48          HD21      LEU  48  18.139 -21.716 -19.633
  332   HD22  LEU  48          HD22      LEU  48  16.609 -21.148 -20.301
  333   HD23  LEU  48          HD23      LEU  48  16.633 -22.523 -19.196
  334    H    VAL  49           HN       VAL  49  16.564 -22.273 -14.762
  335    HA   VAL  49           HA       VAL  49  13.820 -21.754 -15.092
  336    HB   VAL  49           HB       VAL  49  15.396 -23.548 -13.268
  337   HG11  VAL  49          HG11      VAL  49  13.596 -23.086 -11.831
  338   HG12  VAL  49          HG12      VAL  49  13.019 -24.489 -12.731
  339   HG13  VAL  49          HG13      VAL  49  12.463 -22.874 -13.166
  340   HG21  VAL  49          HG21      VAL  49  14.995 -24.034 -15.730
  341   HG22  VAL  49          HG22      VAL  49  13.275 -24.149 -15.348
  342   HG23  VAL  49          HG23      VAL  49  14.418 -25.281 -14.623
  343    H    LEU  50           HN       LEU  50  15.558 -21.745 -11.975
  344    HA   LEU  50           HA       LEU  50  13.662 -20.427 -10.467
  345    HB2  LEU  50           HB2      LEU  50  16.667 -20.123 -10.235
  346    HB3  LEU  50           HB1      LEU  50  15.492 -19.788  -8.965
  347    HG   LEU  50           HG       LEU  50  15.907 -22.489 -10.284
  348   HD11  LEU  50          HD11      LEU  50  17.596 -22.767  -8.826
  349   HD12  LEU  50          HD12      LEU  50  16.457 -22.532  -7.502
  350   HD13  LEU  50          HD13      LEU  50  17.328 -21.151  -8.170
  351   HD21  LEU  50          HD21      LEU  50  14.554 -23.069  -8.072
  352   HD22  LEU  50          HD22      LEU  50  13.709 -22.582  -9.540
  353   HD23  LEU  50          HD23      LEU  50  13.984 -21.410  -8.251
  354    H    TRP  51           HN       TRP  51  15.696 -19.159 -12.948
  355    HA   TRP  51           HA       TRP  51  15.379 -16.387 -12.130
  356    HB2  TRP  51           HB2      TRP  51  17.446 -16.982 -13.228
  357    HB3  TRP  51           HB1      TRP  51  16.573 -17.664 -14.601
  358    HD1  TRP  51           HD1      TRP  51  17.608 -14.364 -13.032
  359    HE1  TRP  51           HE1      TRP  51  17.142 -12.456 -14.702
  360    HE3  TRP  51           HE3      TRP  51  15.023 -16.931 -16.610
  361    HZ2  TRP  51           HZ2      TRP  51  15.845 -12.069 -17.221
  362    HZ3  TRP  51           HZ3      TRP  51  14.185 -15.770 -18.632
  363    HH2  TRP  51           HH2      TRP  51  14.592 -13.344 -18.941
  364    H    THR  52           HN       THR  52  14.172 -18.533 -14.691
  365    HA   THR  52           HA       THR  52  12.568 -16.565 -15.976
  366    HB   THR  52           HB       THR  52  12.527 -19.584 -15.994
  367    HG1  THR  52           HG1      THR  52  13.150 -17.677 -17.994
  368   HG21  THR  52          HG21      THR  52  10.300 -19.158 -16.520
  369   HG22  THR  52          HG22      THR  52  11.052 -19.067 -18.113
  370   HG23  THR  52          HG23      THR  52  10.664 -17.588 -17.235
  371    H    VAL  53           HN       VAL  53  11.891 -19.041 -13.525
  372    HA   VAL  53           HA       VAL  53   9.111 -18.575 -13.348
  373    HB   VAL  53           HB       VAL  53  11.104 -19.733 -11.395
  374   HG11  VAL  53          HG11      VAL  53   8.122 -19.319 -11.174
  375   HG12  VAL  53          HG12      VAL  53   9.371 -18.939  -9.989
  376   HG13  VAL  53          HG13      VAL  53   8.936 -20.619 -10.304
  377   HG21  VAL  53          HG21      VAL  53  10.364 -21.819 -12.173
  378   HG22  VAL  53          HG22      VAL  53  10.370 -20.853 -13.647
  379   HG23  VAL  53          HG23      VAL  53   8.854 -21.157 -12.799
  380    H    PHE  54           HN       PHE  54  11.815 -17.403 -11.342
  381    HA   PHE  54           HA       PHE  54  10.437 -15.870  -9.514
  382    HB2  PHE  54           HB2      PHE  54  13.140 -15.693 -10.754
  383    HB3  PHE  54           HB1      PHE  54  12.565 -14.291  -9.851
  384    HD1  PHE  54           HD1      PHE  54  11.986 -17.956  -9.336
  385    HD2  PHE  54           HD2      PHE  54  13.636 -14.316  -7.764
  386    HE1  PHE  54           HE1      PHE  54  12.507 -19.112  -7.205
  387    HE2  PHE  54           HE2      PHE  54  14.158 -15.472  -5.633
  388    HZ   PHE  54           HZ       PHE  54  13.592 -17.870  -5.354
  389    H    ARG  55           HN       ARG  55  10.516 -15.476 -12.876
  390    HA   ARG  55           HA       ARG  55   9.745 -12.635 -12.710
  391    HB2  ARG  55           HB2      ARG  55  10.899 -14.367 -14.847
  392    HB3  ARG  55           HB1      ARG  55   9.863 -13.026 -15.336
  393    HG2  ARG  55           HG2      ARG  55  11.307 -11.416 -14.483
  394    HG3  ARG  55           HG1      ARG  55  12.013 -12.527 -13.309
  395    HD2  ARG  55           HD2      ARG  55  13.340 -11.831 -15.507
  396    HD3  ARG  55           HD1      ARG  55  13.459 -13.461 -14.847
  397    HE   ARG  55           HE       ARG  55  12.279 -14.244 -16.696
  398   HH11  ARG  55          HH21      ARG  55  12.071 -10.799 -16.428
  399   HH12  ARG  55          HH22      ARG  55  11.320 -10.586 -17.973
  400   HH21  ARG  55          HH11      ARG  55  11.293 -13.972 -18.724
  401   HH22  ARG  55          HH12      ARG  55  10.879 -12.382 -19.274
  402    H    LYS  56           HN       LYS  56   8.512 -15.811 -13.291
  403    HA   LYS  56           HA       LYS  56   6.055 -14.773 -14.503
  404    HB2  LYS  56           HB2      LYS  56   5.706 -16.861 -15.339
  405    HB3  LYS  56           HB1      LYS  56   7.439 -17.018 -15.063
  406    HG2  LYS  56           HG2      LYS  56   6.851 -17.901 -12.732
  407    HG3  LYS  56           HG1      LYS  56   5.183 -18.008 -13.294
  408    HD2  LYS  56           HD2      LYS  56   7.453 -19.305 -14.818
  409    HD3  LYS  56           HD1      LYS  56   6.615 -20.132 -13.507
  410    HE2  LYS  56           HE2      LYS  56   4.447 -19.710 -14.703
  411    HE3  LYS  56           HE1      LYS  56   5.373 -19.056 -16.055
  412    HZ1  LYS  56           HZ1      LYS  56   5.164 -21.232 -16.669
  413    HZ2  LYS  56           HZ2      LYS  56   5.209 -21.817 -15.074
  414    HZ3  LYS  56           HZ3      LYS  56   6.638 -21.301 -15.833
  415    H    LYS  57           HN       LYS  57   7.284 -16.052 -11.505
  416    HA   LYS  57           HA       LYS  57   4.572 -16.121 -10.361
  417    HB2  LYS  57           HB2      LYS  57   6.391 -18.005 -10.104
  418    HB3  LYS  57           HB1      LYS  57   7.022 -16.941  -8.848
  419    HG2  LYS  57           HG2      LYS  57   4.451 -16.867  -8.133
  420    HG3  LYS  57           HG1      LYS  57   4.436 -18.433  -8.945
  421    HD2  LYS  57           HD2      LYS  57   6.556 -18.945  -7.538
  422    HD3  LYS  57           HD1      LYS  57   6.052 -17.575  -6.548
  423    HE2  LYS  57           HE2      LYS  57   5.049 -19.459  -5.511
  424    HE3  LYS  57           HE1      LYS  57   3.748 -18.721  -6.445
  425    HZ1  LYS  57           HZ1      LYS  57   5.313 -20.624  -7.930
  426    HZ2  LYS  57           HZ2      LYS  57   3.626 -20.472  -7.797
  427    HZ3  LYS  57           HZ3      LYS  57   4.504 -21.308  -6.606
  428    H    GLY  58           HN       GLY  58   7.290 -14.131 -10.608
  429    HA2  GLY  58           HA2      GLY  58   7.000 -12.836  -8.024
  430    HA3  GLY  58           HA1      GLY  58   8.105 -12.369  -9.311
  431    H    HIS  59           HN       HIS  59   6.048 -12.289 -11.367
  432    HA   HIS  59           HA       HIS  59   5.290  -9.597 -11.211
  433    HB2  HIS  59           HB2      HIS  59   4.703  -9.961 -13.344
  434    HB3  HIS  59           HB1      HIS  59   5.123 -11.658 -13.110
  435    HD2  HIS  59           HD2      HIS  59   2.807 -13.247 -12.115
  436    HE1  HIS  59           HE1      HIS  59   0.007 -10.568 -13.791
  437    HE2  HIS  59           HE2      HIS  59   0.308 -12.878 -12.777
  438    H    HIS  60           HN       HIS  60   4.040 -12.245  -9.554
  439    HA   HIS  60           HA       HIS  60   1.734 -10.656  -8.682
  440    HB2  HIS  60           HB2      HIS  60   0.836 -12.102 -10.440
  441    HB3  HIS  60           HB1      HIS  60   1.530 -13.518  -9.650
  442    HD2  HIS  60           HD2      HIS  60  -0.253 -10.828  -7.422
  443    HE1  HIS  60           HE1      HIS  60  -2.719 -14.251  -7.555
  444    HE2  HIS  60           HE2      HIS  60  -2.388 -11.983  -6.462
  445    H    HIS  61           HN       HIS  61   2.752 -10.372  -6.694
  446    HA   HIS  61           HA       HIS  61   3.426 -12.786  -5.155
  447    HB2  HIS  61           HB2      HIS  61   5.127 -11.035  -5.193
  448    HB3  HIS  61           HB1      HIS  61   3.957  -9.859  -4.592
  449    HD2  HIS  61           HD2      HIS  61   3.721  -9.812  -1.822
  450    HE1  HIS  61           HE1      HIS  61   5.854 -13.365  -1.014
  451    HE2  HIS  61           HE2      HIS  61   4.711 -11.356   0.037
  452    H    HIS  62           HN       HIS  62   0.813 -12.798  -5.435
  453    HA   HIS  62           HA       HIS  62  -1.185 -12.822  -4.303
  454    HB2  HIS  62           HB2      HIS  62   0.396 -12.157  -1.821
  455    HB3  HIS  62           HB1      HIS  62  -1.111 -13.065  -1.943
  456    HD2  HIS  62           HD2      HIS  62  -0.402 -15.685  -1.430
  457    HE1  HIS  62           HE1      HIS  62   3.110 -15.825  -3.768
  458    HE2  HIS  62           HE2      HIS  62   1.545 -17.188  -2.306
  459    H    HIS  63           HN       HIS  63  -2.606 -11.243  -4.616
  460    HA   HIS  63           HA       HIS  63  -3.543  -9.143  -4.719
  461    HB2  HIS  63           HB2      HIS  63  -3.386  -9.843  -2.161
  462    HB3  HIS  63           HB1      HIS  63  -2.290  -8.462  -2.099
  463    HD2  HIS  63           HD2      HIS  63  -3.652  -6.101  -3.555
  464    HE1  HIS  63           HE1      HIS  63  -7.385  -7.288  -1.977
  465    HE2  HIS  63           HE2      HIS  63  -6.120  -5.386  -3.088
  466    H    HIS  64           HN       HIS  64  -1.069  -9.342  -6.022
  467    HA   HIS  64           HA       HIS  64   0.752  -8.120  -6.746
  468    HB2  HIS  64           HB2      HIS  64  -1.530  -6.835  -7.331
  469    HB3  HIS  64           HB1      HIS  64  -0.770  -5.604  -6.321
  470    HD2  HIS  64           HD2      HIS  64   1.622  -4.483  -7.407
  471    HE1  HIS  64           HE1      HIS  64   1.335  -6.424 -11.145
  472    HE2  HIS  64           HE2      HIS  64   2.563  -4.627  -9.838