*HEADER    ANTITUMOR PROTEIN                       05-SEP-07   2JUY              
*TITLE     NMR ENSEMBLE OF NEOPETROSIAMIDE A                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEOPETROSIAMIDE A;                                         
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NEOPETROSIA SP.                                 
*KEYWDS    AMPHIPATHIC, ANTITUMOR PROTEIN                                        
*EXPDTA    NMR, 24 STRUCTURES                                                    
*AUTHOR    P.AUSTIN, D.E.WILLIAMS, M.HELLER, L.P.MCINTOSH,                       
*AUTHOR   2 R.J.ANDERSEN, M.ROBERGE, C.D.ROSKELLEY                               
*REVDAT   1   26-AUG-08 2JUY    0                                                


! Dihedral restraints for phi from 3J(HN,HA)
! 3J(HNHA) > 8 Hz ==> phi = -120 +/- 30
! 3J(HNHA) < 6 Hz ==> phi =  -60 +/- 30
 
! these 2 lines taken from $ARIAHOME/example/werner/phi_karplus.tbl
!
! mh2/07/31/2007

!F2 (5.28 Hz)
assign (resid    1 and name C ) (resid    2 and name N )
       (resid    2 and name CA) (resid    2 and name C )    1.0    -60.0   30.0   2
 
!C3 (9.68 Hz)
assign (resid    2 and name C ) (resid    3 and name N )
       (resid    3 and name CA) (resid    3 and name C )    1.0   -120.0   30.0   2
 
!F5 (9.69 Hz) 
assign (resid    4 and name C ) (resid    5 and name N )
       (resid    5 and name CA) (resid    5 and name C )    1.0   -120.0   30.0   2
 
!G6 (stereospecificity)
!assign (resid    5 and name C ) (resid    6 and name N )
!       (resid    6 and name CA) (resid    6 and name C )    
 
!C7 (4.33 Hz)
assign (resid    6 and name C ) (resid    7 and name N )
       (resid    7 and name CA) (resid    7 and name C )    1.0    -60.0   30.0   2
 
!V10 (8.69 Hz)
assign (resid    9 and name C ) (resid   10 and name N )
       (resid   10 and name CA) (resid   10 and name C )    1.0   -120.0   30.0   2
 
!D11 (9.71 Hz)
assign (resid   10 and name C ) (resid   11 and name N )
       (resid   11 and name CA) (resid   11 and name C )    1.0   -120.0   30.0   2
 
!C12 (7.68 Hz)
!assign (resid   11 and name C ) (resid   12 and name N )
!       (resid   12 and name CA) (resid   12 and name C )    
 
!G13 (sterospecificity)
!assign (resid   12 and name C ) (resid   13 and name N )
!       (resid   13 and name CA) (resid   13 and name C )    
 
!N15 (8.28 Hz)
assign (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )    1.0   -120.0   30.0   2
 
!R16 (9.45 Hz)
assign (resid   15 and name C ) (resid   16 and name N )
       (resid   16 and name CA) (resid   16 and name C )    1.0   -120.0   30.0   2

!C18 (7.69 Hz)
!assign (resid   17 and name C ) (resid   18 and name N )
!       (resid   18 and name CA) (resid   18 and name C )    

!R19 (9.52 Hz)
assign (resid   18 and name C ) (resid   19 and name N )
       (resid   19 and name CA) (resid   19 and name C )    1.0   -120.0   30.0   2

!D20 (8.30 Hz)
assign (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )    1.0   -120.0   30.0   2

!T21 (8.98 Hz)
assign (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )    1.0   -120.0   30.0   2

!G22 (stereospecificity)
!assign (resid   21 and name C ) (resid   22 and name N )
!       (resid   22 and name CA) (resid   22 and name C )    

!F23 (5.79 Hz)
assign (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )    1.0    -60.0   30.0   2

!S25 (10.13 Hz)
!value above theoretical maximum
assign (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )    1.0   -120.0   30.0   2

!C26 (9.51 Hz)
assign (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )    1.0   -120.0   30.0   2

!D27 (8.43 Hz)
assign (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )    1.0   -120.0   30.0   2

!C28 (8.89 Hz)
assign (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )    1.0   -120.0   30.0   2


 ASSI {    4}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      3.800     1.800     1.800
 ASSI {    5}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.000     0.500     0.500
 ASSI {    9}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 1    and name HA  ))
      2.200     0.600     0.600
 OR {    9}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI {   11}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      2.400     0.700     0.700
 OR {   11}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {   14}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.500     0.800     0.800
 ASSI {   15}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      2.800     1.000     1.000
 ASSI {   21}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HA  ))
      2.400     0.700     0.700
 OR {   21}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI {   23}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      2.100     0.600     0.600
 OR {   23}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {   24}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      3.500     1.500     1.500
 OR {   24}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {   28}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      1.900     1.900     4.100
 ASSI {   29}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      4.000     2.000     2.000
 ASSI {   30}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     2.900     3.100
 ASSI {   31}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.200     3.200     2.800
 ASSI {   32}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600
 OR {   32}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {   34}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      3.000     1.100     1.100
 OR {   34}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {   35}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      4.000     2.000     2.000
 OR {   35}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {   36}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     2.500     3.500
 OR {   36}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {   41}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500
 OR {   41}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {   43}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.400     1.400
 OR {   43}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {   44}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.700     1.700     1.700
 ASSI {   45}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.400     1.400
 ASSI {   48}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HD3 ))
      3.600     1.600     1.600
 OR {   48}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {   48}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {   48}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HD3 ))
 ASSI {   49}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG2 ))
      2.400     0.700     0.700
 OR {   49}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HG3 ))
 OR {   49}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HG3 ))
 ASSI {   50}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100
 OR {   50}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {   54}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HZ  ))
      2.700     0.900     0.900
 OR {   54}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HZ  ))
 ASSI {   57}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 3    and name HB3 ))
      3.800     1.800     1.800
 OR {   57}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {   57}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {   58}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 3    and name HN  ))
      3.700     1.700     1.700
 ASSI {   61}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 3    and name HA  ))
      2.000     0.500     0.500
 OR {   61}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {   63}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.500     0.800     0.800
 OR {   63}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {   65}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 3    and name HA  ))
      4.000     2.000     2.000
 OR {   65}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {   68}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HD2 ))
      2.200     0.600     0.600
 OR {   68}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {   68}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HD2 ))
 ASSI {   69}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.900     0.900
 OR {   69}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {   70}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 5    and name HZ  ))
      3.100     1.200     1.200
 OR {   70}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 5    and name HZ  ))
 ASSI {   72}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.900     0.900
 ASSI {   73}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000
 ASSI {   77}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800
 OR {   77}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {   78}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700
 OR {   78}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {   89}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     0.700     0.700
 OR {   89}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI {   90}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 7    and name HN  ))
      2.200     0.600     0.600
 OR {   90}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {   91}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.100     0.500     0.500
 ASSI {   92}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.300     1.400     1.400
 ASSI {   93}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.500     0.800     0.800
 ASSI {   94}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.900     0.900
 ASSI {   95}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 6    and name HA2 ))
      4.000     2.000     2.000
 OR {   95}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 6    and name HA2 ))
 OR {   95}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 6    and name HA1 ))
 OR {   95}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 6    and name HA1 ))
 ASSI {   98}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.100     0.600     0.600
 OR {   98}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {   99}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200
 OR {   99}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  101}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800
 OR {  101}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  104}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900
 ASSI {  105}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700
 ASSI {  106}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      3.900     1.900     1.900
 ASSI {  107}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.000     1.000
 ASSI {  114}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     0.700     0.700
 ASSI {  115}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000
 ASSI {  116}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900
 ASSI {  118}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900
 OR {  118}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  119}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800
 OR {  119}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  122}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      2.400     0.700     0.700
 OR {  122}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 9    and name HB3 ))
 OR {  122}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HB3 ))
 ASSI {  127}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.600     0.600
 OR {  127}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  128}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.400     1.400
 OR {  128}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  129}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400
 OR {  129}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI {  130}
   (( segid "    " and resid 9    and name HG  ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900
 ASSI {  131}
   (( segid "    " and resid 9    and name HG  ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     3.000     3.000
 ASSI {  132}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700
 ASSI {  134}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      3.800     1.800     1.800
 ASSI {  135}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800
 ASSI {  136}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700
 ASSI {  137}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.000     2.000     4.000
 ASSI {  138}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      2.300     0.700     0.700
 ASSI {  139}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.600     1.600     1.600
 OR {  139}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  140}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900
 ASSI {  141}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      2.200     0.600     0.600
 ASSI {  142}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.300     1.400     1.400
 OR {  142}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {  143}
   (( segid "    " and resid 10   and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100
 ASSI {  157}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 1    and name HZ  ))
      2.800     0.900     0.900
 ASSI {  159}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 3    and name HB3 ))
      2.400     0.700     0.700
 OR {  159}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 3    and name HB3 ))
 OR {  159}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 3    and name HB2 ))
 OR {  159}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {  160}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.300     0.700     0.700
 ASSI {  162}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300
 OR {  162}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 9    and name HB3 ))
 ASSI {  163}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.300     1.300
 ASSI {  164}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 10   and name HA  ))
      2.100     0.600     0.600
 OR {  164}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  165}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 10   and name HB  ))
      2.000     0.500     0.500
 OR {  165}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 10   and name HB  ))
 ASSI {  166}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      2.000     0.500     0.500
 ASSI {  167}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200
 OR {  167}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 11   and name HB3 ))
 ASSI {  168}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      2.800     1.000     1.000
 ASSI {  169}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 26   and name HB3 ))
      3.300     1.400     1.400
 OR {  169}
   (  segid "    " and resid 10   and name HG1%)
   (( segid "    " and resid 26   and name HB2 ))
 OR {  169}
   (  segid "    " and resid 10   and name HG2%)
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  170}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200
 ASSI {  171}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900
 ASSI {  172}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.200     0.600     0.600
 ASSI {  173}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     3.300     2.700
 ASSI {  174}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.800     0.800
 OR {  174}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  178}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.500     2.500     3.500
 OR {  178}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 7    and name HB3 ))
 OR {  178}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 7    and name HB2 ))
 OR {  178}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  179}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800
 OR {  179}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  180}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.800     1.800
 OR {  180}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  182}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HB3 ))
      3.000     1.100     1.100
 OR {  182}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  182}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  183}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.400     1.400
 OR {  183}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  184}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800
 OR {  184}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  185}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     3.300     2.700
 OR {  185}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  186}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300
 ASSI {  187}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000
 ASSI {  188}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.000     1.000
 ASSI {  193}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000
 OR {  193}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  194}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900
 OR {  194}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  195}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400
 OR {  195}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  198}
   (( segid "    " and resid 13   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.000     1.000
 OR {  198}
   (( segid "    " and resid 13   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  199}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700
 ASSI {  200}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.600     1.600
 ASSI {  201}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.100     0.600     0.600
 ASSI {  202}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.500     1.500
 ASSI {  203}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 4    and name HD2 ))
      2.800     2.800     3.200
 OR {  203}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 4    and name HD3 ))
 OR {  203}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 4    and name HD2 ))
 ASSI {  206}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG3 ))
      2.400     0.700     0.700
 OR {  206}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
 OR {  206}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HG3 ))
 ASSI {  207}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400
 OR {  207}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  208}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600
 OR {  208}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  214}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 13   and name HA1 ))
      2.800     1.000     1.000
 OR {  214}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 13   and name HA2 ))
 OR {  214}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 13   and name HA2 ))
 ASSI {  215}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 14   and name HA  ))
      3.700     1.700     1.700
 OR {  215}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  216}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400
 OR {  216}
   (( segid "    " and resid 14   and name HD3 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  217}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.300     1.300
 OR {  217}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  218}
   (( segid "    " and resid 14   and name HG3 ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300
 OR {  218}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  219}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.200     2.200     3.800
 ASSI {  220}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000
 ASSI {  226}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100
 OR {  226}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  227}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.100     1.100
 OR {  227}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  228}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600
 OR {  228}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  230}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.900     0.900
 ASSI {  231}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
      2.300     0.600     0.600
 OR {  231}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
 ASSI {  233}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.900     2.900     3.100
 OR {  233}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 11   and name HB3 ))
 OR {  233}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  234}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.200     1.300     1.300
 OR {  234}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  234}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  235}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800
 OR {  235}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  237}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD3 ))
      3.200     1.300     1.300
 OR {  237}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  237}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  238}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.100     1.100
 OR {  238}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  249}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100
 OR {  249}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  250}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.400     0.700     0.700
 OR {  250}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  250}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  250}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  252}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200
 OR {  252}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  253}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.100     0.600     0.600
 ASSI {  254}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700
 ASSI {  256}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      1.900     0.500     0.500
 ASSI {  259}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.400     0.700     0.700
 OR {  259}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  259}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  260}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.200     1.300     1.300
 OR {  260}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  261}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.300     0.600     0.600
 OR {  261}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  266}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900
 OR {  266}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  267}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
      4.200     2.200     1.800
 OR {  267}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  268}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200
 OR {  268}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  269}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900
 ASSI {  270}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.000     0.500     0.500
 ASSI {  271}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.700     1.700     1.700
 ASSI {  272}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.800     0.800
 ASSI {  279}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.800     1.800     1.800
 ASSI {  280}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      4.000     2.000     2.000
 ASSI {  281}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900
 ASSI {  282}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.800     1.800     1.800
 ASSI {  283}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      1.900     0.500     0.500
 ASSI {  284}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      4.300     2.300     1.700
 OR {  284}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  285}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700
 OR {  285}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  286}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HD3 ))
      3.000     1.100     1.100
 OR {  286}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HD2 ))
 OR {  286}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HD2 ))
 OR {  286}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HD3 ))
 ASSI {  287}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900
 OR {  287}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  288}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000
 OR {  288}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  289}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.300     1.300
 OR {  289}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  290}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     3.100     2.900
 OR {  290}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  291}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HA  ))
      3.100     1.200     1.200
 OR {  291}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  292}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.000     1.000
 OR {  292}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {  293}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.100     0.600     0.600
 OR {  293}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HB2 ))
 OR {  293}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  293}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  294}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HD3 ))
      2.800     1.000     1.000
 OR {  294}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HD3 ))
 OR {  294}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HD2 ))
 OR {  294}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HD2 ))
 ASSI {  295}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.400     1.400
 OR {  295}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  296}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.800     1.800     1.800
 OR {  296}
   (( segid "    " and resid 19   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  297}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.000     0.500     0.500
 ASSI {  298}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700
 ASSI {  300}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.300     1.300
 ASSI {  305}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.900     0.900
 OR {  305}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  306}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800
 OR {  306}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  307}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700
 OR {  307}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  308}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600
 ASSI {  309}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.900     1.900     1.900
 ASSI {  310}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700
 ASSI {  311}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000
 ASSI {  312}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800
 ASSI {  323}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.100     3.100     2.900
 ASSI {  326}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200
 OR {  326}
   (( segid "    " and resid 22   and name HA2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  327}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.100     0.600     0.600
 ASSI {  328}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800
 ASSI {  331}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700
 ASSI {  332}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.100     0.600     0.600
 ASSI {  337}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HA  ))
      2.400     0.700     0.700
 OR {  337}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  339}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.700     0.700
 OR {  339}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  340}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800
 OR {  340}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  341}
   (( segid "    " and resid 23   and name HZ  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300
 ASSI {  342}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      3.600     1.600     1.600
 ASSI {  343}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      3.800     1.800     1.800
 ASSI {  344}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.300     0.700     0.700
 ASSI {  345}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900
 ASSI {  353}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 3    and name HN  ))
      3.200     1.300     1.300
 OR {  353}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  354}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
      2.500     0.800     0.800
 OR {  354}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  355}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HG2 ))
      2.700     0.900     0.900
 OR {  355}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG1 ))
 OR {  355}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  355}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  356}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600
 OR {  356}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  365}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100
 OR {  365}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  366}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900
 OR {  366}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  368}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300
 ASSI {  369}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.800     1.000     1.000
 ASSI {  370}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900
 ASSI {  371}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.000     2.000     4.000
 ASSI {  372}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 21   and name HB  ))
      3.700     1.700     1.700
 OR {  372}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 21   and name HB  ))
 ASSI {  373}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 22   and name HA2 ))
      3.300     1.300     1.300
 OR {  373}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HA2 ))
 ASSI {  374}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100
 OR {  374}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  375}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700
 OR {  375}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  376}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800
 OR {  376}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  377}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.100     1.100
 OR {  377}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  378}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.300     1.300     1.300
 ASSI {  379}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200
 ASSI {  380}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800
 ASSI {  381}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.000     1.000
 ASSI {  382}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.700     3.700     2.300
 ASSI {  387}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     2.900     3.100
 ASSI {  390}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 1    and name HZ  ))
      3.500     3.500     2.500
 OR {  390}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 1    and name HZ  ))
 ASSI {  391}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 3    and name HB3 ))
      2.900     1.000     1.000
 OR {  391}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 3    and name HB3 ))
 OR {  391}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
 OR {  391}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 3    and name HB2 ))
 ASSI {  393}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.500     1.500     1.500
 OR {  393}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  395}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.000     1.000
 OR {  395}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  397}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     0.900     0.900
 OR {  397}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  401}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.600     1.600
 OR {  401}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI {  402}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300
 OR {  402}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  405}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900
 OR {  405}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  409}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900
 ASSI {  410}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HA  ))
      3.900     1.900     1.900
 ASSI {  411}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.200     0.600     0.600
 ASSI {  416}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900
 OR {  416}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  418}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.200     1.200
 OR {  418}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI {  419}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200
 OR {  419}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  420}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800
 ASSI {  421}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.300     1.300     1.300
 ASSI {  422}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000
 ASSI {  423}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.800     0.800
 OR {  423}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {  425}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.100     1.100
 OR {  425}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  427}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200
 OR {  427}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  428}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.600     1.600

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           H1       PHE   1  -8.109  -0.077  -2.473
    2    H2   PHE   1           H2       PHE   1  -8.947  -1.197  -1.521
    3    H3   PHE   1           H3       PHE   1  -7.270  -1.043  -1.367
    4    HA   PHE   1           HA       PHE   1  -9.248   1.060  -0.715
    5    HB2  PHE   1           HB2      PHE   1  -8.518   0.617   1.646
    6    HB3  PHE   1           HB3      PHE   1  -9.431  -0.695   0.910
    7    HD1  PHE   1           HD2      PHE   1  -6.118   0.396   2.042
    8    HD2  PHE   1           HD1      PHE   1  -8.422  -2.818   0.471
    9    HE1  PHE   1           HE2      PHE   1  -4.302  -1.168   2.593
   10    HE2  PHE   1           HE1      PHE   1  -6.610  -4.390   1.020
   11    HZ   PHE   1           HZ       PHE   1  -4.547  -3.566   2.082
   12    H    PHE   2           HN       PHE   2  -8.357   2.919   0.277
   13    HA   PHE   2           HA       PHE   2  -6.077   3.944  -0.945
   14    HB2  PHE   2           HB2      PHE   2  -6.240   5.765   0.764
   15    HB3  PHE   2           HB3      PHE   2  -7.757   5.423  -0.062
   16    HD1  PHE   2           HD1      PHE   2  -5.924   5.165   3.098
   17    HD2  PHE   2           HD2      PHE   2  -9.626   4.476   1.115
   18    HE1  PHE   2           HE1      PHE   2  -7.026   4.847   5.275
   19    HE2  PHE   2           HE2      PHE   2 -10.736   4.158   3.287
   20    HZ   PHE   2           HZ       PHE   2  -9.436   4.344   5.371
   21    H    CYS   3           HN       CYS   3  -3.975   3.689  -0.591
   22    HA   CYS   3           HA       CYS   3  -3.108   2.321   1.845
   23    HB2  CYS   3           HB2      CYS   3  -1.022   1.899   0.669
   24    HB3  CYS   3           HB3      CYS   3  -2.381   1.416  -0.340
   25    HA   PRO   4           HA       PRO   4  -1.171   5.987   3.364
   26    HB2  PRO   4           HB2      PRO   4   0.656   4.915   5.058
   27    HB3  PRO   4           HB3      PRO   4  -1.081   4.887   5.367
   28    HG2  PRO   4           HG2      PRO   4   0.716   2.696   4.602
   29    HG3  PRO   4           HG3      PRO   4  -0.872   2.627   5.376
   30    HD2  PRO   4           HD2      PRO   4  -0.216   2.184   2.618
   31    HD3  PRO   4           HD3      PRO   4  -1.811   2.107   3.390
   32    H    PHE   5           HN       PHE   5   1.566   3.713   3.166
   33    HA   PHE   5           HA       PHE   5   2.872   5.361   1.168
   34    HB2  PHE   5           HB2      PHE   5   4.970   5.206   2.846
   35    HB3  PHE   5           HB3      PHE   5   3.875   6.584   2.806
   36    HD1  PHE   5           HD2      PHE   5   4.781   3.521   4.629
   37    HD2  PHE   5           HD1      PHE   5   2.396   7.044   4.609
   38    HE1  PHE   5           HE2      PHE   5   4.229   3.157   6.999
   39    HE2  PHE   5           HE1      PHE   5   1.838   6.686   6.978
   40    HZ   PHE   5           HZ       PHE   5   2.753   4.740   8.174
   41    H    GLY   6           HN       GLY   6   1.880   2.564   1.492
   42    HA2  GLY   6           HA1      GLY   6   3.478   1.116  -0.066
   43    HA3  GLY   6           HA2      GLY   6   4.330   0.988   1.465
   44    H    CYS   7           HN       CYS   7   4.016  -1.079   2.050
   45    HA   CYS   7           HA       CYS   7   1.386  -2.294   1.776
   46    HB2  CYS   7           HB2      CYS   7   3.449  -3.548   1.167
   47    HB3  CYS   7           HB3      CYS   7   3.948  -3.490   2.850
   48    H    ALA   8           HN       ALA   8   2.298  -0.153   3.861
   49    HA   ALA   8           HA       ALA   8   2.093  -1.393   6.400
   50    HB1  ALA   8           HB1      ALA   8   3.017   0.939   5.779
   51    HB2  ALA   8           HB2      ALA   8   1.342   1.463   5.923
   52    HB3  ALA   8           HB3      ALA   8   2.161   0.740   7.307
   53    H    LEU   9           HN       LEU   9   0.365  -2.275   7.300
   54    HA   LEU   9           HA       LEU   9  -1.791  -2.816   7.776
   55    HB2  LEU   9           HB2      LEU   9  -2.139   0.123   7.194
   56    HB3  LEU   9           HB3      LEU   9  -3.408  -0.893   7.850
   57    HG   LEU   9           HG       LEU   9  -1.993  -1.343   9.831
   58   HD11  LEU   9          HD11      LEU   9  -0.041   0.206  10.176
   59   HD12  LEU   9          HD12      LEU   9   0.206  -1.079   8.994
   60   HD13  LEU   9          HD13      LEU   9  -0.124   0.567   8.452
   61   HD21  LEU   9          HD21      LEU   9  -2.233   0.870  10.840
   62   HD22  LEU   9          HD22      LEU   9  -2.465   1.576   9.241
   63   HD23  LEU   9          HD23      LEU   9  -3.652   0.440   9.885
   64    H    VAL  10           HN       VAL  10  -0.799  -2.941   4.962
   65    HA   VAL  10           HA       VAL  10  -3.320  -2.631   3.493
   66    HB   VAL  10           HB       VAL  10  -0.542  -3.156   2.424
   67   HG11  VAL  10          HG11      VAL  10  -1.480  -2.727   0.234
   68   HG12  VAL  10          HG12      VAL  10  -2.338  -4.061   1.003
   69   HG13  VAL  10          HG13      VAL  10  -3.073  -2.459   0.941
   70   HG21  VAL  10          HG21      VAL  10  -0.612  -0.952   3.323
   71   HG22  VAL  10          HG22      VAL  10  -0.761  -0.810   1.572
   72   HG23  VAL  10          HG23      VAL  10  -2.187  -0.640   2.595
   73    H    ASP  11           HN       ASP  11  -0.633  -4.951   3.149
   74    HA   ASP  11           HA       ASP  11  -2.422  -7.156   3.717
   75    HB2  ASP  11           HB2      ASP  11  -2.761  -6.672   1.296
   76    HB3  ASP  11           HB3      ASP  11  -1.044  -6.962   1.031
   77    H    CYS  12           HN       CYS  12  -0.038  -6.065   4.911
   78    HA   CYS  12           HA       CYS  12   1.321  -8.390   5.573
   79    HB2  CYS  12           HB2      CYS  12   3.307  -8.427   4.341
   80    HB3  CYS  12           HB3      CYS  12   2.090  -8.076   3.124
   81    H    GLY  13           HN       GLY  13   1.630  -4.916   5.085
   82    HA2  GLY  13           HA1      GLY  13   1.800  -3.618   7.201
   83    HA3  GLY  13           HA2      GLY  13   3.059  -4.753   7.668
   84    HA   PRO  14           HA       PRO  14   4.853  -1.028   5.357
   85    HB2  PRO  14           HB2      PRO  14   6.151   0.163   7.401
   86    HB3  PRO  14           HB3      PRO  14   4.456   0.506   7.034
   87    HG2  PRO  14           HG2      PRO  14   5.610  -1.336   9.099
   88    HG3  PRO  14           HG3      PRO  14   4.295  -0.157   9.268
   89    HD2  PRO  14           HD2      PRO  14   3.838  -2.801   8.914
   90    HD3  PRO  14           HD3      PRO  14   2.747  -1.553   8.277
   91    H    ASN  15           HN       ASN  15   5.882  -3.260   4.773
   92    HA   ASN  15           HA       ASN  15   8.712  -3.052   5.443
   93    HB2  ASN  15           HB2      ASN  15   7.871  -4.704   7.028
   94    HB3  ASN  15           HB3      ASN  15   7.127  -5.615   5.719
   95   HD21  ASN  15          HD21      ASN  15  10.299  -4.101   5.603
   96   HD22  ASN  15          HD22      ASN  15  11.198  -5.572   5.506
   97    H    ARG  16           HN       ARG  16   6.337  -4.949   3.574
   98    HA   ARG  16           HA       ARG  16   8.272  -5.291   1.428
   99    HB2  ARG  16           HB2      ARG  16   5.417  -6.270   1.628
  100    HB3  ARG  16           HB3      ARG  16   6.589  -6.744   0.407
  101    HG2  ARG  16           HG2      ARG  16   6.840  -7.284   3.358
  102    HG3  ARG  16           HG3      ARG  16   6.304  -8.446   2.144
  103    HD2  ARG  16           HD2      ARG  16   8.470  -8.234   1.006
  104    HD3  ARG  16           HD3      ARG  16   9.002  -7.100   2.247
  105    HE   ARG  16           HE       ARG  16   8.298  -9.283   3.674
  106   HH11  ARG  16          HH12      ARG  16  10.381  -8.817   0.913
  107   HH12  ARG  16          HH11      ARG  16  11.432 -10.128   1.328
  108   HH21  ARG  16          HH22      ARG  16   9.680 -11.008   4.221
  109   HH22  ARG  16          HH21      ARG  16  11.035 -11.373   3.206
  110    HA   PRO  17           HA       PRO  17   6.599  -1.908  -0.896
  111    HB2  PRO  17           HB2      PRO  17   7.784  -2.350  -3.257
  112    HB3  PRO  17           HB3      PRO  17   8.717  -1.872  -1.833
  113    HG2  PRO  17           HG2      PRO  17   8.367  -4.582  -3.047
  114    HG3  PRO  17           HG3      PRO  17   9.830  -3.832  -2.383
  115    HD2  PRO  17           HD2      PRO  17   8.249  -5.638  -1.026
  116    HD3  PRO  17           HD3      PRO  17   9.313  -4.452  -0.245
  117    H    CYS  18           HN       CYS  18   5.124  -1.421  -2.580
  118    HA   CYS  18           HA       CYS  18   3.828  -3.715  -3.876
  119    HB2  CYS  18           HB2      CYS  18   2.363  -1.477  -2.461
  120    HB3  CYS  18           HB3      CYS  18   1.613  -2.789  -3.367
  121    H    ARG  19           HN       ARG  19   2.162  -2.861  -5.539
  122    HA   ARG  19           HA       ARG  19   3.593  -0.966  -7.218
  123    HB2  ARG  19           HB2      ARG  19   1.158  -2.658  -7.804
  124    HB3  ARG  19           HB3      ARG  19   2.032  -1.687  -8.980
  125    HG2  ARG  19           HG2      ARG  19   3.147  -4.035  -7.461
  126    HG3  ARG  19           HG3      ARG  19   2.627  -4.040  -9.147
  127    HD2  ARG  19           HD2      ARG  19   4.338  -2.371  -9.675
  128    HD3  ARG  19           HD3      ARG  19   4.854  -2.365  -7.989
  129    HE   ARG  19           HE       ARG  19   5.007  -4.989  -8.861
  130   HH11  ARG  19          HH12      ARG  19   6.478  -1.927  -9.658
  131   HH12  ARG  19          HH11      ARG  19   7.966  -2.638 -10.188
  132   HH21  ARG  19          HH22      ARG  19   6.963  -5.926  -9.558
  133   HH22  ARG  19          HH21      ARG  19   8.241  -4.909 -10.132
  134    H    ASP  20           HN       ASP  20   3.190   1.071  -6.496
  135    HA   ASP  20           HA       ASP  20   0.378   1.895  -6.240
  136    HB2  ASP  20           HB2      ASP  20   1.238   3.831  -4.980
  137    HB3  ASP  20           HB3      ASP  20   1.729   2.309  -4.245
  138    H    THR  21           HN       THR  21  -0.364   2.671  -8.109
  139    HA   THR  21           HA       THR  21   1.422   4.320  -9.765
  140    HB   THR  21           HB       THR  21  -1.177   2.991 -10.562
  141    HG1  THR  21           HG1      THR  21   1.545   2.235 -10.873
  142   HG21  THR  21          HG21      THR  21  -0.487   3.534 -12.848
  143   HG22  THR  21          HG22      THR  21   0.944   4.357 -12.226
  144   HG23  THR  21          HG23      THR  21  -0.663   4.994 -11.877
  145    H    GLY  22           HN       GLY  22  -1.529   4.351  -7.926
  146    HA2  GLY  22           HA1      GLY  22  -1.895   7.184  -8.686
  147    HA3  GLY  22           HA2      GLY  22  -3.261   6.098  -8.479
  148    H    PHE  23           HN       PHE  23  -2.733   8.582  -7.099
  149    HA   PHE  23           HA       PHE  23  -1.672   8.398  -4.566
  150    HB2  PHE  23           HB2      PHE  23  -4.287   9.797  -4.736
  151    HB3  PHE  23           HB3      PHE  23  -2.743  10.367  -4.108
  152    HD1  PHE  23           HD1      PHE  23  -0.976  11.114  -5.707
  153    HD2  PHE  23           HD2      PHE  23  -4.963  10.266  -6.928
  154    HE1  PHE  23           HE1      PHE  23  -0.591  12.336  -7.808
  155    HE2  PHE  23           HE2      PHE  23  -4.585  11.489  -9.028
  156    HZ   PHE  23           HZ       PHE  23  -2.396  12.511  -9.466
  157    H    SME  24           HN       SME  24  -1.995   6.976  -2.995
  158    HA   SME  24           HA       SME  24  -2.992   5.536  -1.543
  159    HB2  SME  24           HB2      SME  24  -5.465   7.106  -2.293
  160    HB3  SME  24           HB1      SME  24  -5.376   5.950  -0.972
  161    HG2  SME  24           HG2      SME  24  -3.665   7.324   0.108
  162    HG3  SME  24           HG1      SME  24  -3.779   8.489  -1.210
  163    HE1  SME  24           HE1      SME  24  -4.210   9.235   1.991
  164    HE2  SME  24           HE2      SME  24  -5.554  10.363   1.816
  165    HE3  SME  24           HE3      SME  24  -4.207  10.413   0.678
  166    H    SER  25           HN       SER  25  -2.433   4.320  -3.781
  167    HA   SER  25           HA       SER  25  -4.619   2.449  -4.130
  168    HB2  SER  25           HB2      SER  25  -3.401   3.900  -6.496
  169    HB3  SER  25           HB3      SER  25  -4.527   2.547  -6.597
  170    HG   SER  25           HG       SER  25  -5.233   4.972  -6.603
  171    H    CYS  26           HN       CYS  26  -2.669   1.634  -2.767
  172    HA   CYS  26           HA       CYS  26  -0.465   0.660  -4.392
  173    HB2  CYS  26           HB2      CYS  26  -1.029   0.348  -1.439
  174    HB3  CYS  26           HB3      CYS  26   0.452  -0.147  -2.251
  175    H    ASP  27           HN       ASP  27  -0.668  -1.166  -5.477
  176    HA   ASP  27           HA       ASP  27  -2.482  -3.245  -4.466
  177    HB2  ASP  27           HB2      ASP  27  -1.295  -2.876  -7.226
  178    HB3  ASP  27           HB3      ASP  27  -2.409  -4.158  -6.760
  179    H    CYS  28           HN       CYS  28  -1.506  -4.756  -3.301
  180    HA   CYS  28           HA       CYS  28   1.284  -5.442  -3.886
  181    HB2  CYS  28           HB2      CYS  28  -0.296  -6.379  -1.499
  182    HB3  CYS  28           HB3      CYS  28   1.451  -6.266  -1.678
  Start of MODEL    2
    1    H1   PHE   1           H1       PHE   1  -8.878  -0.489  -1.717
    2    H2   PHE   1           H2       PHE   1  -9.743  -1.142  -0.418
    3    H3   PHE   1           H3       PHE   1  -8.052  -1.195  -0.421
    4    HA   PHE   1           HA       PHE   1  -9.698   1.262  -0.311
    5    HB2  PHE   1           HB2      PHE   1  -8.757   1.441   2.008
    6    HB3  PHE   1           HB3      PHE   1  -9.875   0.100   1.783
    7    HD1  PHE   1           HD1      PHE   1  -6.377   1.046   2.308
    8    HD2  PHE   1           HD2      PHE   1  -9.125  -2.177   1.893
    9    HE1  PHE   1           HE1      PHE   1  -4.675  -0.511   3.166
   10    HE2  PHE   1           HE2      PHE   1  -7.428  -3.740   2.750
   11    HZ   PHE   1           HZ       PHE   1  -5.200  -2.906   3.388
   12    H    PHE   2           HN       PHE   2  -8.285   3.098   0.533
   13    HA   PHE   2           HA       PHE   2  -5.979   3.284  -1.213
   14    HB2  PHE   2           HB2      PHE   2  -5.957   5.667  -0.483
   15    HB3  PHE   2           HB3      PHE   2  -7.493   5.163  -1.180
   16    HD1  PHE   2           HD2      PHE   2  -5.750   6.085   1.909
   17    HD2  PHE   2           HD1      PHE   2  -9.486   5.068   0.146
   18    HE1  PHE   2           HE2      PHE   2  -6.913   6.873   3.929
   19    HE2  PHE   2           HE1      PHE   2 -10.657   5.855   2.162
   20    HZ   PHE   2           HZ       PHE   2  -9.370   6.759   4.058
   21    H    CYS   3           HN       CYS   3  -3.873   3.669  -0.581
   22    HA   CYS   3           HA       CYS   3  -3.265   2.939   2.193
   23    HB2  CYS   3           HB2      CYS   3  -1.000   2.437   1.367
   24    HB3  CYS   3           HB3      CYS   3  -2.229   1.538   0.485
   25    HA   PRO   4           HA       PRO   4  -1.783   7.055   2.900
   26    HB2  PRO   4           HB2      PRO   4  -0.699   6.721   5.314
   27    HB3  PRO   4           HB3      PRO   4  -2.440   6.541   5.061
   28    HG2  PRO   4           HG2      PRO   4  -0.353   4.453   5.432
   29    HG3  PRO   4           HG3      PRO   4  -2.040   4.464   5.967
   30    HD2  PRO   4           HD2      PRO   4  -1.018   3.174   3.685
   31    HD3  PRO   4           HD3      PRO   4  -2.729   3.456   4.057
   32    H    PHE   5           HN       PHE   5   0.385   4.362   2.682
   33    HA   PHE   5           HA       PHE   5   2.545   6.177   1.944
   34    HB2  PHE   5           HB2      PHE   5   3.073   3.931   3.888
   35    HB3  PHE   5           HB3      PHE   5   4.163   5.228   3.408
   36    HD1  PHE   5           HD1      PHE   5   3.496   7.618   4.057
   37    HD2  PHE   5           HD2      PHE   5   1.769   4.137   5.791
   38    HE1  PHE   5           HE1      PHE   5   2.756   8.952   5.988
   39    HE2  PHE   5           HE2      PHE   5   1.024   5.463   7.723
   40    HZ   PHE   5           HZ       PHE   5   1.517   7.874   7.823
   41    H    GLY   6           HN       GLY   6   2.180   2.691   2.623
   42    HA2  GLY   6           HA1      GLY   6   2.503   2.086  -0.205
   43    HA3  GLY   6           HA2      GLY   6   3.808   1.550   0.842
   44    H    CYS   7           HN       CYS   7   3.654  -0.493   1.452
   45    HA   CYS   7           HA       CYS   7   1.192  -1.947   1.149
   46    HB2  CYS   7           HB2      CYS   7   3.350  -2.968   0.577
   47    HB3  CYS   7           HB3      CYS   7   3.869  -2.823   2.252
   48    H    ALA   8           HN       ALA   8   2.193   0.078   3.522
   49    HA   ALA   8           HA       ALA   8   1.862  -1.235   5.933
   50    HB1  ALA   8           HB1      ALA   8   1.397   0.911   6.904
   51    HB2  ALA   8           HB2      ALA   8   2.614   1.116   5.645
   52    HB3  ALA   8           HB3      ALA   8   0.940   1.571   5.333
   53    H    LEU   9           HN       LEU   9   0.216  -2.319   6.775
   54    HA   LEU   9           HA       LEU   9  -1.870  -3.141   7.147
   55    HB2  LEU   9           HB2      LEU   9  -2.646  -0.271   6.623
   56    HB3  LEU   9           HB3      LEU   9  -3.674  -1.476   7.375
   57    HG   LEU   9           HG       LEU   9  -1.101  -0.371   8.503
   58   HD11  LEU   9          HD11      LEU   9  -2.553   0.559  10.234
   59   HD12  LEU   9          HD12      LEU   9  -2.973   1.180   8.639
   60   HD13  LEU   9          HD13      LEU   9  -3.967  -0.068   9.388
   61   HD21  LEU   9          HD21      LEU   9  -1.360  -2.730   9.062
   62   HD22  LEU   9          HD22      LEU   9  -1.610  -1.713  10.481
   63   HD23  LEU   9          HD23      LEU   9  -2.995  -2.420   9.648
   64    H    VAL  10           HN       VAL  10  -0.812  -2.986   4.339
   65    HA   VAL  10           HA       VAL  10  -3.334  -2.937   2.843
   66    HB   VAL  10           HB       VAL  10  -0.509  -3.030   1.776
   67   HG11  VAL  10          HG11      VAL  10  -1.563  -2.465  -0.377
   68   HG12  VAL  10          HG12      VAL  10  -2.090  -4.032   0.237
   69   HG13  VAL  10          HG13      VAL  10  -3.149  -2.629   0.375
   70   HG21  VAL  10          HG21      VAL  10  -1.102  -0.661   1.057
   71   HG22  VAL  10          HG22      VAL  10  -2.427  -0.759   2.215
   72   HG23  VAL  10          HG23      VAL  10  -0.759  -0.914   2.768
   73    H    ASP  11           HN       ASP  11  -0.339  -4.850   2.484
   74    HA   ASP  11           HA       ASP  11  -1.834  -7.306   2.847
   75    HB2  ASP  11           HB2      ASP  11  -0.505  -6.600   0.229
   76    HB3  ASP  11           HB3      ASP  11  -0.990  -8.235   0.665
   77    H    CYS  12           HN       CYS  12   0.322  -5.991   4.231
   78    HA   CYS  12           HA       CYS  12   1.953  -8.149   4.832
   79    HB2  CYS  12           HB2      CYS  12   3.997  -7.809   3.709
   80    HB3  CYS  12           HB3      CYS  12   2.777  -7.659   2.454
   81    H    GLY  13           HN       GLY  13   1.811  -4.648   4.526
   82    HA2  GLY  13           HA1      GLY  13   1.781  -3.369   6.617
   83    HA3  GLY  13           HA2      GLY  13   3.055  -4.434   7.196
   84    HA   PRO  14           HA       PRO  14   4.853  -0.598   5.095
   85    HB2  PRO  14           HB2      PRO  14   5.896   0.630   7.266
   86    HB3  PRO  14           HB3      PRO  14   4.234   0.905   6.732
   87    HG2  PRO  14           HG2      PRO  14   5.251  -0.881   8.911
   88    HG3  PRO  14           HG3      PRO  14   3.857   0.215   8.924
   89    HD2  PRO  14           HD2      PRO  14   3.623  -2.464   8.533
   90    HD3  PRO  14           HD3      PRO  14   2.512  -1.285   7.808
   91    H    ASN  15           HN       ASN  15   6.010  -2.866   4.688
   92    HA   ASN  15           HA       ASN  15   8.771  -2.467   5.528
   93    HB2  ASN  15           HB2      ASN  15   7.850  -4.052   7.167
   94    HB3  ASN  15           HB3      ASN  15   7.349  -5.116   5.857
   95   HD21  ASN  15          HD21      ASN  15  10.028  -3.868   7.675
   96   HD22  ASN  15          HD22      ASN  15  11.198  -5.013   7.126
   97    H    ARG  16           HN       ARG  16   6.605  -4.573   3.624
   98    HA   ARG  16           HA       ARG  16   8.725  -4.929   1.645
   99    HB2  ARG  16           HB2      ARG  16   5.982  -6.178   1.564
  100    HB3  ARG  16           HB3      ARG  16   7.444  -6.713   0.751
  101    HG2  ARG  16           HG2      ARG  16   8.432  -7.329   2.887
  102    HG3  ARG  16           HG3      ARG  16   6.988  -6.760   3.727
  103    HD2  ARG  16           HD2      ARG  16   5.648  -8.431   2.534
  104    HD3  ARG  16           HD3      ARG  16   7.099  -9.002   1.712
  105    HE   ARG  16           HE       ARG  16   7.583  -9.135   4.448
  106   HH11  ARG  16          HH12      ARG  16   5.462 -10.611   2.103
  107   HH12  ARG  16          HH11      ARG  16   5.323 -12.098   2.979
  108   HH21  ARG  16          HH22      ARG  16   7.401 -11.088   5.603
  109   HH22  ARG  16          HH21      ARG  16   6.423 -12.370   4.966
  110    HA   PRO  17           HA       PRO  17   6.987  -1.992  -1.138
  111    HB2  PRO  17           HB2      PRO  17   7.870  -2.930  -3.511
  112    HB3  PRO  17           HB3      PRO  17   8.957  -2.209  -2.316
  113    HG2  PRO  17           HG2      PRO  17   8.432  -5.097  -2.901
  114    HG3  PRO  17           HG3      PRO  17   9.976  -4.282  -2.590
  115    HD2  PRO  17           HD2      PRO  17   8.634  -5.713  -0.698
  116    HD3  PRO  17           HD3      PRO  17   9.688  -4.340  -0.312
  117    H    CYS  18           HN       CYS  18   5.271  -1.647  -2.525
  118    HA   CYS  18           HA       CYS  18   3.702  -4.019  -3.309
  119    HB2  CYS  18           HB2      CYS  18   2.936  -2.383  -1.312
  120    HB3  CYS  18           HB3      CYS  18   2.247  -1.511  -2.678
  121    H    ARG  19           HN       ARG  19   1.922  -3.294  -4.936
  122    HA   ARG  19           HA       ARG  19   3.267  -1.669  -6.981
  123    HB2  ARG  19           HB2      ARG  19   1.353  -3.968  -7.119
  124    HB3  ARG  19           HB3      ARG  19   1.443  -2.836  -8.460
  125    HG2  ARG  19           HG2      ARG  19   2.862  -4.700  -8.929
  126    HG3  ARG  19           HG3      ARG  19   3.873  -3.287  -8.620
  127    HD2  ARG  19           HD2      ARG  19   4.851  -5.151  -7.493
  128    HD3  ARG  19           HD3      ARG  19   4.145  -4.093  -6.272
  129    HE   ARG  19           HE       ARG  19   2.184  -5.912  -6.819
  130   HH11  ARG  19          HH12      ARG  19   5.509  -6.116  -5.775
  131   HH12  ARG  19          HH11      ARG  19   5.274  -7.591  -4.897
  132   HH21  ARG  19          HH22      ARG  19   1.876  -7.853  -5.667
  133   HH22  ARG  19          HH21      ARG  19   3.210  -8.576  -4.836
  134    H    ASP  20           HN       ASP  20   2.605   0.374  -6.441
  135    HA   ASP  20           HA       ASP  20  -0.297   0.871  -6.559
  136    HB2  ASP  20           HB2      ASP  20   0.066   2.818  -5.116
  137    HB3  ASP  20           HB3      ASP  20   0.634   1.346  -4.334
  138    H    THR  21           HN       THR  21  -1.046   2.414  -7.919
  139    HA   THR  21           HA       THR  21   0.836   3.465  -9.875
  140    HB   THR  21           HB       THR  21  -2.183   3.672  -9.824
  141    HG1  THR  21           HG1      THR  21  -1.314   1.497 -10.017
  142   HG21  THR  21          HG21      THR  21  -1.116   5.395 -11.201
  143   HG22  THR  21          HG22      THR  21  -1.956   4.212 -12.205
  144   HG23  THR  21          HG23      THR  21  -0.200   4.152 -12.052
  145    H    GLY  22           HN       GLY  22  -1.082   4.532  -7.191
  146    HA2  GLY  22           HA1      GLY  22  -0.015   7.246  -7.562
  147    HA3  GLY  22           HA2      GLY  22  -1.736   7.033  -7.273
  148    H    PHE  23           HN       PHE  23  -1.071   8.517  -5.431
  149    HA   PHE  23           HA       PHE  23   0.239   7.129  -3.220
  150    HB2  PHE  23           HB2      PHE  23  -0.412   9.461  -2.101
  151    HB3  PHE  23           HB3      PHE  23   0.989   9.299  -3.159
  152    HD1  PHE  23           HD2      PHE  23  -2.484  10.482  -2.937
  153    HD2  PHE  23           HD1      PHE  23   1.054  10.319  -5.295
  154    HE1  PHE  23           HE2      PHE  23  -3.431  12.158  -4.468
  155    HE2  PHE  23           HE1      PHE  23   0.112  11.989  -6.832
  156    HZ   PHE  23           HZ       PHE  23  -2.131  12.896  -6.420
  157    H    SME  24           HN       SME  24  -2.077   5.860  -3.891
  158    HA   SME  24           HA       SME  24  -3.430   5.620  -1.482
  159    HB2  SME  24           HB2      SME  24  -5.650   6.617  -2.118
  160    HB3  SME  24           HB1      SME  24  -4.383   7.789  -1.785
  161    HG2  SME  24           HG2      SME  24  -4.020   8.069  -4.187
  162    HG3  SME  24           HG1      SME  24  -5.301   6.902  -4.510
  163    HE1  SME  24           HE1      SME  24  -7.920   7.375  -3.759
  164    HE2  SME  24           HE2      SME  24  -8.432   8.896  -3.028
  165    HE3  SME  24           HE3      SME  24  -7.403   7.785  -2.123
  166    H    SER  25           HN       SER  25  -2.409   4.026  -3.668
  167    HA   SER  25           HA       SER  25  -4.709   2.310  -4.043
  168    HB2  SER  25           HB2      SER  25  -3.165   3.394  -6.413
  169    HB3  SER  25           HB3      SER  25  -4.376   2.113  -6.489
  170    HG   SER  25           HG       SER  25  -5.812   3.761  -5.488
  171    H    CYS  26           HN       CYS  26  -2.991   1.450  -2.423
  172    HA   CYS  26           HA       CYS  26  -0.756   0.137  -3.738
  173    HB2  CYS  26           HB2      CYS  26  -1.610   0.271  -0.847
  174    HB3  CYS  26           HB3      CYS  26  -0.206  -0.629  -1.410
  175    H    ASP  27           HN       ASP  27  -1.005  -1.746  -4.672
  176    HA   ASP  27           HA       ASP  27  -2.719  -3.761  -3.397
  177    HB2  ASP  27           HB2      ASP  27  -3.999  -2.778  -5.250
  178    HB3  ASP  27           HB3      ASP  27  -2.678  -3.134  -6.358
  179    H    CYS  28           HN       CYS  28  -1.367  -5.324  -2.811
  180    HA   CYS  28           HA       CYS  28   1.029  -5.858  -4.374
  181    HB2  CYS  28           HB2      CYS  28   0.045  -6.790  -1.686
  182    HB3  CYS  28           HB3      CYS  28   1.421  -7.552  -2.473
  Start of MODEL    3
    1    H1   PHE   1           H1       PHE   1  -9.607  -0.277  -0.594
    2    H2   PHE   1           H2       PHE   1  -8.172  -0.152  -1.479
    3    H3   PHE   1           H3       PHE   1  -9.190   1.190  -1.325
    4    HA   PHE   1           HA       PHE   1  -8.784   1.295   1.030
    5    HB2  PHE   1           HB2      PHE   1  -6.949  -0.160   1.956
    6    HB3  PHE   1           HB3      PHE   1  -8.432  -1.015   1.546
    7    HD1  PHE   1           HD2      PHE   1  -4.971  -0.337   0.468
    8    HD2  PHE   1           HD1      PHE   1  -8.455  -2.715  -0.094
    9    HE1  PHE   1           HE2      PHE   1  -3.682  -1.887  -0.942
   10    HE2  PHE   1           HE1      PHE   1  -7.171  -4.270  -1.503
   11    HZ   PHE   1           HZ       PHE   1  -4.782  -3.856  -1.930
   12    H    PHE   2           HN       PHE   2  -7.476   2.942   1.512
   13    HA   PHE   2           HA       PHE   2  -5.567   3.818  -0.468
   14    HB2  PHE   2           HB2      PHE   2  -5.344   5.803   1.053
   15    HB3  PHE   2           HB3      PHE   2  -6.984   5.499   0.490
   16    HD1  PHE   2           HD2      PHE   2  -4.712   5.292   3.374
   17    HD2  PHE   2           HD1      PHE   2  -8.725   4.921   2.004
   18    HE1  PHE   2           HE2      PHE   2  -5.502   5.266   5.704
   19    HE2  PHE   2           HE1      PHE   2  -9.521   4.895   4.331
   20    HZ   PHE   2           HZ       PHE   2  -7.910   5.066   6.186
   21    H    CYS   3           HN       CYS   3  -3.364   4.067  -0.203
   22    HA   CYS   3           HA       CYS   3  -2.210   2.562   2.040
   23    HB2  CYS   3           HB2      CYS   3  -0.259   2.201   0.642
   24    HB3  CYS   3           HB3      CYS   3  -1.710   1.699  -0.218
   25    HA   PRO   4           HA       PRO   4  -0.643   6.593   3.259
   26    HB2  PRO   4           HB2      PRO   4  -0.079   6.004   5.796
   27    HB3  PRO   4           HB3      PRO   4  -1.754   6.131   5.244
   28    HG2  PRO   4           HG2      PRO   4  -0.113   3.697   5.777
   29    HG3  PRO   4           HG3      PRO   4  -1.827   3.990   6.113
   30    HD2  PRO   4           HD2      PRO   4  -0.823   2.595   3.917
   31    HD3  PRO   4           HD3      PRO   4  -2.454   3.281   4.043
   32    H    PHE   5           HN       PHE   5   1.015   3.524   3.422
   33    HA   PHE   5           HA       PHE   5   3.548   4.872   2.962
   34    HB2  PHE   5           HB2      PHE   5   3.452   2.801   5.139
   35    HB3  PHE   5           HB3      PHE   5   4.714   3.978   4.794
   36    HD1  PHE   5           HD2      PHE   5   4.222   6.426   5.238
   37    HD2  PHE   5           HD1      PHE   5   1.768   3.264   6.679
   38    HE1  PHE   5           HE2      PHE   5   3.249   7.947   6.911
   39    HE2  PHE   5           HE1      PHE   5   0.790   4.777   8.353
   40    HZ   PHE   5           HZ       PHE   5   1.529   7.120   8.470
   41    H    GLY   6           HN       GLY   6   1.627   2.978   1.589
   42    HA2  GLY   6           HA1      GLY   6   2.323   1.548  -0.201
   43    HA3  GLY   6           HA2      GLY   6   3.683   1.034   0.785
   44    H    CYS   7           HN       CYS   7   3.521  -0.837   1.848
   45    HA   CYS   7           HA       CYS   7   1.014  -2.300   1.676
   46    HB2  CYS   7           HB2      CYS   7   3.159  -3.371   1.037
   47    HB3  CYS   7           HB3      CYS   7   3.713  -3.207   2.698
   48    H    ALA   8           HN       ALA   8   1.861  -0.045   3.713
   49    HA   ALA   8           HA       ALA   8   1.939  -1.063   6.284
   50    HB1  ALA   8           HB1      ALA   8   2.314   1.289   5.753
   51    HB2  ALA   8           HB2      ALA   8   0.604   1.478   5.367
   52    HB3  ALA   8           HB3      ALA   8   1.099   1.104   7.018
   53    H    LEU   9           HN       LEU   9  -0.885  -0.334   4.272
   54    HA   LEU   9           HA       LEU   9  -2.523  -1.873   6.176
   55    HB2  LEU   9           HB2      LEU   9  -2.805   0.773   5.846
   56    HB3  LEU   9           HB3      LEU   9  -3.835   0.216   4.540
   57    HG   LEU   9           HG       LEU   9  -5.154   0.624   6.526
   58   HD11  LEU   9          HD11      LEU   9  -6.249  -1.545   6.745
   59   HD12  LEU   9          HD12      LEU   9  -5.857  -1.188   5.062
   60   HD13  LEU   9          HD13      LEU   9  -4.865  -2.323   5.976
   61   HD21  LEU   9          HD21      LEU   9  -3.400  -1.427   7.869
   62   HD22  LEU   9          HD22      LEU   9  -3.406   0.306   8.197
   63   HD23  LEU   9          HD23      LEU   9  -4.829  -0.667   8.569
   64    H    VAL  10           HN       VAL  10  -1.140  -2.829   3.822
   65    HA   VAL  10           HA       VAL  10  -3.361  -3.331   1.977
   66    HB   VAL  10           HB       VAL  10  -0.405  -3.828   1.593
   67   HG11  VAL  10          HG11      VAL  10  -0.985  -4.301  -0.739
   68   HG12  VAL  10          HG12      VAL  10  -1.749  -5.448   0.360
   69   HG13  VAL  10          HG13      VAL  10  -2.697  -4.139  -0.345
   70   HG21  VAL  10          HG21      VAL  10  -0.977  -1.464   1.625
   71   HG22  VAL  10          HG22      VAL  10  -0.537  -1.980  -0.004
   72   HG23  VAL  10          HG23      VAL  10  -2.233  -1.739   0.417
   73    H    ASP  11           HN       ASP  11  -0.587  -5.478   2.481
   74    HA   ASP  11           HA       ASP  11  -2.247  -7.431   3.835
   75    HB2  ASP  11           HB2      ASP  11  -2.725  -7.783   1.425
   76    HB3  ASP  11           HB3      ASP  11  -1.008  -8.065   1.149
   77    H    CYS  12           HN       CYS  12   0.028  -6.063   4.750
   78    HA   CYS  12           HA       CYS  12   1.590  -8.203   5.685
   79    HB2  CYS  12           HB2      CYS  12   3.594  -8.075   4.492
   80    HB3  CYS  12           HB3      CYS  12   2.371  -7.948   3.237
   81    H    GLY  13           HN       GLY  13   1.472  -4.753   4.992
   82    HA2  GLY  13           HA1      GLY  13   1.455  -3.230   6.897
   83    HA3  GLY  13           HA2      GLY  13   2.665  -4.263   7.647
   84    HA   PRO  14           HA       PRO  14   4.780  -0.743   5.392
   85    HB2  PRO  14           HB2      PRO  14   6.119   0.285   7.499
   86    HB3  PRO  14           HB3      PRO  14   4.454   0.748   7.121
   87    HG2  PRO  14           HG2      PRO  14   5.458  -1.225   9.140
   88    HG3  PRO  14           HG3      PRO  14   4.202   0.014   9.320
   89    HD2  PRO  14           HD2      PRO  14   3.632  -2.600   8.863
   90    HD3  PRO  14           HD3      PRO  14   2.604  -1.277   8.276
   91    H    ASN  15           HN       ASN  15   5.661  -3.055   4.777
   92    HA   ASN  15           HA       ASN  15   8.499  -3.029   5.470
   93    HB2  ASN  15           HB2      ASN  15   7.443  -4.676   6.983
   94    HB3  ASN  15           HB3      ASN  15   6.812  -5.539   5.584
   95   HD21  ASN  15          HD21      ASN  15   8.620  -6.436   7.687
   96   HD22  ASN  15          HD22      ASN  15  10.054  -6.972   6.888
   97    H    ARG  16           HN       ARG  16   6.052  -4.768   3.533
   98    HA   ARG  16           HA       ARG  16   7.986  -5.120   1.388
   99    HB2  ARG  16           HB2      ARG  16   6.314  -6.901   2.159
  100    HB3  ARG  16           HB3      ARG  16   5.088  -5.945   1.339
  101    HG2  ARG  16           HG2      ARG  16   5.781  -7.684  -0.131
  102    HG3  ARG  16           HG3      ARG  16   6.410  -6.159  -0.756
  103    HD2  ARG  16           HD2      ARG  16   8.096  -7.908  -0.891
  104    HD3  ARG  16           HD3      ARG  16   8.589  -6.650   0.242
  105    HE   ARG  16           HE       ARG  16   7.253  -8.729   1.612
  106   HH11  ARG  16          HH12      ARG  16  10.283  -8.009   0.037
  107   HH12  ARG  16          HH11      ARG  16  11.193  -9.122   1.002
  108   HH21  ARG  16          HH22      ARG  16   8.448 -10.195   2.882
  109   HH22  ARG  16          HH21      ARG  16  10.151 -10.365   2.616
  110    HA   PRO  17           HA       PRO  17   6.382  -1.556  -0.757
  111    HB2  PRO  17           HB2      PRO  17   7.941  -1.660  -2.922
  112    HB3  PRO  17           HB3      PRO  17   8.613  -1.287  -1.331
  113    HG2  PRO  17           HG2      PRO  17   8.678  -3.851  -2.864
  114    HG3  PRO  17           HG3      PRO  17   9.946  -3.102  -1.879
  115    HD2  PRO  17           HD2      PRO  17   8.270  -5.147  -1.038
  116    HD3  PRO  17           HD3      PRO  17   9.168  -4.059   0.036
  117    H    CYS  18           HN       CYS  18   4.487  -1.472  -1.786
  118    HA   CYS  18           HA       CYS  18   3.784  -3.592  -3.682
  119    HB2  CYS  18           HB2      CYS  18   2.077  -1.483  -2.345
  120    HB3  CYS  18           HB3      CYS  18   1.473  -2.691  -3.473
  121    H    ARG  19           HN       ARG  19   2.312  -2.788  -5.531
  122    HA   ARG  19           HA       ARG  19   3.816  -0.742  -6.955
  123    HB2  ARG  19           HB2      ARG  19   1.690  -2.691  -7.850
  124    HB3  ARG  19           HB3      ARG  19   2.424  -1.496  -8.910
  125    HG2  ARG  19           HG2      ARG  19   3.885  -3.705  -7.475
  126    HG3  ARG  19           HG3      ARG  19   3.444  -3.692  -9.185
  127    HD2  ARG  19           HD2      ARG  19   5.302  -1.760  -7.801
  128    HD3  ARG  19           HD3      ARG  19   5.774  -3.060  -8.894
  129    HE   ARG  19           HE       ARG  19   4.076  -1.583 -10.391
  130   HH11  ARG  19          HH12      ARG  19   6.906  -0.787  -8.512
  131   HH12  ARG  19          HH11      ARG  19   7.360   0.540  -9.526
  132   HH21  ARG  19          HH22      ARG  19   4.671   0.162 -11.727
  133   HH22  ARG  19          HH21      ARG  19   6.090   1.080 -11.351
  134    H    ASP  20           HN       ASP  20   3.171   1.292  -7.026
  135    HA   ASP  20           HA       ASP  20   0.388   1.928  -6.360
  136    HB2  ASP  20           HB2      ASP  20   2.091   3.016  -4.981
  137    HB3  ASP  20           HB3      ASP  20   2.849   3.690  -6.419
  138    H    THR  21           HN       THR  21  -0.919   2.185  -8.043
  139    HA   THR  21           HA       THR  21   0.149   3.053 -10.613
  140    HB   THR  21           HB       THR  21  -2.663   2.184  -9.910
  141    HG1  THR  21           HG1      THR  21  -0.902   0.571  -9.727
  142   HG21  THR  21          HG21      THR  21  -1.306   2.536 -12.586
  143   HG22  THR  21          HG22      THR  21  -2.561   3.579 -11.917
  144   HG23  THR  21          HG23      THR  21  -2.933   1.906 -12.332
  145    H    GLY  22           HN       GLY  22  -1.906   4.180  -8.020
  146    HA2  GLY  22           HA1      GLY  22  -1.988   6.817  -9.320
  147    HA3  GLY  22           HA2      GLY  22  -3.477   6.111  -8.710
  148    H    PHE  23           HN       PHE  23  -3.759   7.873  -7.284
  149    HA   PHE  23           HA       PHE  23  -1.743   8.271  -5.206
  150    HB2  PHE  23           HB2      PHE  23  -3.663   9.943  -4.431
  151    HB3  PHE  23           HB3      PHE  23  -2.566  10.350  -5.749
  152    HD1  PHE  23           HD1      PHE  23  -5.951   9.183  -4.917
  153    HD2  PHE  23           HD2      PHE  23  -3.326  10.529  -7.981
  154    HE1  PHE  23           HE1      PHE  23  -7.859   9.392  -6.455
  155    HE2  PHE  23           HE2      PHE  23  -5.228  10.748  -9.522
  156    HZ   PHE  23           HZ       PHE  23  -7.487  10.166  -8.758
  157    H    SME  24           HN       SME  24  -1.748   7.070  -3.432
  158    HA   SME  24           HA       SME  24  -2.437   5.836  -1.650
  159    HB2  SME  24           HB2      SME  24  -5.071   7.235  -2.153
  160    HB3  SME  24           HB1      SME  24  -4.672   6.319  -0.707
  161    HG2  SME  24           HG2      SME  24  -3.012   7.885  -0.066
  162    HG3  SME  24           HG1      SME  24  -3.097   8.706  -1.623
  163    HE1  SME  24           HE1      SME  24  -6.466   8.928   1.555
  164    HE2  SME  24           HE2      SME  24  -5.049   7.885   1.693
  165    HE3  SME  24           HE3      SME  24  -6.305   7.516   0.511
  166    H    SER  25           HN       SER  25  -2.206   4.305  -3.728
  167    HA   SER  25           HA       SER  25  -4.369   2.399  -3.478
  168    HB2  SER  25           HB2      SER  25  -4.661   2.149  -5.922
  169    HB3  SER  25           HB3      SER  25  -5.130   3.759  -5.373
  170    HG   SER  25           HG       SER  25  -3.625   3.413  -7.317
  171    H    CYS  26           HN       CYS  26  -2.208   1.784  -2.344
  172    HA   CYS  26           HA       CYS  26  -0.280   0.593  -4.172
  173    HB2  CYS  26           HB2      CYS  26  -0.263   0.675  -1.153
  174    HB3  CYS  26           HB3      CYS  26   1.074   0.200  -2.191
  175    H    ASP  27           HN       ASP  27  -0.615  -1.386  -4.898
  176    HA   ASP  27           HA       ASP  27  -1.811  -3.373  -3.081
  177    HB2  ASP  27           HB2      ASP  27  -2.330  -3.108  -6.050
  178    HB3  ASP  27           HB3      ASP  27  -2.958  -4.384  -5.012
  179    H    CYS  28           HN       CYS  28  -0.583  -5.107  -2.766
  180    HA   CYS  28           HA       CYS  28   1.773  -5.499  -4.428
  181    HB2  CYS  28           HB2      CYS  28   0.884  -6.483  -1.748
  182    HB3  CYS  28           HB3      CYS  28   2.092  -7.409  -2.632
  Start of MODEL    4
    1    H1   PHE   1           H1       PHE   1  -8.133   0.084  -1.782
    2    H2   PHE   1           H2       PHE   1  -9.124   1.443  -1.606
    3    H3   PHE   1           H3       PHE   1  -9.547  -0.013  -0.858
    4    HA   PHE   1           HA       PHE   1  -8.649   1.571   0.725
    5    HB2  PHE   1           HB2      PHE   1  -6.902   0.070   1.679
    6    HB3  PHE   1           HB3      PHE   1  -8.373  -0.778   1.214
    7    HD1  PHE   1           HD2      PHE   1  -8.401  -2.093  -0.911
    8    HD2  PHE   1           HD1      PHE   1  -4.823  -0.482   0.734
    9    HE1  PHE   1           HE2      PHE   1  -7.076  -3.642  -2.289
   10    HE2  PHE   1           HE1      PHE   1  -3.491  -2.027  -0.640
   11    HZ   PHE   1           HZ       PHE   1  -4.616  -3.610  -2.154
   12    H    PHE   2           HN       PHE   2  -7.267   3.176   1.158
   13    HA   PHE   2           HA       PHE   2  -5.286   3.852  -0.864
   14    HB2  PHE   2           HB2      PHE   2  -6.119   5.420   1.585
   15    HB3  PHE   2           HB3      PHE   2  -5.198   6.022   0.212
   16    HD1  PHE   2           HD2      PHE   2  -8.509   4.842   1.308
   17    HD2  PHE   2           HD1      PHE   2  -6.270   6.741  -1.772
   18    HE1  PHE   2           HE2      PHE   2 -10.604   5.513   0.205
   19    HE2  PHE   2           HE1      PHE   2  -8.360   7.417  -2.881
   20    HZ   PHE   2           HZ       PHE   2 -10.531   6.802  -1.893
   21    H    CYS   3           HN       CYS   3  -3.089   4.182  -0.445
   22    HA   CYS   3           HA       CYS   3  -2.125   2.947   2.048
   23    HB2  CYS   3           HB2      CYS   3  -0.117   2.292   0.836
   24    HB3  CYS   3           HB3      CYS   3  -1.550   1.664   0.034
   25    HA   PRO   4           HA       PRO   4  -0.431   7.090   2.586
   26    HB2  PRO   4           HB2      PRO   4  -0.317   7.074   5.248
   27    HB3  PRO   4           HB3      PRO   4  -1.868   7.174   4.406
   28    HG2  PRO   4           HG2      PRO   4  -0.586   4.839   5.747
   29    HG3  PRO   4           HG3      PRO   4  -2.295   5.302   5.689
   30    HD2  PRO   4           HD2      PRO   4  -1.060   3.379   4.073
   31    HD3  PRO   4           HD3      PRO   4  -2.638   4.132   3.771
   32    H    PHE   5           HN       PHE   5   0.871   4.054   3.757
   33    HA   PHE   5           HA       PHE   5   3.570   5.080   3.416
   34    HB2  PHE   5           HB2      PHE   5   2.967   3.647   5.987
   35    HB3  PHE   5           HB3      PHE   5   4.351   4.656   5.582
   36    HD1  PHE   5           HD1      PHE   5   3.992   7.150   5.353
   37    HD2  PHE   5           HD2      PHE   5   1.094   4.536   7.050
   38    HE1  PHE   5           HE1      PHE   5   2.894   9.071   6.430
   39    HE2  PHE   5           HE2      PHE   5  -0.008   6.451   8.130
   40    HZ   PHE   5           HZ       PHE   5   0.890   8.721   7.819
   41    H    GLY   6           HN       GLY   6   2.376   3.336   1.751
   42    HA2  GLY   6           HA1      GLY   6   3.220   1.396   0.704
   43    HA3  GLY   6           HA2      GLY   6   3.909   0.894   2.243
   44    H    CYS   7           HN       CYS   7   3.011  -1.206   2.029
   45    HA   CYS   7           HA       CYS   7   0.113  -1.412   1.904
   46    HB2  CYS   7           HB2      CYS   7   0.426  -3.784   1.690
   47    HB3  CYS   7           HB3      CYS   7   1.577  -2.983   0.628
   48    H    ALA   8           HN       ALA   8   1.071  -0.087   4.183
   49    HA   ALA   8           HA       ALA   8   1.299  -1.759   6.445
   50    HB1  ALA   8           HB1      ALA   8   1.995   0.618   6.383
   51    HB2  ALA   8           HB2      ALA   8   0.294   1.083   6.352
   52    HB3  ALA   8           HB3      ALA   8   0.953   0.237   7.753
   53    H    LEU   9           HN       LEU   9  -0.193  -2.924   7.463
   54    HA   LEU   9           HA       LEU   9  -2.200  -3.748   8.151
   55    HB2  LEU   9           HB2      LEU   9  -2.457  -1.396   8.979
   56    HB3  LEU   9           HB3      LEU   9  -3.289  -1.012   7.484
   57    HG   LEU   9           HG       LEU   9  -5.073  -2.588   8.050
   58   HD11  LEU   9          HD11      LEU   9  -3.502  -3.033  10.583
   59   HD12  LEU   9          HD12      LEU   9  -5.136  -3.622  10.276
   60   HD13  LEU   9          HD13      LEU   9  -3.786  -4.214   9.306
   61   HD21  LEU   9          HD21      LEU   9  -5.285  -0.273   8.770
   62   HD22  LEU   9          HD22      LEU   9  -6.020  -1.363   9.944
   63   HD23  LEU   9          HD23      LEU   9  -4.441  -0.651  10.272
   64    H    VAL  10           HN       VAL  10  -1.373  -3.456   5.180
   65    HA   VAL  10           HA       VAL  10  -4.009  -3.817   3.951
   66    HB   VAL  10           HB       VAL  10  -1.306  -3.448   2.642
   67   HG11  VAL  10          HG11      VAL  10  -2.515  -3.254   0.552
   68   HG12  VAL  10          HG12      VAL  10  -2.854  -4.815   1.299
   69   HG13  VAL  10          HG13      VAL  10  -4.047  -3.519   1.385
   70   HG21  VAL  10          HG21      VAL  10  -2.093  -1.430   3.761
   71   HG22  VAL  10          HG22      VAL  10  -2.152  -1.239   2.007
   72   HG23  VAL  10          HG23      VAL  10  -3.634  -1.550   2.912
   73    H    ASP  11           HN       ASP  11  -0.889  -5.255   3.023
   74    HA   ASP  11           HA       ASP  11  -1.821  -7.900   3.746
   75    HB2  ASP  11           HB2      ASP  11  -2.707  -7.372   1.414
   76    HB3  ASP  11           HB3      ASP  11  -1.025  -7.381   0.887
   77    H    CYS  12           HN       CYS  12   0.356  -6.153   4.515
   78    HA   CYS  12           HA       CYS  12   2.410  -7.950   4.806
   79    HB2  CYS  12           HB2      CYS  12   4.084  -6.853   3.128
   80    HB3  CYS  12           HB3      CYS  12   2.979  -8.104   2.573
   81    H    GLY  13           HN       GLY  13   1.107  -5.682   6.107
   82    HA2  GLY  13           HA1      GLY  13   1.601  -3.821   7.375
   83    HA3  GLY  13           HA2      GLY  13   3.072  -4.714   7.716
   84    HA   PRO  14           HA       PRO  14   4.288  -0.848   5.476
   85    HB2  PRO  14           HB2      PRO  14   5.486   0.496   7.443
   86    HB3  PRO  14           HB3      PRO  14   3.724   0.479   7.298
   87    HG2  PRO  14           HG2      PRO  14   5.486  -1.047   9.161
   88    HG3  PRO  14           HG3      PRO  14   3.904  -0.311   9.464
   89    HD2  PRO  14           HD2      PRO  14   4.367  -3.008   8.904
   90    HD3  PRO  14           HD3      PRO  14   2.802  -2.182   8.788
   91    H    ASN  15           HN       ASN  15   5.585  -3.199   5.099
   92    HA   ASN  15           HA       ASN  15   8.367  -2.368   5.175
   93    HB2  ASN  15           HB2      ASN  15   8.023  -3.657   7.274
   94    HB3  ASN  15           HB3      ASN  15   7.527  -5.043   6.309
   95   HD21  ASN  15          HD21      ASN  15   9.203  -6.305   7.096
   96   HD22  ASN  15          HD22      ASN  15  10.843  -6.069   6.606
   97    H    ARG  16           HN       ARG  16   6.178  -2.944   3.180
   98    HA   ARG  16           HA       ARG  16   7.842  -4.484   1.368
   99    HB2  ARG  16           HB2      ARG  16   5.008  -5.297   2.025
  100    HB3  ARG  16           HB3      ARG  16   5.937  -5.932   0.676
  101    HG2  ARG  16           HG2      ARG  16   6.722  -6.187   3.572
  102    HG3  ARG  16           HG3      ARG  16   5.899  -7.433   2.630
  103    HD2  ARG  16           HD2      ARG  16   8.599  -6.255   1.981
  104    HD3  ARG  16           HD3      ARG  16   8.331  -7.805   2.777
  105    HE   ARG  16           HE       ARG  16   6.966  -7.628   0.277
  106   HH11  ARG  16          HH12      ARG  16  10.077  -8.237   1.736
  107   HH12  ARG  16          HH11      ARG  16  10.648  -9.200   0.415
  108   HH21  ARG  16          HH22      ARG  16   7.714  -8.895  -1.461
  109   HH22  ARG  16          HH21      ARG  16   9.307  -9.573  -1.400
  110    HA   PRO  17           HA       PRO  17   6.092  -1.222  -1.154
  111    HB2  PRO  17           HB2      PRO  17   7.679  -1.520  -3.288
  112    HB3  PRO  17           HB3      PRO  17   8.297  -0.865  -1.766
  113    HG2  PRO  17           HG2      PRO  17   8.557  -3.628  -2.885
  114    HG3  PRO  17           HG3      PRO  17   9.774  -2.634  -2.065
  115    HD2  PRO  17           HD2      PRO  17   8.325  -4.629  -0.843
  116    HD3  PRO  17           HD3      PRO  17   9.048  -3.253   0.012
  117    H    CYS  18           HN       CYS  18   4.583  -1.086  -2.755
  118    HA   CYS  18           HA       CYS  18   3.967  -3.541  -4.265
  119    HB2  CYS  18           HB2      CYS  18   2.022  -1.597  -3.007
  120    HB3  CYS  18           HB3      CYS  18   1.561  -2.879  -4.119
  121    H    ARG  19           HN       ARG  19   2.418  -2.979  -6.151
  122    HA   ARG  19           HA       ARG  19   3.695  -0.837  -7.654
  123    HB2  ARG  19           HB2      ARG  19   1.769  -3.011  -8.489
  124    HB3  ARG  19           HB3      ARG  19   2.437  -1.809  -9.584
  125    HG2  ARG  19           HG2      ARG  19   4.026  -3.833  -8.020
  126    HG3  ARG  19           HG3      ARG  19   3.628  -3.929  -9.737
  127    HD2  ARG  19           HD2      ARG  19   4.865  -1.845 -10.125
  128    HD3  ARG  19           HD3      ARG  19   5.277  -1.777  -8.412
  129    HE   ARG  19           HE       ARG  19   6.136  -4.240  -9.374
  130   HH11  ARG  19          HH12      ARG  19   6.840  -0.860  -9.886
  131   HH12  ARG  19          HH11      ARG  19   8.493  -1.142 -10.321
  132   HH21  ARG  19          HH22      ARG  19   8.309  -4.612  -9.945
  133   HH22  ARG  19          HH21      ARG  19   9.326  -3.272 -10.355
  134    H    ASP  20           HN       ASP  20   2.849   1.111  -7.207
  135    HA   ASP  20           HA       ASP  20  -0.019   1.420  -6.842
  136    HB2  ASP  20           HB2      ASP  20   0.529   3.754  -6.266
  137    HB3  ASP  20           HB3      ASP  20   1.469   2.610  -5.312
  138    H    THR  21           HN       THR  21  -1.373   2.543  -8.185
  139    HA   THR  21           HA       THR  21  -0.306   3.119 -10.862
  140    HB   THR  21           HB       THR  21  -2.066   1.437 -10.856
  141    HG1  THR  21           HG1      THR  21  -3.178   3.862 -11.844
  142   HG21  THR  21          HG21      THR  21  -4.351   2.001 -10.157
  143   HG22  THR  21          HG22      THR  21  -3.787   3.573  -9.589
  144   HG23  THR  21          HG23      THR  21  -3.221   2.096  -8.806
  145    H    GLY  22           HN       GLY  22  -1.902   4.528  -8.117
  146    HA2  GLY  22           HA1      GLY  22  -1.715   7.145  -9.418
  147    HA3  GLY  22           HA2      GLY  22  -3.282   6.656  -8.793
  148    H    PHE  23           HN       PHE  23  -3.523   8.114  -7.174
  149    HA   PHE  23           HA       PHE  23  -1.355   8.510  -5.257
  150    HB2  PHE  23           HB2      PHE  23  -3.308  10.019  -4.229
  151    HB3  PHE  23           HB3      PHE  23  -2.308  10.571  -5.571
  152    HD1  PHE  23           HD1      PHE  23  -5.592   9.232  -4.624
  153    HD2  PHE  23           HD2      PHE  23  -3.195  10.819  -7.760
  154    HE1  PHE  23           HE1      PHE  23  -7.593   9.457  -6.036
  155    HE2  PHE  23           HE2      PHE  23  -5.191  11.053  -9.174
  156    HZ   PHE  23           HZ       PHE  23  -7.383  10.361  -8.313
  157    H    SME  24           HN       SME  24  -1.131   7.059  -3.700
  158    HA   SME  24           HA       SME  24  -1.581   5.644  -1.981
  159    HB2  SME  24           HB2      SME  24  -4.289   6.971  -1.835
  160    HB3  SME  24           HB1      SME  24  -3.438   6.130  -0.546
  161    HG2  SME  24           HG2      SME  24  -1.689   7.879  -0.623
  162    HG3  SME  24           HG1      SME  24  -2.659   8.743  -1.813
  163    HE1  SME  24           HE1      SME  24  -4.011   8.084   2.573
  164    HE2  SME  24           HE2      SME  24  -2.413   7.622   1.989
  165    HE3  SME  24           HE3      SME  24  -3.841   6.754   1.428
  166    H    SER  25           HN       SER  25  -1.598   4.097  -3.838
  167    HA   SER  25           HA       SER  25  -3.967   2.435  -3.668
  168    HB2  SER  25           HB2      SER  25  -4.151   2.184  -6.127
  169    HB3  SER  25           HB3      SER  25  -4.480   3.840  -5.615
  170    HG   SER  25           HG       SER  25  -2.262   4.303  -6.164
  171    H    CYS  26           HN       CYS  26  -2.009   1.593  -2.411
  172    HA   CYS  26           HA       CYS  26  -0.016   0.260  -4.054
  173    HB2  CYS  26           HB2      CYS  26  -0.347   0.344  -1.051
  174    HB3  CYS  26           HB3      CYS  26   1.039  -0.311  -1.915
  175    H    ASP  27           HN       ASP  27  -0.316  -1.708  -4.802
  176    HA   ASP  27           HA       ASP  27  -1.708  -3.684  -3.157
  177    HB2  ASP  27           HB2      ASP  27  -3.414  -2.767  -4.673
  178    HB3  ASP  27           HB3      ASP  27  -2.393  -3.146  -6.055
  179    H    CYS  28           HN       CYS  28  -0.292  -5.275  -2.904
  180    HA   CYS  28           HA       CYS  28   1.719  -5.792  -4.944
  181    HB2  CYS  28           HB2      CYS  28   1.319  -6.735  -2.116
  182    HB3  CYS  28           HB3      CYS  28   2.475  -7.525  -3.180
  Start of MODEL    5
    1    H1   PHE   1           H1       PHE   1  -9.757   0.187   0.269
    2    H2   PHE   1           H2       PHE   1  -8.508   0.307  -0.865
    3    H3   PHE   1           H3       PHE   1  -9.462   1.658  -0.512
    4    HA   PHE   1           HA       PHE   1  -8.624   1.735   1.725
    5    HB2  PHE   1           HB2      PHE   1  -6.674   0.242   2.286
    6    HB3  PHE   1           HB3      PHE   1  -8.222  -0.586   2.152
    7    HD1  PHE   1           HD2      PHE   1  -8.715  -1.966   0.164
    8    HD2  PHE   1           HD1      PHE   1  -4.876  -0.254   0.823
    9    HE1  PHE   1           HE2      PHE   1  -7.744  -3.523  -1.476
   10    HE2  PHE   1           HE1      PHE   1  -3.898  -1.806  -0.816
   11    HZ   PHE   1           HZ       PHE   1  -5.332  -3.444  -1.968
   12    H    PHE   2           HN       PHE   2  -7.260   3.384   1.939
   13    HA   PHE   2           HA       PHE   2  -5.607   4.119  -0.341
   14    HB2  PHE   2           HB2      PHE   2  -6.254   5.621   2.205
   15    HB3  PHE   2           HB3      PHE   2  -5.357   6.277   0.840
   16    HD1  PHE   2           HD1      PHE   2  -6.567   6.304  -1.435
   17    HD2  PHE   2           HD2      PHE   2  -8.553   5.841   2.299
   18    HE1  PHE   2           HE1      PHE   2  -8.676   7.031  -2.472
   19    HE2  PHE   2           HE2      PHE   2 -10.667   6.566   1.269
   20    HZ   PHE   2           HZ       PHE   2 -10.731   7.162  -1.119
   21    H    CYS   3           HN       CYS   3  -3.398   4.265  -0.331
   22    HA   CYS   3           HA       CYS   3  -2.059   3.151   2.033
   23    HB2  CYS   3           HB2      CYS   3  -0.294   2.402   0.591
   24    HB3  CYS   3           HB3      CYS   3  -1.824   1.905  -0.119
   25    HA   PRO   4           HA       PRO   4  -0.286   7.248   2.429
   26    HB2  PRO   4           HB2      PRO   4   0.798   6.941   4.850
   27    HB3  PRO   4           HB3      PRO   4  -0.956   7.023   4.639
   28    HG2  PRO   4           HG2      PRO   4   0.794   4.637   5.066
   29    HG3  PRO   4           HG3      PRO   4  -0.804   4.992   5.748
   30    HD2  PRO   4           HD2      PRO   4  -0.337   3.341   3.572
   31    HD3  PRO   4           HD3      PRO   4  -1.886   4.125   3.937
   32    H    PHE   5           HN       PHE   5   1.520   4.254   2.927
   33    HA   PHE   5           HA       PHE   5   3.884   5.554   1.767
   34    HB2  PHE   5           HB2      PHE   5   4.171   3.569   4.010
   35    HB3  PHE   5           HB3      PHE   5   5.356   4.718   3.400
   36    HD1  PHE   5           HD2      PHE   5   4.971   7.183   3.834
   37    HD2  PHE   5           HD1      PHE   5   2.780   4.111   5.801
   38    HE1  PHE   5           HE2      PHE   5   4.324   8.777   5.592
   39    HE2  PHE   5           HE1      PHE   5   2.127   5.700   7.563
   40    HZ   PHE   5           HZ       PHE   5   2.898   8.035   7.460
   41    H    GLY   6           HN       GLY   6   2.952   2.345   3.013
   42    HA2  GLY   6           HA1      GLY   6   3.374   1.240   0.322
   43    HA3  GLY   6           HA2      GLY   6   4.240   0.535   1.681
   44    H    CYS   7           HN       CYS   7   3.319  -1.439   1.879
   45    HA   CYS   7           HA       CYS   7   0.421  -1.682   1.767
   46    HB2  CYS   7           HB2      CYS   7   0.783  -4.085   1.822
   47    HB3  CYS   7           HB3      CYS   7   1.805  -3.353   0.594
   48    H    ALA   8           HN       ALA   8   1.303  -0.156   3.892
   49    HA   ALA   8           HA       ALA   8   1.770  -1.392   6.312
   50    HB1  ALA   8           HB1      ALA   8   1.847   1.028   5.985
   51    HB2  ALA   8           HB2      ALA   8   0.091   1.063   5.828
   52    HB3  ALA   8           HB3      ALA   8   0.829   0.595   7.360
   53    H    LEU   9           HN       LEU   9  -1.167  -1.281   4.460
   54    HA   LEU   9           HA       LEU   9  -2.425  -3.069   6.383
   55    HB2  LEU   9           HB2      LEU   9  -3.079  -0.724   6.988
   56    HB3  LEU   9           HB3      LEU   9  -3.836  -0.584   5.414
   57    HG   LEU   9           HG       LEU   9  -5.385  -2.412   6.004
   58   HD11  LEU   9          HD11      LEU   9  -3.968  -3.613   7.573
   59   HD12  LEU   9          HD12      LEU   9  -4.054  -2.262   8.704
   60   HD13  LEU   9          HD13      LEU   9  -5.507  -3.185   8.321
   61   HD21  LEU   9          HD21      LEU   9  -6.709  -1.154   7.632
   62   HD22  LEU   9          HD22      LEU   9  -5.310  -0.140   7.986
   63   HD23  LEU   9          HD23      LEU   9  -6.045  -0.100   6.383
   64    H    VAL  10           HN       VAL  10  -1.382  -3.636   3.842
   65    HA   VAL  10           HA       VAL  10  -3.849  -4.109   2.301
   66    HB   VAL  10           HB       VAL  10  -1.078  -3.945   1.124
   67   HG11  VAL  10          HG11      VAL  10  -2.326  -3.721  -0.997
   68   HG12  VAL  10          HG12      VAL  10  -2.594  -5.269  -0.197
   69   HG13  VAL  10          HG13      VAL  10  -3.824  -4.009  -0.111
   70   HG21  VAL  10          HG21      VAL  10  -3.230  -1.837   1.186
   71   HG22  VAL  10          HG22      VAL  10  -1.700  -1.783   2.061
   72   HG23  VAL  10          HG23      VAL  10  -1.711  -1.734   0.297
   73    H    ASP  11           HN       ASP  11  -0.568  -5.517   2.036
   74    HA   ASP  11           HA       ASP  11  -1.578  -8.076   2.942
   75    HB2  ASP  11           HB2      ASP  11  -0.628  -7.641   0.110
   76    HB3  ASP  11           HB3      ASP  11  -0.763  -9.231   0.854
   77    H    CYS  12           HN       CYS  12   0.413  -6.334   3.988
   78    HA   CYS  12           HA       CYS  12   2.395  -8.124   4.667
   79    HB2  CYS  12           HB2      CYS  12   4.343  -6.985   3.357
   80    HB3  CYS  12           HB3      CYS  12   3.395  -8.256   2.594
   81    H    GLY  13           HN       GLY  13   0.835  -5.807   5.649
   82    HA2  GLY  13           HA1      GLY  13   1.093  -3.909   6.944
   83    HA3  GLY  13           HA2      GLY  13   2.368  -4.874   7.668
   84    HA   PRO  14           HA       PRO  14   4.396  -1.144   5.855
   85    HB2  PRO  14           HB2      PRO  14   5.341  -0.029   8.080
   86    HB3  PRO  14           HB3      PRO  14   3.638   0.143   7.638
   87    HG2  PRO  14           HG2      PRO  14   4.901  -1.671   9.650
   88    HG3  PRO  14           HG3      PRO  14   3.386  -0.758   9.759
   89    HD2  PRO  14           HD2      PRO  14   3.593  -3.452   9.101
   90    HD3  PRO  14           HD3      PRO  14   2.196  -2.418   8.748
   91    H    ASN  15           HN       ASN  15   5.615  -3.325   5.266
   92    HA   ASN  15           HA       ASN  15   8.338  -2.980   6.248
   93    HB2  ASN  15           HB2      ASN  15   7.397  -4.736   7.682
   94    HB3  ASN  15           HB3      ASN  15   6.935  -5.661   6.256
   95   HD21  ASN  15          HD21      ASN  15   9.552  -4.617   8.277
   96   HD22  ASN  15          HD22      ASN  15  10.745  -5.690   7.638
   97    H    ARG  16           HN       ARG  16   6.213  -4.766   4.026
   98    HA   ARG  16           HA       ARG  16   8.408  -4.980   2.106
   99    HB2  ARG  16           HB2      ARG  16   5.637  -6.188   2.109
  100    HB3  ARG  16           HB3      ARG  16   6.828  -6.432   0.839
  101    HG2  ARG  16           HG2      ARG  16   8.337  -7.470   2.479
  102    HG3  ARG  16           HG3      ARG  16   7.096  -7.269   3.719
  103    HD2  ARG  16           HD2      ARG  16   5.581  -8.694   2.462
  104    HD3  ARG  16           HD3      ARG  16   6.772  -8.853   1.173
  105    HE   ARG  16           HE       ARG  16   7.848  -9.695   3.659
  106   HH11  ARG  16          HH12      ARG  16   5.692 -10.695   1.103
  107   HH12  ARG  16          HH11      ARG  16   5.943 -12.386   1.383
  108   HH21  ARG  16          HH22      ARG  16   8.178 -11.918   4.029
  109   HH22  ARG  16          HH21      ARG  16   7.354 -13.080   3.044
  110    HA   PRO  17           HA       PRO  17   6.898  -1.642  -0.353
  111    HB2  PRO  17           HB2      PRO  17   7.859  -2.328  -2.785
  112    HB3  PRO  17           HB3      PRO  17   8.909  -1.776  -1.475
  113    HG2  PRO  17           HG2      PRO  17   8.336  -4.568  -2.393
  114    HG3  PRO  17           HG3      PRO  17   9.889  -3.833  -1.953
  115    HD2  PRO  17           HD2      PRO  17   8.484  -5.421  -0.259
  116    HD3  PRO  17           HD3      PRO  17   9.514  -4.091   0.304
  117    H    CYS  18           HN       CYS  18   5.586  -1.166  -2.312
  118    HA   CYS  18           HA       CYS  18   3.888  -3.377  -3.200
  119    HB2  CYS  18           HB2      CYS  18   3.057  -1.640  -1.204
  120    HB3  CYS  18           HB3      CYS  18   2.334  -0.967  -2.660
  121    H    ARG  19           HN       ARG  19   2.305  -2.515  -4.940
  122    HA   ARG  19           HA       ARG  19   3.892  -0.857  -6.768
  123    HB2  ARG  19           HB2      ARG  19   3.168  -3.154  -7.476
  124    HB3  ARG  19           HB3      ARG  19   1.504  -2.589  -7.419
  125    HG2  ARG  19           HG2      ARG  19   2.305  -2.545  -9.689
  126    HG3  ARG  19           HG3      ARG  19   2.044  -0.895  -9.120
  127    HD2  ARG  19           HD2      ARG  19   4.425  -0.642  -8.700
  128    HD3  ARG  19           HD3      ARG  19   4.707  -2.310  -9.194
  129    HE   ARG  19           HE       ARG  19   3.423  -0.763 -11.229
  130   HH11  ARG  19          HH12      ARG  19   6.509  -1.523  -9.787
  131   HH12  ARG  19          HH11      ARG  19   7.411  -1.144 -11.216
  132   HH21  ARG  19          HH22      ARG  19   4.608  -0.265 -13.110
  133   HH22  ARG  19          HH21      ARG  19   6.332  -0.430 -13.103
  134    H    ASP  20           HN       ASP  20   3.325   1.178  -7.094
  135    HA   ASP  20           HA       ASP  20   0.730   2.122  -6.178
  136    HB2  ASP  20           HB2      ASP  20   3.122   3.642  -7.239
  137    HB3  ASP  20           HB3      ASP  20   1.665   4.375  -6.573
  138    H    THR  21           HN       THR  21  -0.897   2.783  -7.459
  139    HA   THR  21           HA       THR  21  -0.451   2.679 -10.371
  140    HB   THR  21           HB       THR  21  -3.042   2.201  -8.883
  141    HG1  THR  21           HG1      THR  21  -1.132   0.432 -10.028
  142   HG21  THR  21          HG21      THR  21  -3.372   3.112 -11.132
  143   HG22  THR  21          HG22      THR  21  -3.873   1.423 -11.056
  144   HG23  THR  21          HG23      THR  21  -2.334   1.853 -11.801
  145    H    GLY  22           HN       GLY  22  -1.892   4.476  -7.722
  146    HA2  GLY  22           HA1      GLY  22  -1.882   6.878  -9.343
  147    HA3  GLY  22           HA2      GLY  22  -3.478   6.335  -8.851
  148    H    PHE  23           HN       PHE  23  -4.114   7.762  -7.354
  149    HA   PHE  23           HA       PHE  23  -2.218   8.718  -5.347
  150    HB2  PHE  23           HB2      PHE  23  -4.464   9.945  -4.612
  151    HB3  PHE  23           HB3      PHE  23  -3.498  10.525  -5.968
  152    HD1  PHE  23           HD1      PHE  23  -6.528   8.674  -5.019
  153    HD2  PHE  23           HD2      PHE  23  -4.288  10.403  -8.196
  154    HE1  PHE  23           HE1      PHE  23  -8.442   8.366  -6.533
  155    HE2  PHE  23           HE2      PHE  23  -6.199  10.105  -9.712
  156    HZ   PHE  23           HZ       PHE  23  -8.266   9.076  -8.879
  157    H    SME  24           HN       SME  24  -1.846   7.273  -3.771
  158    HA   SME  24           HA       SME  24  -2.189   5.874  -2.011
  159    HB2  SME  24           HB2      SME  24  -4.882   7.245  -1.906
  160    HB3  SME  24           HB1      SME  24  -4.168   6.287  -0.617
  161    HG2  SME  24           HG2      SME  24  -2.350   7.891  -0.413
  162    HG3  SME  24           HG1      SME  24  -3.037   8.844  -1.727
  163    HE1  SME  24           HE1      SME  24  -6.468   9.984  -0.007
  164    HE2  SME  24           HE2      SME  24  -6.228   8.522  -0.965
  165    HE3  SME  24           HE3      SME  24  -5.528  10.051  -1.497
  166    H    SER  25           HN       SER  25  -2.226   4.293  -3.885
  167    HA   SER  25           HA       SER  25  -4.487   2.521  -3.531
  168    HB2  SER  25           HB2      SER  25  -4.850   2.233  -5.966
  169    HB3  SER  25           HB3      SER  25  -5.233   3.870  -5.434
  170    HG   SER  25           HG       SER  25  -3.834   3.487  -7.412
  171    H    CYS  26           HN       CYS  26  -2.408   1.757  -2.431
  172    HA   CYS  26           HA       CYS  26  -0.500   0.509  -4.233
  173    HB2  CYS  26           HB2      CYS  26  -0.618   0.599  -1.216
  174    HB3  CYS  26           HB3      CYS  26   0.709  -0.068  -2.160
  175    H    ASP  27           HN       ASP  27  -0.827  -1.446  -5.003
  176    HA   ASP  27           HA       ASP  27  -2.302  -3.395  -3.356
  177    HB2  ASP  27           HB2      ASP  27  -2.361  -3.112  -6.369
  178    HB3  ASP  27           HB3      ASP  27  -3.170  -4.377  -5.448
  179    H    CYS  28           HN       CYS  28  -0.963  -4.922  -2.675
  180    HA   CYS  28           HA       CYS  28   1.449  -5.533  -4.186
  181    HB2  CYS  28           HB2      CYS  28   0.482  -6.240  -1.425
  182    HB3  CYS  28           HB3      CYS  28   1.864  -7.056  -2.145
  Start of MODEL    6
    1    H1   PHE   1           H1       PHE   1  -9.669  -0.040   0.136
    2    H2   PHE   1           H2       PHE   1  -8.345   0.012  -0.914
    3    H3   PHE   1           H3       PHE   1  -9.316   1.381  -0.710
    4    HA   PHE   1           HA       PHE   1  -8.641   1.571   1.585
    5    HB2  PHE   1           HB2      PHE   1  -6.690   0.141   2.317
    6    HB3  PHE   1           HB3      PHE   1  -8.224  -0.708   2.157
    7    HD1  PHE   1           HD1      PHE   1  -4.973  -0.090   0.513
    8    HD2  PHE   1           HD2      PHE   1  -8.465  -2.515   0.676
    9    HE1  PHE   1           HE1      PHE   1  -3.909  -1.717  -0.995
   10    HE2  PHE   1           HE2      PHE   1  -7.407  -4.148  -0.831
   11    HZ   PHE   1           HZ       PHE   1  -5.125  -3.749  -1.668
   12    H    PHE   2           HN       PHE   2  -7.323   3.254   1.809
   13    HA   PHE   2           HA       PHE   2  -5.548   3.927  -0.395
   14    HB2  PHE   2           HB2      PHE   2  -5.414   6.138   0.710
   15    HB3  PHE   2           HB3      PHE   2  -7.075   5.648   0.400
   16    HD1  PHE   2           HD1      PHE   2  -4.533   6.207   2.975
   17    HD2  PHE   2           HD2      PHE   2  -8.582   5.148   2.203
   18    HE1  PHE   2           HE1      PHE   2  -5.074   6.561   5.349
   19    HE2  PHE   2           HE2      PHE   2  -9.131   5.501   4.575
   20    HZ   PHE   2           HZ       PHE   2  -7.376   6.208   6.151
   21    H    CYS   3           HN       CYS   3  -3.353   4.082  -0.274
   22    HA   CYS   3           HA       CYS   3  -2.125   3.099   2.202
   23    HB2  CYS   3           HB2      CYS   3  -0.237   2.409   0.880
   24    HB3  CYS   3           HB3      CYS   3  -1.700   1.824   0.100
   25    HA   PRO   4           HA       PRO   4  -0.520   7.244   2.673
   26    HB2  PRO   4           HB2      PRO   4   0.624   6.937   5.069
   27    HB3  PRO   4           HB3      PRO   4  -1.134   6.935   4.885
   28    HG2  PRO   4           HG2      PRO   4   0.739   4.633   5.232
   29    HG3  PRO   4           HG3      PRO   4  -0.864   4.890   5.940
   30    HD2  PRO   4           HD2      PRO   4  -0.347   3.312   3.725
   31    HD3  PRO   4           HD3      PRO   4  -1.927   4.014   4.122
   32    H    PHE   5           HN       PHE   5   1.391   4.324   2.769
   33    HA   PHE   5           HA       PHE   5   3.695   5.835   1.776
   34    HB2  PHE   5           HB2      PHE   5   4.034   3.649   3.827
   35    HB3  PHE   5           HB3      PHE   5   5.236   4.804   3.260
   36    HD1  PHE   5           HD2      PHE   5   4.861   7.267   3.825
   37    HD2  PHE   5           HD1      PHE   5   2.779   4.082   5.728
   38    HE1  PHE   5           HE2      PHE   5   4.306   8.757   5.703
   39    HE2  PHE   5           HE1      PHE   5   2.218   5.565   7.608
   40    HZ   PHE   5           HZ       PHE   5   2.982   7.905   7.598
   41    H    GLY   6           HN       GLY   6   2.614   2.530   2.565
   42    HA2  GLY   6           HA1      GLY   6   2.882   1.702  -0.181
   43    HA3  GLY   6           HA2      GLY   6   4.126   1.041   0.868
   44    H    CYS   7           HN       CYS   7   3.675  -0.713   2.068
   45    HA   CYS   7           HA       CYS   7   1.042  -1.912   1.746
   46    HB2  CYS   7           HB2      CYS   7   3.061  -3.264   1.314
   47    HB3  CYS   7           HB3      CYS   7   3.565  -3.038   2.984
   48    H    ALA   8           HN       ALA   8   1.088   0.358   3.414
   49    HA   ALA   8           HA       ALA   8   1.420   0.058   6.106
   50    HB1  ALA   8           HB1      ALA   8   0.704   2.140   5.038
   51    HB2  ALA   8           HB2      ALA   8  -0.895   1.451   4.768
   52    HB3  ALA   8           HB3      ALA   8  -0.323   1.729   6.412
   53    H    LEU   9           HN       LEU   9  -1.661  -0.592   4.420
   54    HA   LEU   9           HA       LEU   9  -2.184  -2.749   6.334
   55    HB2  LEU   9           HB2      LEU   9  -4.142  -0.558   5.635
   56    HB3  LEU   9           HB3      LEU   9  -4.528  -1.991   6.569
   57    HG   LEU   9           HG       LEU   9  -2.550   0.133   7.402
   58   HD11  LEU   9          HD11      LEU   9  -4.837   0.975   7.414
   59   HD12  LEU   9          HD12      LEU   9  -5.353  -0.416   8.368
   60   HD13  LEU   9          HD13      LEU   9  -4.233   0.759   9.058
   61   HD21  LEU   9          HD21      LEU   9  -2.561  -1.010   9.550
   62   HD22  LEU   9          HD22      LEU   9  -3.661  -2.231   8.909
   63   HD23  LEU   9          HD23      LEU   9  -2.024  -2.097   8.268
   64    H    VAL  10           HN       VAL  10  -1.290  -3.304   3.877
   65    HA   VAL  10           HA       VAL  10  -3.654  -3.864   2.234
   66    HB   VAL  10           HB       VAL  10  -0.730  -3.980   1.472
   67   HG11  VAL  10          HG11      VAL  10  -3.212  -4.341  -0.206
   68   HG12  VAL  10          HG12      VAL  10  -1.567  -4.219  -0.830
   69   HG13  VAL  10          HG13      VAL  10  -2.023  -5.583   0.189
   70   HG21  VAL  10          HG21      VAL  10  -2.873  -1.978   0.778
   71   HG22  VAL  10          HG22      VAL  10  -1.509  -1.710   1.862
   72   HG23  VAL  10          HG23      VAL  10  -1.228  -1.988   0.144
   73    H    ASP  11           HN       ASP  11  -0.635  -5.714   2.167
   74    HA   ASP  11           HA       ASP  11  -1.882  -7.982   3.473
   75    HB2  ASP  11           HB2      ASP  11  -1.019  -8.076   0.576
   76    HB3  ASP  11           HB3      ASP  11  -1.423  -9.490   1.544
   77    H    CYS  12           HN       CYS  12   0.325  -6.375   4.182
   78    HA   CYS  12           HA       CYS  12   2.251  -8.339   4.753
   79    HB2  CYS  12           HB2      CYS  12   4.129  -7.179   3.382
   80    HB3  CYS  12           HB3      CYS  12   3.074  -8.340   2.587
   81    H    GLY  13           HN       GLY  13   0.783  -5.870   5.804
   82    HA2  GLY  13           HA1      GLY  13   1.197  -4.087   7.202
   83    HA3  GLY  13           HA2      GLY  13   2.503  -5.102   7.794
   84    HA   PRO  14           HA       PRO  14   4.302  -1.262   5.820
   85    HB2  PRO  14           HB2      PRO  14   5.485  -0.201   7.989
   86    HB3  PRO  14           HB3      PRO  14   3.780   0.088   7.621
   87    HG2  PRO  14           HG2      PRO  14   4.999  -1.838   9.563
   88    HG3  PRO  14           HG3      PRO  14   3.591  -0.781   9.771
   89    HD2  PRO  14           HD2      PRO  14   3.407  -3.441   9.169
   90    HD3  PRO  14           HD3      PRO  14   2.183  -2.244   8.704
   91    H    ASN  15           HN       ASN  15   5.358  -3.624   5.290
   92    HA   ASN  15           HA       ASN  15   8.184  -3.312   6.020
   93    HB2  ASN  15           HB2      ASN  15   7.256  -5.121   7.406
   94    HB3  ASN  15           HB3      ASN  15   6.699  -5.948   5.953
   95   HD21  ASN  15          HD21      ASN  15   7.920  -7.769   6.377
   96   HD22  ASN  15          HD22      ASN  15   9.638  -7.794   6.204
   97    H    ARG  16           HN       ARG  16   6.009  -5.208   3.909
   98    HA   ARG  16           HA       ARG  16   8.035  -5.210   1.822
   99    HB2  ARG  16           HB2      ARG  16   5.292  -6.480   1.934
  100    HB3  ARG  16           HB3      ARG  16   6.429  -6.666   0.606
  101    HG2  ARG  16           HG2      ARG  16   6.901  -7.538   3.449
  102    HG3  ARG  16           HG3      ARG  16   6.453  -8.591   2.106
  103    HD2  ARG  16           HD2      ARG  16   8.965  -6.934   2.295
  104    HD3  ARG  16           HD3      ARG  16   8.858  -8.673   2.552
  105    HE   ARG  16           HE       ARG  16   8.759  -7.265   0.013
  106   HH11  ARG  16          HH12      ARG  16   8.294 -10.282   1.715
  107   HH12  ARG  16          HH11      ARG  16   8.443 -11.250   0.288
  108   HH21  ARG  16          HH22      ARG  16   8.951  -8.541  -1.860
  109   HH22  ARG  16          HH21      ARG  16   8.815 -10.264  -1.740
  110    HA   PRO  17           HA       PRO  17   6.113  -1.732  -0.186
  111    HB2  PRO  17           HB2      PRO  17   7.674  -1.595  -2.349
  112    HB3  PRO  17           HB3      PRO  17   8.305  -1.222  -0.740
  113    HG2  PRO  17           HG2      PRO  17   8.597  -3.724  -2.356
  114    HG3  PRO  17           HG3      PRO  17   9.809  -2.873  -1.382
  115    HD2  PRO  17           HD2      PRO  17   8.408  -5.089  -0.534
  116    HD3  PRO  17           HD3      PRO  17   9.136  -3.888   0.551
  117    H    CYS  18           HN       CYS  18   4.643  -1.312  -1.804
  118    HA   CYS  18           HA       CYS  18   3.981  -3.550  -3.606
  119    HB2  CYS  18           HB2      CYS  18   2.076  -1.625  -2.260
  120    HB3  CYS  18           HB3      CYS  18   1.614  -2.849  -3.434
  121    H    ARG  19           HN       ARG  19   2.621  -2.788  -5.511
  122    HA   ARG  19           HA       ARG  19   3.899  -0.402  -6.632
  123    HB2  ARG  19           HB2      ARG  19   2.726  -2.887  -7.779
  124    HB3  ARG  19           HB3      ARG  19   2.657  -1.427  -8.755
  125    HG2  ARG  19           HG2      ARG  19   4.606  -2.696  -9.344
  126    HG3  ARG  19           HG3      ARG  19   5.103  -1.205  -8.544
  127    HD2  ARG  19           HD2      ARG  19   4.751  -3.702  -6.942
  128    HD3  ARG  19           HD3      ARG  19   6.212  -3.481  -7.906
  129    HE   ARG  19           HE       ARG  19   5.534  -1.282  -6.150
  130   HH11  ARG  19          HH12      ARG  19   7.341  -4.245  -6.543
  131   HH12  ARG  19          HH11      ARG  19   8.493  -3.848  -5.313
  132   HH21  ARG  19          HH22      ARG  19   7.051  -0.763  -4.534
  133   HH22  ARG  19          HH21      ARG  19   8.330  -1.874  -4.175
  134    H    ASP  20           HN       ASP  20   2.818   1.430  -6.876
  135    HA   ASP  20           HA       ASP  20  -0.128   1.345  -6.790
  136    HB2  ASP  20           HB2      ASP  20  -0.040   3.605  -5.805
  137    HB3  ASP  20           HB3      ASP  20   0.804   2.426  -4.805
  138    H    THR  21           HN       THR  21  -1.279   2.544  -8.274
  139    HA   THR  21           HA       THR  21   0.318   3.726 -10.451
  140    HB   THR  21           HB       THR  21  -2.460   2.546 -10.645
  141    HG1  THR  21           HG1      THR  21  -1.241   0.922 -11.895
  142   HG21  THR  21          HG21      THR  21  -2.107   2.727 -13.067
  143   HG22  THR  21          HG22      THR  21  -0.551   3.507 -12.782
  144   HG23  THR  21          HG23      THR  21  -2.042   4.308 -12.289
  145    H    GLY  22           HN       GLY  22  -2.062   4.363  -8.055
  146    HA2  GLY  22           HA1      GLY  22  -2.485   7.028  -9.254
  147    HA3  GLY  22           HA2      GLY  22  -3.820   6.128  -8.554
  148    H    PHE  23           HN       PHE  23  -4.182   7.918  -7.149
  149    HA   PHE  23           HA       PHE  23  -2.128   8.587  -5.204
  150    HB2  PHE  23           HB2      PHE  23  -4.256   9.891  -4.247
  151    HB3  PHE  23           HB3      PHE  23  -3.323  10.503  -5.612
  152    HD1  PHE  23           HD1      PHE  23  -6.404   8.737  -4.639
  153    HD2  PHE  23           HD2      PHE  23  -4.244  10.628  -7.779
  154    HE1  PHE  23           HE1      PHE  23  -8.408   8.657  -6.062
  155    HE2  PHE  23           HE2      PHE  23  -6.244  10.558  -9.204
  156    HZ   PHE  23           HZ       PHE  23  -8.318   9.563  -8.347
  157    H    SME  24           HN       SME  24  -1.734   7.085  -3.707
  158    HA   SME  24           HA       SME  24  -2.030   5.691  -1.936
  159    HB2  SME  24           HB2      SME  24  -4.807   6.876  -1.782
  160    HB3  SME  24           HB1      SME  24  -3.973   5.995  -0.510
  161    HG2  SME  24           HG2      SME  24  -2.298   7.759  -0.373
  162    HG3  SME  24           HG1      SME  24  -3.118   8.639  -1.662
  163    HE1  SME  24           HE1      SME  24  -6.240   7.995  -0.757
  164    HE2  SME  24           HE2      SME  24  -5.717   9.574  -1.345
  165    HE3  SME  24           HE3      SME  24  -6.582   9.444   0.187
  166    H    SER  25           HN       SER  25  -1.948   4.103  -3.744
  167    HA   SER  25           HA       SER  25  -4.186   2.278  -3.519
  168    HB2  SER  25           HB2      SER  25  -3.233   3.279  -6.218
  169    HB3  SER  25           HB3      SER  25  -4.376   1.961  -5.965
  170    HG   SER  25           HG       SER  25  -5.825   3.476  -5.979
  171    H    CYS  26           HN       CYS  26  -2.134   1.632  -2.264
  172    HA   CYS  26           HA       CYS  26  -0.098   0.367  -3.908
  173    HB2  CYS  26           HB2      CYS  26  -0.377   0.544  -0.903
  174    HB3  CYS  26           HB3      CYS  26   1.026  -0.073  -1.767
  175    H    ASP  27           HN       ASP  27  -0.339  -1.632  -4.609
  176    HA   ASP  27           HA       ASP  27  -1.625  -3.613  -2.869
  177    HB2  ASP  27           HB2      ASP  27  -2.233  -3.292  -5.817
  178    HB3  ASP  27           HB3      ASP  27  -2.877  -4.543  -4.758
  179    H    CYS  28           HN       CYS  28  -0.320  -5.290  -2.587
  180    HA   CYS  28           HA       CYS  28   1.902  -5.716  -4.416
  181    HB2  CYS  28           HB2      CYS  28   1.212  -6.727  -1.676
  182    HB3  CYS  28           HB3      CYS  28   2.434  -7.548  -2.640
  Start of MODEL    7
    1    H1   PHE   1           H1       PHE   1  -8.307   0.070  -1.377
    2    H2   PHE   1           H2       PHE   1  -9.271   1.367  -0.877
    3    H3   PHE   1           H3       PHE   1  -9.600  -0.195  -0.319
    4    HA   PHE   1           HA       PHE   1  -8.520   1.123   1.380
    5    HB2  PHE   1           HB2      PHE   1  -6.582  -0.445   1.785
    6    HB3  PHE   1           HB3      PHE   1  -8.135  -1.229   1.509
    7    HD1  PHE   1           HD1      PHE   1  -4.948  -0.303  -0.135
    8    HD2  PHE   1           HD2      PHE   1  -8.402  -2.785  -0.213
    9    HE1  PHE   1           HE1      PHE   1  -3.946  -1.632  -1.946
   10    HE2  PHE   1           HE2      PHE   1  -7.407  -4.121  -2.023
   11    HZ   PHE   1           HZ       PHE   1  -5.176  -3.545  -2.893
   12    H    PHE   2           HN       PHE   2  -7.173   2.729   1.863
   13    HA   PHE   2           HA       PHE   2  -5.417   3.737  -0.226
   14    HB2  PHE   2           HB2      PHE   2  -5.217   5.726   1.230
   15    HB3  PHE   2           HB3      PHE   2  -6.892   5.330   0.865
   16    HD1  PHE   2           HD1      PHE   2  -4.322   5.428   3.463
   17    HD2  PHE   2           HD2      PHE   2  -8.388   4.539   2.577
   18    HE1  PHE   2           HE1      PHE   2  -4.833   5.391   5.870
   19    HE2  PHE   2           HE2      PHE   2  -8.907   4.501   4.982
   20    HZ   PHE   2           HZ       PHE   2  -7.129   4.928   6.632
   21    H    CYS   3           HN       CYS   3  -3.217   4.072   0.000
   22    HA   CYS   3           HA       CYS   3  -1.909   3.047   2.412
   23    HB2  CYS   3           HB2      CYS   3  -0.879   2.265  -0.306
   24    HB3  CYS   3           HB3      CYS   3  -0.501   1.554   1.260
   25    HA   PRO   4           HA       PRO   4   0.345   6.813   1.619
   26    HB2  PRO   4           HB2      PRO   4   2.041   6.713   3.701
   27    HB3  PRO   4           HB3      PRO   4   0.319   7.053   3.911
   28    HG2  PRO   4           HG2      PRO   4   1.811   4.495   4.327
   29    HG3  PRO   4           HG3      PRO   4   0.538   5.224   5.322
   30    HD2  PRO   4           HD2      PRO   4   0.096   3.203   3.525
   31    HD3  PRO   4           HD3      PRO   4  -1.140   4.379   4.010
   32    H    PHE   5           HN       PHE   5   2.272   3.933   2.496
   33    HA   PHE   5           HA       PHE   5   4.176   4.697   0.382
   34    HB2  PHE   5           HB2      PHE   5   5.145   3.251   2.818
   35    HB3  PHE   5           HB3      PHE   5   6.027   4.309   1.723
   36    HD1  PHE   5           HD1      PHE   5   5.621   6.790   1.847
   37    HD2  PHE   5           HD2      PHE   5   4.178   4.069   4.784
   38    HE1  PHE   5           HE1      PHE   5   5.325   8.655   3.426
   39    HE2  PHE   5           HE2      PHE   5   3.880   5.928   6.367
   40    HZ   PHE   5           HZ       PHE   5   4.450   8.223   5.689
   41    H    GLY   6           HN       GLY   6   3.723   1.941   2.599
   42    HA2  GLY   6           HA1      GLY   6   3.855   0.165   0.247
   43    HA3  GLY   6           HA2      GLY   6   4.310  -0.296   1.883
   44    H    CYS   7           HN       CYS   7   2.883  -1.486   2.956
   45    HA   CYS   7           HA       CYS   7   0.181  -1.730   1.914
   46    HB2  CYS   7           HB2      CYS   7   1.636  -3.233   4.091
   47    HB3  CYS   7           HB3      CYS   7  -0.019  -3.567   3.599
   48    H    ALA   8           HN       ALA   8   1.335  -1.696   5.261
   49    HA   ALA   8           HA       ALA   8   0.668  -0.529   7.103
   50    HB1  ALA   8           HB1      ALA   8  -0.333   1.622   6.900
   51    HB2  ALA   8           HB2      ALA   8   0.825   1.462   5.579
   52    HB3  ALA   8           HB3      ALA   8  -0.902   1.274   5.268
   53    H    LEU   9           HN       LEU   9  -0.486  -2.615   7.355
   54    HA   LEU   9           HA       LEU   9  -2.297  -3.760   8.110
   55    HB2  LEU   9           HB2      LEU   9  -3.734  -1.109   7.936
   56    HB3  LEU   9           HB3      LEU   9  -4.300  -2.535   8.784
   57    HG   LEU   9           HG       LEU   9  -1.860  -0.905   9.492
   58   HD11  LEU   9          HD11      LEU   9  -4.519  -1.221  10.878
   59   HD12  LEU   9          HD12      LEU   9  -3.132  -0.324  11.497
   60   HD13  LEU   9          HD13      LEU   9  -3.950   0.219  10.033
   61   HD21  LEU   9          HD21      LEU   9  -1.521  -3.269   9.974
   62   HD22  LEU   9          HD22      LEU   9  -1.722  -2.346  11.464
   63   HD23  LEU   9          HD23      LEU   9  -3.055  -3.322  10.843
   64    H    VAL  10           HN       VAL  10  -1.706  -3.503   5.279
   65    HA   VAL  10           HA       VAL  10  -4.397  -3.769   4.122
   66    HB   VAL  10           HB       VAL  10  -1.779  -3.319   2.684
   67   HG11  VAL  10          HG11      VAL  10  -3.182  -2.917   0.715
   68   HG12  VAL  10          HG12      VAL  10  -3.376  -4.559   1.327
   69   HG13  VAL  10          HG13      VAL  10  -4.613  -3.346   1.652
   70   HG21  VAL  10          HG21      VAL  10  -2.629  -1.413   4.084
   71   HG22  VAL  10          HG22      VAL  10  -2.456  -1.064   2.363
   72   HG23  VAL  10          HG23      VAL  10  -4.052  -1.381   3.043
   73    H    ASP  11           HN       ASP  11  -1.240  -5.124   3.139
   74    HA   ASP  11           HA       ASP  11  -2.217  -7.813   3.618
   75    HB2  ASP  11           HB2      ASP  11  -3.052  -7.184   1.342
   76    HB3  ASP  11           HB3      ASP  11  -1.376  -6.985   0.837
   77    H    CYS  12           HN       CYS  12  -0.068  -6.262   4.698
   78    HA   CYS  12           HA       CYS  12   1.969  -8.134   4.766
   79    HB2  CYS  12           HB2      CYS  12   3.634  -7.469   3.284
   80    HB3  CYS  12           HB3      CYS  12   2.182  -7.256   2.321
   81    H    GLY  13           HN       GLY  13   0.998  -4.807   5.066
   82    HA2  GLY  13           HA1      GLY  13   1.288  -3.453   6.947
   83    HA3  GLY  13           HA2      GLY  13   2.473  -4.601   7.560
   84    HA   PRO  14           HA       PRO  14   4.640  -0.836   5.764
   85    HB2  PRO  14           HB2      PRO  14   5.993  -0.122   8.003
   86    HB3  PRO  14           HB3      PRO  14   4.364   0.465   7.640
   87    HG2  PRO  14           HG2      PRO  14   5.216  -1.756   9.459
   88    HG3  PRO  14           HG3      PRO  14   3.996  -0.497   9.727
   89    HD2  PRO  14           HD2      PRO  14   3.353  -3.023   8.983
   90    HD3  PRO  14           HD3      PRO  14   2.397  -1.609   8.494
   91    H    ASN  15           HN       ASN  15   5.437  -3.160   4.947
   92    HA   ASN  15           HA       ASN  15   8.283  -3.248   5.610
   93    HB2  ASN  15           HB2      ASN  15   6.505  -5.694   5.555
   94    HB3  ASN  15           HB3      ASN  15   8.260  -5.716   5.697
   95   HD21  ASN  15          HD21      ASN  15   5.261  -5.015   7.291
   96   HD22  ASN  15          HD22      ASN  15   5.906  -4.880   8.888
   97    H    ARG  16           HN       ARG  16   5.939  -5.050   3.596
   98    HA   ARG  16           HA       ARG  16   7.830  -5.005   1.386
   99    HB2  ARG  16           HB2      ARG  16   5.075  -6.240   1.432
  100    HB3  ARG  16           HB3      ARG  16   6.378  -6.578   0.304
  101    HG2  ARG  16           HG2      ARG  16   7.683  -7.606   2.059
  102    HG3  ARG  16           HG3      ARG  16   6.448  -7.191   3.250
  103    HD2  ARG  16           HD2      ARG  16   4.833  -8.587   2.016
  104    HD3  ARG  16           HD3      ARG  16   6.112  -9.041   0.892
  105    HE   ARG  16           HE       ARG  16   7.114  -9.713   3.328
  106   HH11  ARG  16          HH12      ARG  16   4.168 -10.476   1.618
  107   HH12  ARG  16          HH11      ARG  16   3.993 -12.031   2.360
  108   HH21  ARG  16          HH22      ARG  16   6.885 -11.758   4.305
  109   HH22  ARG  16          HH21      ARG  16   5.534 -12.759   3.885
  110    HA   PRO  17           HA       PRO  17   5.675  -1.320  -0.102
  111    HB2  PRO  17           HB2      PRO  17   7.439  -0.739  -2.073
  112    HB3  PRO  17           HB3      PRO  17   7.748  -0.359  -0.374
  113    HG2  PRO  17           HG2      PRO  17   8.732  -2.668  -2.009
  114    HG3  PRO  17           HG3      PRO  17   9.623  -1.652  -0.859
  115    HD2  PRO  17           HD2      PRO  17   8.679  -4.108  -0.211
  116    HD3  PRO  17           HD3      PRO  17   8.806  -2.790   0.972
  117    H    CYS  18           HN       CYS  18   4.222  -1.019  -1.716
  118    HA   CYS  18           HA       CYS  18   4.070  -3.107  -3.785
  119    HB2  CYS  18           HB2      CYS  18   1.879  -1.339  -2.682
  120    HB3  CYS  18           HB3      CYS  18   1.670  -2.572  -3.918
  121    H    ARG  19           HN       ARG  19   2.780  -2.263  -5.771
  122    HA   ARG  19           HA       ARG  19   4.254   0.040  -6.764
  123    HB2  ARG  19           HB2      ARG  19   2.456  -1.962  -8.138
  124    HB3  ARG  19           HB3      ARG  19   3.224  -0.613  -8.962
  125    HG2  ARG  19           HG2      ARG  19   4.518  -2.576  -9.356
  126    HG3  ARG  19           HG3      ARG  19   5.430  -1.522  -8.275
  127    HD2  ARG  19           HD2      ARG  19   4.880  -2.863  -6.382
  128    HD3  ARG  19           HD3      ARG  19   3.716  -3.803  -7.313
  129    HE   ARG  19           HE       ARG  19   6.364  -3.961  -8.379
  130   HH11  ARG  19          HH12      ARG  19   4.223  -5.249  -5.944
  131   HH12  ARG  19          HH11      ARG  19   5.064  -6.757  -5.822
  132   HH21  ARG  19          HH22      ARG  19   7.474  -5.944  -8.220
  133   HH22  ARG  19          HH21      ARG  19   6.911  -7.152  -7.113
  134    H    ASP  20           HN       ASP  20   3.424   2.017  -6.863
  135    HA   ASP  20           HA       ASP  20   0.605   2.405  -6.257
  136    HB2  ASP  20           HB2      ASP  20   1.207   4.790  -6.059
  137    HB3  ASP  20           HB3      ASP  20   2.233   3.771  -5.056
  138    H    THR  21           HN       THR  21  -0.901   2.899  -7.708
  139    HA   THR  21           HA       THR  21  -0.029   3.528 -10.448
  140    HB   THR  21           HB       THR  21  -1.297   1.456 -10.314
  141    HG1  THR  21           HG1      THR  21  -1.647   3.051 -12.078
  142   HG21  THR  21          HG21      THR  21  -3.505   3.145  -9.130
  143   HG22  THR  21          HG22      THR  21  -2.568   1.919  -8.276
  144   HG23  THR  21          HG23      THR  21  -3.642   1.448  -9.593
  145    H    GLY  22           HN       GLY  22  -1.963   4.613  -7.762
  146    HA2  GLY  22           HA1      GLY  22  -2.410   7.137  -9.174
  147    HA3  GLY  22           HA2      GLY  22  -3.824   6.289  -8.570
  148    H    PHE  23           HN       PHE  23  -4.512   7.599  -6.978
  149    HA   PHE  23           HA       PHE  23  -2.599   8.687  -5.057
  150    HB2  PHE  23           HB2      PHE  23  -4.926   9.576  -4.102
  151    HB3  PHE  23           HB3      PHE  23  -4.127  10.350  -5.468
  152    HD1  PHE  23           HD1      PHE  23  -6.850   8.098  -4.464
  153    HD2  PHE  23           HD2      PHE  23  -5.035  10.247  -7.655
  154    HE1  PHE  23           HE1      PHE  23  -8.810   7.647  -5.879
  155    HE2  PHE  23           HE2      PHE  23  -6.993   9.806  -9.073
  156    HZ   PHE  23           HZ       PHE  23  -8.871   8.497  -8.185
  157    H    SME  24           HN       SME  24  -1.948   7.308  -3.535
  158    HA   SME  24           HA       SME  24  -1.971   5.818  -1.821
  159    HB2  SME  24           HB2      SME  24  -4.752   6.950  -1.607
  160    HB3  SME  24           HB1      SME  24  -4.161   5.733  -0.486
  161    HG2  SME  24           HG2      SME  24  -3.866   7.857   0.527
  162    HG3  SME  24           HG1      SME  24  -2.274   7.256   0.068
  163    HE1  SME  24           HE1      SME  24  -4.492  10.605  -2.244
  164    HE2  SME  24           HE2      SME  24  -5.111   9.902  -0.749
  165    HE3  SME  24           HE3      SME  24  -5.067   8.937  -2.225
  166    H    SER  25           HN       SER  25  -1.706   4.157  -3.482
  167    HA   SER  25           HA       SER  25  -3.786   2.148  -3.237
  168    HB2  SER  25           HB2      SER  25  -4.428   3.316  -5.292
  169    HB3  SER  25           HB3      SER  25  -2.800   3.104  -5.937
  170    HG   SER  25           HG       SER  25  -4.565   0.994  -5.232
  171    H    CYS  26           HN       CYS  26  -2.547   0.663  -2.248
  172    HA   CYS  26           HA       CYS  26   0.096   0.070  -3.381
  173    HB2  CYS  26           HB2      CYS  26   0.619  -0.993  -1.249
  174    HB3  CYS  26           HB3      CYS  26   0.060   0.654  -0.991
  175    H    ASP  27           HN       ASP  27  -0.038  -1.453  -4.889
  176    HA   ASP  27           HA       ASP  27  -1.628  -3.862  -4.284
  177    HB2  ASP  27           HB2      ASP  27  -1.057  -2.643  -6.994
  178    HB3  ASP  27           HB3      ASP  27  -1.928  -4.148  -6.719
  179    H    CYS  28           HN       CYS  28  -0.080  -5.192  -3.478
  180    HA   CYS  28           HA       CYS  28   2.471  -5.459  -4.851
  181    HB2  CYS  28           HB2      CYS  28   1.358  -6.496  -2.263
  182    HB3  CYS  28           HB3      CYS  28   2.801  -7.223  -2.961
  Start of MODEL    8
    1    H1   PHE   1           H1       PHE   1  -9.638   0.381  -1.792
    2    H2   PHE   1           H2       PHE   1  -9.962  -1.062  -0.971
    3    H3   PHE   1           H3       PHE   1  -8.498  -0.870  -1.795
    4    HA   PHE   1           HA       PHE   1  -9.370   0.686   0.568
    5    HB2  PHE   1           HB2      PHE   1  -7.488  -0.512   1.699
    6    HB3  PHE   1           HB3      PHE   1  -8.819  -1.563   1.230
    7    HD1  PHE   1           HD2      PHE   1  -8.568  -3.138  -0.616
    8    HD2  PHE   1           HD1      PHE   1  -5.325  -0.711   0.690
    9    HE1  PHE   1           HE2      PHE   1  -6.997  -4.588  -1.834
   10    HE2  PHE   1           HE1      PHE   1  -3.749  -2.156  -0.526
   11    HZ   PHE   1           HZ       PHE   1  -4.584  -4.098  -1.790
   12    H    PHE   2           HN       PHE   2  -8.138   2.405   1.111
   13    HA   PHE   2           HA       PHE   2  -6.230   3.332  -0.882
   14    HB2  PHE   2           HB2      PHE   2  -7.314   4.738   1.570
   15    HB3  PHE   2           HB3      PHE   2  -6.369   5.480   0.282
   16    HD1  PHE   2           HD2      PHE   2  -9.576   3.735   0.956
   17    HD2  PHE   2           HD1      PHE   2  -7.418   6.379  -1.582
   18    HE1  PHE   2           HE2      PHE   2 -11.649   4.247  -0.266
   19    HE2  PHE   2           HE1      PHE   2  -9.487   6.899  -2.809
   20    HZ   PHE   2           HZ       PHE   2 -11.606   5.830  -2.151
   21    H    CYS   3           HN       CYS   3  -4.073   3.561  -0.564
   22    HA   CYS   3           HA       CYS   3  -3.008   2.548   1.979
   23    HB2  CYS   3           HB2      CYS   3  -0.979   2.020   0.789
   24    HB3  CYS   3           HB3      CYS   3  -2.343   1.380  -0.121
   25    HA   PRO   4           HA       PRO   4  -1.567   6.699   2.743
   26    HB2  PRO   4           HB2      PRO   4  -0.483   6.303   5.150
   27    HB3  PRO   4           HB3      PRO   4  -2.232   6.207   4.908
   28    HG2  PRO   4           HG2      PRO   4  -0.233   4.009   5.197
   29    HG3  PRO   4           HG3      PRO   4  -1.885   4.115   5.829
   30    HD2  PRO   4           HD2      PRO   4  -1.118   2.741   3.530
   31    HD3  PRO   4           HD3      PRO   4  -2.773   3.245   3.922
   32    H    PHE   5           HN       PHE   5   0.478   3.890   2.606
   33    HA   PHE   5           HA       PHE   5   2.721   5.579   1.804
   34    HB2  PHE   5           HB2      PHE   5   3.151   3.328   3.763
   35    HB3  PHE   5           HB3      PHE   5   4.290   4.580   3.279
   36    HD1  PHE   5           HD2      PHE   5   3.729   6.992   3.932
   37    HD2  PHE   5           HD1      PHE   5   1.848   3.589   5.660
   38    HE1  PHE   5           HE2      PHE   5   3.042   8.355   5.863
   39    HE2  PHE   5           HE1      PHE   5   1.157   4.945   7.592
   40    HZ   PHE   5           HZ       PHE   5   1.753   7.330   7.694
   41    H    GLY   6           HN       GLY   6   2.130   2.136   2.530
   42    HA2  GLY   6           HA1      GLY   6   2.333   1.434  -0.270
   43    HA3  GLY   6           HA2      GLY   6   3.702   0.917   0.704
   44    H    CYS   7           HN       CYS   7   3.552  -0.926   1.836
   45    HA   CYS   7           HA       CYS   7   1.088  -2.455   1.600
   46    HB2  CYS   7           HB2      CYS   7   3.231  -3.519   1.021
   47    HB3  CYS   7           HB3      CYS   7   3.809  -3.252   2.658
   48    H    ALA   8           HN       ALA   8   1.860  -0.155   3.632
   49    HA   ALA   8           HA       ALA   8   1.926  -1.067   6.217
   50    HB1  ALA   8           HB1      ALA   8   2.098   1.289   5.617
   51    HB2  ALA   8           HB2      ALA   8   0.385   1.313   5.195
   52    HB3  ALA   8           HB3      ALA   8   0.878   1.038   6.866
   53    H    LEU   9           HN       LEU   9  -1.123   0.083   4.785
   54    HA   LEU   9           HA       LEU   9  -2.559  -1.803   6.503
   55    HB2  LEU   9           HB2      LEU   9  -3.482   0.602   4.933
   56    HB3  LEU   9           HB3      LEU   9  -4.571  -0.465   5.800
   57    HG   LEU   9           HG       LEU   9  -3.413   0.117   7.914
   58   HD11  LEU   9          HD11      LEU   9  -1.866   1.956   6.105
   59   HD12  LEU   9          HD12      LEU   9  -1.965   2.170   7.852
   60   HD13  LEU   9          HD13      LEU   9  -1.238   0.710   7.184
   61   HD21  LEU   9          HD21      LEU   9  -4.329   2.377   8.097
   62   HD22  LEU   9          HD22      LEU   9  -4.472   2.462   6.342
   63   HD23  LEU   9          HD23      LEU   9  -5.437   1.299   7.249
   64    H    VAL  10           HN       VAL  10  -1.159  -2.737   4.149
   65    HA   VAL  10           HA       VAL  10  -3.372  -3.411   2.351
   66    HB   VAL  10           HB       VAL  10  -0.403  -3.780   1.925
   67   HG11  VAL  10          HG11      VAL  10  -1.116  -4.191  -0.448
   68   HG12  VAL  10          HG12      VAL  10  -1.552  -5.463   0.692
   69   HG13  VAL  10          HG13      VAL  10  -2.771  -4.314   0.144
   70   HG21  VAL  10          HG21      VAL  10  -1.000  -1.444   1.919
   71   HG22  VAL  10          HG22      VAL  10  -0.680  -1.971   0.267
   72   HG23  VAL  10          HG23      VAL  10  -2.341  -1.756   0.818
   73    H    ASP  11           HN       ASP  11  -0.481  -5.412   2.851
   74    HA   ASP  11           HA       ASP  11  -2.033  -7.401   4.275
   75    HB2  ASP  11           HB2      ASP  11  -2.537  -7.803   1.872
   76    HB3  ASP  11           HB3      ASP  11  -0.817  -8.055   1.586
   77    H    CYS  12           HN       CYS  12   0.256  -5.917   5.062
   78    HA   CYS  12           HA       CYS  12   1.855  -7.973   6.090
   79    HB2  CYS  12           HB2      CYS  12   3.829  -7.947   4.835
   80    HB3  CYS  12           HB3      CYS  12   2.564  -7.948   3.616
   81    H    GLY  13           HN       GLY  13   1.812  -4.584   5.098
   82    HA2  GLY  13           HA1      GLY  13   1.837  -2.973   6.983
   83    HA3  GLY  13           HA2      GLY  13   3.166  -3.919   7.640
   84    HA   PRO  14           HA       PRO  14   4.778  -0.416   4.925
   85    HB2  PRO  14           HB2      PRO  14   6.133   0.945   6.830
   86    HB3  PRO  14           HB3      PRO  14   4.422   1.235   6.492
   87    HG2  PRO  14           HG2      PRO  14   5.671  -0.414   8.660
   88    HG3  PRO  14           HG3      PRO  14   4.327   0.739   8.768
   89    HD2  PRO  14           HD2      PRO  14   3.944  -1.941   8.639
   90    HD3  PRO  14           HD3      PRO  14   2.797  -0.777   7.946
   91    H    ASN  15           HN       ASN  15   5.827  -2.720   4.531
   92    HA   ASN  15           HA       ASN  15   8.684  -2.377   5.065
   93    HB2  ASN  15           HB2      ASN  15   7.161  -4.949   5.531
   94    HB3  ASN  15           HB3      ASN  15   8.916  -4.807   5.541
   95   HD21  ASN  15          HD21      ASN  15   7.058  -5.622   7.650
   96   HD22  ASN  15          HD22      ASN  15   7.359  -4.562   8.980
   97    H    ARG  16           HN       ARG  16   6.260  -4.336   3.335
   98    HA   ARG  16           HA       ARG  16   8.167  -4.776   1.168
   99    HB2  ARG  16           HB2      ARG  16   5.365  -5.856   1.532
  100    HB3  ARG  16           HB3      ARG  16   6.505  -6.345   0.287
  101    HG2  ARG  16           HG2      ARG  16   8.019  -7.192   2.026
  102    HG3  ARG  16           HG3      ARG  16   6.834  -6.742   3.254
  103    HD2  ARG  16           HD2      ARG  16   5.205  -8.260   2.223
  104    HD3  ARG  16           HD3      ARG  16   6.405  -8.717   1.013
  105    HE   ARG  16           HE       ARG  16   7.303  -9.128   3.706
  106   HH11  ARG  16          HH12      ARG  16   5.479 -10.516   1.075
  107   HH12  ARG  16          HH11      ARG  16   5.705 -12.147   1.612
  108   HH21  ARG  16          HH22      ARG  16   7.602 -11.272   4.415
  109   HH22  ARG  16          HH21      ARG  16   6.910 -12.576   3.508
  110    HA   PRO  17           HA       PRO  17   6.341  -1.605  -1.333
  111    HB2  PRO  17           HB2      PRO  17   7.351  -2.267  -3.730
  112    HB3  PRO  17           HB3      PRO  17   8.379  -1.654  -2.429
  113    HG2  PRO  17           HG2      PRO  17   7.952  -4.474  -3.336
  114    HG3  PRO  17           HG3      PRO  17   9.461  -3.660  -2.885
  115    HD2  PRO  17           HD2      PRO  17   8.061  -5.316  -1.210
  116    HD3  PRO  17           HD3      PRO  17   9.120  -4.009  -0.647
  117    H    CYS  18           HN       CYS  18   4.981  -1.321  -3.297
  118    HA   CYS  18           HA       CYS  18   3.505  -3.692  -4.144
  119    HB2  CYS  18           HB2      CYS  18   1.939  -1.294  -3.237
  120    HB3  CYS  18           HB3      CYS  18   1.388  -2.948  -3.470
  121    H    ARG  19           HN       ARG  19   1.945  -3.156  -5.922
  122    HA   ARG  19           HA       ARG  19   3.249  -1.315  -7.763
  123    HB2  ARG  19           HB2      ARG  19   1.088  -3.391  -8.138
  124    HB3  ARG  19           HB3      ARG  19   1.625  -2.321  -9.424
  125    HG2  ARG  19           HG2      ARG  19   2.784  -4.332  -9.749
  126    HG3  ARG  19           HG3      ARG  19   3.954  -3.230  -9.025
  127    HD2  ARG  19           HD2      ARG  19   4.090  -5.454  -8.027
  128    HD3  ARG  19           HD3      ARG  19   3.583  -4.252  -6.843
  129    HE   ARG  19           HE       ARG  19   1.278  -5.366  -7.926
  130   HH11  ARG  19          HH12      ARG  19   4.015  -6.404  -6.025
  131   HH12  ARG  19          HH11      ARG  19   3.137  -7.657  -5.217
  132   HH21  ARG  19          HH22      ARG  19   0.122  -7.015  -6.862
  133   HH22  ARG  19          HH21      ARG  19   0.927  -8.005  -5.691
  134    H    ASP  20           HN       ASP  20   2.612   0.678  -6.890
  135    HA   ASP  20           HA       ASP  20  -0.257   1.292  -7.164
  136    HB2  ASP  20           HB2      ASP  20   0.063   3.045  -5.481
  137    HB3  ASP  20           HB3      ASP  20   0.533   1.473  -4.846
  138    H    THR  21           HN       THR  21  -0.873   3.004  -8.373
  139    HA   THR  21           HA       THR  21   1.159   4.248 -10.046
  140    HB   THR  21           HB       THR  21  -1.854   4.532 -10.159
  141    HG1  THR  21           HG1      THR  21  -1.819   2.884 -11.586
  142   HG21  THR  21          HG21      THR  21  -0.674   6.398 -11.214
  143   HG22  THR  21          HG22      THR  21  -1.458   5.385 -12.425
  144   HG23  THR  21          HG23      THR  21   0.282   5.265 -12.166
  145    H    GLY  22           HN       GLY  22  -0.848   4.960  -7.337
  146    HA2  GLY  22           HA1      GLY  22   0.278   7.668  -7.230
  147    HA3  GLY  22           HA2      GLY  22  -1.464   7.470  -7.089
  148    H    PHE  23           HN       PHE  23  -0.790   8.645  -4.996
  149    HA   PHE  23           HA       PHE  23   0.269   6.833  -2.962
  150    HB2  PHE  23           HB2      PHE  23  -0.282   9.007  -1.526
  151    HB3  PHE  23           HB3      PHE  23   1.163   8.904  -2.529
  152    HD1  PHE  23           HD1      PHE  23  -2.228  10.298  -2.288
  153    HD2  PHE  23           HD2      PHE  23   1.426  10.239  -4.466
  154    HE1  PHE  23           HE1      PHE  23  -2.971  12.253  -3.581
  155    HE2  PHE  23           HE2      PHE  23   0.694  12.198  -5.756
  156    HZ   PHE  23           HZ       PHE  23  -1.507  13.193  -5.318
  157    H    SME  24           HN       SME  24  -2.026   5.762  -3.851
  158    HA   SME  24           HA       SME  24  -3.597   5.561  -1.518
  159    HB2  SME  24           HB2      SME  24  -5.733   6.484  -2.557
  160    HB3  SME  24           HB1      SME  24  -4.552   7.660  -1.997
  161    HG2  SME  24           HG2      SME  24  -3.761   7.971  -4.275
  162    HG3  SME  24           HG1      SME  24  -4.914   6.767  -4.850
  163    HE1  SME  24           HE1      SME  24  -7.571   7.131  -4.813
  164    HE2  SME  24           HE2      SME  24  -8.352   8.617  -4.273
  165    HE3  SME  24           HE3      SME  24  -7.589   7.544  -3.100
  166    H    SER  25           HN       SER  25  -2.349   3.995  -3.814
  167    HA   SER  25           HA       SER  25  -4.525   2.110  -4.070
  168    HB2  SER  25           HB2      SER  25  -3.223   3.311  -6.528
  169    HB3  SER  25           HB3      SER  25  -4.326   1.936  -6.533
  170    HG   SER  25           HG       SER  25  -5.829   3.455  -5.442
  171    H    CYS  26           HN       CYS  26  -2.731   1.296  -2.577
  172    HA   CYS  26           HA       CYS  26  -0.493   0.144  -4.067
  173    HB2  CYS  26           HB2      CYS  26  -0.988   0.232  -1.089
  174    HB3  CYS  26           HB3      CYS  26   0.484  -0.330  -1.877
  175    H    ASP  27           HN       ASP  27  -0.894  -1.742  -4.968
  176    HA   ASP  27           HA       ASP  27  -2.407  -3.746  -3.423
  177    HB2  ASP  27           HB2      ASP  27  -2.231  -3.441  -6.429
  178    HB3  ASP  27           HB3      ASP  27  -3.088  -4.727  -5.585
  179    H    CYS  28           HN       CYS  28  -0.810  -4.900  -2.481
  180    HA   CYS  28           HA       CYS  28   1.145  -6.173  -4.277
  181    HB2  CYS  28           HB2      CYS  28   2.574  -6.245  -2.069
  182    HB3  CYS  28           HB3      CYS  28   2.574  -4.816  -3.091
  Start of MODEL    9
    1    H1   PHE   1           H1       PHE   1  -8.268   0.030  -1.264
    2    H2   PHE   1           H2       PHE   1  -9.212   1.304  -0.676
    3    H3   PHE   1           H3       PHE   1  -9.502  -0.276  -0.146
    4    HA   PHE   1           HA       PHE   1  -8.345   0.993   1.535
    5    HB2  PHE   1           HB2      PHE   1  -6.371  -0.554   1.787
    6    HB3  PHE   1           HB3      PHE   1  -7.919  -1.359   1.548
    7    HD1  PHE   1           HD1      PHE   1  -4.813  -0.325  -0.175
    8    HD2  PHE   1           HD2      PHE   1  -8.248  -2.834  -0.241
    9    HE1  PHE   1           HE1      PHE   1  -3.864  -1.563  -2.077
   10    HE2  PHE   1           HE2      PHE   1  -7.306  -4.079  -2.144
   11    HZ   PHE   1           HZ       PHE   1  -5.111  -3.444  -3.064
   12    H    PHE   2           HN       PHE   2  -6.995   2.602   2.005
   13    HA   PHE   2           HA       PHE   2  -5.380   3.722  -0.143
   14    HB2  PHE   2           HB2      PHE   2  -5.956   4.802   2.625
   15    HB3  PHE   2           HB3      PHE   2  -5.157   5.674   1.321
   16    HD1  PHE   2           HD1      PHE   2  -8.354   4.146   2.365
   17    HD2  PHE   2           HD2      PHE   2  -6.398   6.784  -0.340
   18    HE1  PHE   2           HE1      PHE   2 -10.541   4.945   1.568
   19    HE2  PHE   2           HE2      PHE   2  -8.579   7.589  -1.141
   20    HZ   PHE   2           HZ       PHE   2 -10.655   6.669  -0.187
   21    H    CYS   3           HN       CYS   3  -3.170   4.134   0.001
   22    HA   CYS   3           HA       CYS   3  -1.716   3.033   2.288
   23    HB2  CYS   3           HB2      CYS   3  -0.785   2.361  -0.489
   24    HB3  CYS   3           HB3      CYS   3  -0.373   1.582   1.035
   25    HA   PRO   4           HA       PRO   4   0.476   6.826   1.401
   26    HB2  PRO   4           HB2      PRO   4   2.098   6.851   3.526
   27    HB3  PRO   4           HB3      PRO   4   0.356   7.109   3.694
   28    HG2  PRO   4           HG2      PRO   4   1.966   4.646   4.217
   29    HG3  PRO   4           HG3      PRO   4   0.622   5.325   5.151
   30    HD2  PRO   4           HD2      PRO   4   0.386   3.245   3.348
   31    HD3  PRO   4           HD3      PRO   4  -0.948   4.301   3.847
   32    H    PHE   5           HN       PHE   5   2.369   3.969   2.398
   33    HA   PHE   5           HA       PHE   5   4.379   4.718   0.377
   34    HB2  PHE   5           HB2      PHE   5   5.140   3.214   2.860
   35    HB3  PHE   5           HB3      PHE   5   6.152   4.185   1.798
   36    HD1  PHE   5           HD1      PHE   5   5.985   6.672   1.884
   37    HD2  PHE   5           HD2      PHE   5   4.051   4.157   4.720
   38    HE1  PHE   5           HE1      PHE   5   5.734   8.588   3.409
   39    HE2  PHE   5           HE2      PHE   5   3.796   6.066   6.248
   40    HZ   PHE   5           HZ       PHE   5   4.636   8.286   5.593
   41    H    GLY   6           HN       GLY   6   3.747   1.917   2.491
   42    HA2  GLY   6           HA1      GLY   6   3.911   0.207   0.090
   43    HA3  GLY   6           HA2      GLY   6   4.364  -0.306   1.710
   44    H    CYS   7           HN       CYS   7   2.904  -1.418   2.843
   45    HA   CYS   7           HA       CYS   7   0.224  -1.690   1.746
   46    HB2  CYS   7           HB2      CYS   7   1.636  -3.156   3.976
   47    HB3  CYS   7           HB3      CYS   7  -0.014  -3.490   3.468
   48    H    ALA   8           HN       ALA   8   1.262  -1.646   5.128
   49    HA   ALA   8           HA       ALA   8   0.561  -0.444   6.936
   50    HB1  ALA   8           HB1      ALA   8   0.769   1.534   5.394
   51    HB2  ALA   8           HB2      ALA   8  -0.950   1.354   5.047
   52    HB3  ALA   8           HB3      ALA   8  -0.416   1.711   6.688
   53    H    LEU   9           HN       LEU   9  -0.604  -2.515   7.185
   54    HA   LEU   9           HA       LEU   9  -2.439  -3.667   7.861
   55    HB2  LEU   9           HB2      LEU   9  -3.731  -0.941   7.741
   56    HB3  LEU   9           HB3      LEU   9  -4.521  -2.374   8.368
   57    HG   LEU   9           HG       LEU   9  -2.774  -2.544  10.116
   58   HD11  LEU   9          HD11      LEU   9  -0.904  -1.484   9.135
   59   HD12  LEU   9          HD12      LEU   9  -1.808   0.002   8.842
   60   HD13  LEU   9          HD13      LEU   9  -1.392  -0.468  10.490
   61   HD21  LEU   9          HD21      LEU   9  -4.886  -1.425  10.585
   62   HD22  LEU   9          HD22      LEU   9  -3.558  -0.654  11.453
   63   HD23  LEU   9          HD23      LEU   9  -4.219   0.099  10.001
   64    H    VAL  10           HN       VAL  10  -1.768  -3.464   5.080
   65    HA   VAL  10           HA       VAL  10  -4.420  -3.664   3.822
   66    HB   VAL  10           HB       VAL  10  -1.746  -3.251   2.479
   67   HG11  VAL  10          HG11      VAL  10  -4.551  -3.270   1.375
   68   HG12  VAL  10          HG12      VAL  10  -3.119  -2.761   0.480
   69   HG13  VAL  10          HG13      VAL  10  -3.269  -4.430   1.028
   70   HG21  VAL  10          HG21      VAL  10  -2.575  -1.336   3.856
   71   HG22  VAL  10          HG22      VAL  10  -2.391  -0.981   2.138
   72   HG23  VAL  10          HG23      VAL  10  -3.995  -1.277   2.810
   73    H    ASP  11           HN       ASP  11  -1.250  -5.055   2.939
   74    HA   ASP  11           HA       ASP  11  -2.272  -7.734   3.372
   75    HB2  ASP  11           HB2      ASP  11  -1.555  -6.690   0.633
   76    HB3  ASP  11           HB3      ASP  11  -1.633  -8.408   1.014
   77    H    CYS  12           HN       CYS  12  -0.141  -6.218   4.535
   78    HA   CYS  12           HA       CYS  12   1.865  -8.124   4.654
   79    HB2  CYS  12           HB2      CYS  12   3.597  -7.453   3.249
   80    HB3  CYS  12           HB3      CYS  12   2.181  -7.230   2.233
   81    H    GLY  13           HN       GLY  13   0.987  -4.757   4.910
   82    HA2  GLY  13           HA1      GLY  13   1.218  -3.421   6.816
   83    HA3  GLY  13           HA2      GLY  13   2.337  -4.606   7.481
   84    HA   PRO  14           HA       PRO  14   4.773  -0.992   5.804
   85    HB2  PRO  14           HB2      PRO  14   5.982  -0.232   8.087
   86    HB3  PRO  14           HB3      PRO  14   4.364   0.331   7.651
   87    HG2  PRO  14           HG2      PRO  14   5.167  -1.845   9.542
   88    HG3  PRO  14           HG3      PRO  14   3.916  -0.603   9.733
   89    HD2  PRO  14           HD2      PRO  14   3.389  -3.177   8.978
   90    HD3  PRO  14           HD3      PRO  14   2.379  -1.793   8.516
   91    H    ASN  15           HN       ASN  15   5.573  -3.344   5.077
   92    HA   ASN  15           HA       ASN  15   8.362  -3.473   5.923
   93    HB2  ASN  15           HB2      ASN  15   8.282  -5.941   6.113
   94    HB3  ASN  15           HB3      ASN  15   7.294  -5.137   7.329
   95   HD21  ASN  15          HD21      ASN  15   7.127  -7.848   6.287
   96   HD22  ASN  15          HD22      ASN  15   5.530  -8.020   5.651
   97    H    ARG  16           HN       ARG  16   5.936  -4.926   3.734
   98    HA   ARG  16           HA       ARG  16   8.024  -5.241   1.710
   99    HB2  ARG  16           HB2      ARG  16   5.154  -6.168   1.541
  100    HB3  ARG  16           HB3      ARG  16   6.501  -6.672   0.532
  101    HG2  ARG  16           HG2      ARG  16   7.552  -7.733   2.476
  102    HG3  ARG  16           HG3      ARG  16   6.174  -7.253   3.468
  103    HD2  ARG  16           HD2      ARG  16   4.692  -8.565   2.002
  104    HD3  ARG  16           HD3      ARG  16   6.096  -9.077   1.068
  105    HE   ARG  16           HE       ARG  16   6.438  -9.694   3.812
  106   HH11  ARG  16          HH12      ARG  16   4.724 -10.731   0.954
  107   HH12  ARG  16          HH11      ARG  16   4.598 -12.377   1.475
  108   HH21  ARG  16          HH22      ARG  16   6.272 -11.859   4.499
  109   HH22  ARG  16          HH21      ARG  16   5.476 -13.018   3.488
  110    HA   PRO  17           HA       PRO  17   6.616  -1.607  -0.412
  111    HB2  PRO  17           HB2      PRO  17   7.906  -1.949  -2.751
  112    HB3  PRO  17           HB3      PRO  17   8.760  -1.532  -1.261
  113    HG2  PRO  17           HG2      PRO  17   8.452  -4.200  -2.583
  114    HG3  PRO  17           HG3      PRO  17   9.896  -3.473  -1.853
  115    HD2  PRO  17           HD2      PRO  17   8.344  -5.317  -0.581
  116    HD3  PRO  17           HD3      PRO  17   9.271  -4.070   0.275
  117    H    CYS  18           HN       CYS  18   5.404  -0.953  -2.309
  118    HA   CYS  18           HA       CYS  18   4.066  -3.094  -3.786
  119    HB2  CYS  18           HB2      CYS  18   2.482  -0.887  -2.471
  120    HB3  CYS  18           HB3      CYS  18   1.866  -2.325  -3.277
  121    H    ARG  19           HN       ARG  19   2.823  -2.264  -5.642
  122    HA   ARG  19           HA       ARG  19   4.263  -0.059  -6.879
  123    HB2  ARG  19           HB2      ARG  19   2.227  -1.977  -8.029
  124    HB3  ARG  19           HB3      ARG  19   3.130  -0.783  -8.950
  125    HG2  ARG  19           HG2      ARG  19   4.326  -3.094  -7.436
  126    HG3  ARG  19           HG3      ARG  19   4.076  -3.020  -9.181
  127    HD2  ARG  19           HD2      ARG  19   5.831  -1.176  -7.564
  128    HD3  ARG  19           HD3      ARG  19   6.390  -2.502  -8.582
  129    HE   ARG  19           HE       ARG  19   4.804  -0.718 -10.091
  130   HH11  ARG  19          HH12      ARG  19   7.954  -0.977  -8.613
  131   HH12  ARG  19          HH11      ARG  19   8.707   0.103  -9.737
  132   HH21  ARG  19          HH22      ARG  19   5.793   0.702 -11.571
  133   HH22  ARG  19          HH21      ARG  19   7.482   1.056 -11.416
  134    H    ASP  20           HN       ASP  20   3.492   1.937  -6.994
  135    HA   ASP  20           HA       ASP  20   0.750   2.461  -6.177
  136    HB2  ASP  20           HB2      ASP  20   3.023   4.361  -6.791
  137    HB3  ASP  20           HB3      ASP  20   1.450   4.831  -6.154
  138    H    THR  21           HN       THR  21  -0.837   3.241  -7.468
  139    HA   THR  21           HA       THR  21  -0.156   3.795 -10.280
  140    HB   THR  21           HB       THR  21  -1.171   1.587 -10.191
  141    HG1  THR  21           HG1      THR  21  -3.110   3.454 -11.125
  142   HG21  THR  21          HG21      THR  21  -2.392   1.857  -8.069
  143   HG22  THR  21          HG22      THR  21  -3.433   1.244  -9.354
  144   HG23  THR  21          HG23      THR  21  -3.530   2.938  -8.873
  145    H    GLY  22           HN       GLY  22  -2.501   4.278  -7.663
  146    HA2  GLY  22           HA1      GLY  22  -3.121   6.904  -8.850
  147    HA3  GLY  22           HA2      GLY  22  -4.419   5.846  -8.321
  148    H    PHE  23           HN       PHE  23  -4.653   8.106  -7.176
  149    HA   PHE  23           HA       PHE  23  -3.115   8.913  -5.040
  150    HB2  PHE  23           HB2      PHE  23  -6.048   8.958  -4.568
  151    HB3  PHE  23           HB3      PHE  23  -4.867  10.259  -4.445
  152    HD1  PHE  23           HD2      PHE  23  -4.060  11.371  -6.530
  153    HD2  PHE  23           HD1      PHE  23  -7.321   8.640  -6.506
  154    HE1  PHE  23           HE2      PHE  23  -4.766  12.199  -8.736
  155    HE2  PHE  23           HE1      PHE  23  -8.028   9.456  -8.714
  156    HZ   PHE  23           HZ       PHE  23  -6.745  11.229  -9.827
  157    H    SME  24           HN       SME  24  -2.240   7.516  -3.621
  158    HA   SME  24           HA       SME  24  -2.054   6.000  -1.936
  159    HB2  SME  24           HB2      SME  24  -4.836   7.047  -1.522
  160    HB3  SME  24           HB1      SME  24  -4.207   5.764  -0.498
  161    HG2  SME  24           HG2      SME  24  -3.938   7.951   0.531
  162    HG3  SME  24           HG1      SME  24  -2.380   7.193   0.212
  163    HE1  SME  24           HE1      SME  24  -2.975  10.420   0.804
  164    HE2  SME  24           HE2      SME  24  -1.835  11.146  -0.328
  165    HE3  SME  24           HE3      SME  24  -1.345   9.765   0.654
  166    H    SER  25           HN       SER  25  -1.792   4.337  -3.560
  167    HA   SER  25           HA       SER  25  -3.778   2.247  -3.256
  168    HB2  SER  25           HB2      SER  25  -2.945   3.246  -5.994
  169    HB3  SER  25           HB3      SER  25  -3.914   1.806  -5.685
  170    HG   SER  25           HG       SER  25  -4.610   4.495  -5.522
  171    H    CYS  26           HN       CYS  26  -2.545   0.665  -2.480
  172    HA   CYS  26           HA       CYS  26   0.126   0.274  -3.644
  173    HB2  CYS  26           HB2      CYS  26   0.716  -0.866  -1.557
  174    HB3  CYS  26           HB3      CYS  26   0.144   0.770  -1.251
  175    H    ASP  27           HN       ASP  27  -0.035  -1.164  -5.237
  176    HA   ASP  27           HA       ASP  27  -1.681  -3.561  -4.827
  177    HB2  ASP  27           HB2      ASP  27  -0.474  -2.441  -7.367
  178    HB3  ASP  27           HB3      ASP  27  -1.485  -3.881  -7.268
  179    H    CYS  28           HN       CYS  28  -0.240  -4.701  -3.503
  180    HA   CYS  28           HA       CYS  28   2.149  -5.711  -4.901
  181    HB2  CYS  28           HB2      CYS  28   2.966  -6.108  -2.438
  182    HB3  CYS  28           HB3      CYS  28   3.155  -4.534  -3.194
  Start of MODEL   10
    1    H1   PHE   1           H1       PHE   1  -7.596  -0.700  -1.379
    2    H2   PHE   1           H2       PHE   1  -8.283   0.286  -2.569
    3    H3   PHE   1           H3       PHE   1  -9.273  -0.686  -1.602
    4    HA   PHE   1           HA       PHE   1  -9.367   1.627  -0.922
    5    HB2  PHE   1           HB2      PHE   1  -8.836   1.252   1.478
    6    HB3  PHE   1           HB3      PHE   1  -9.758  -0.067   0.766
    7    HD1  PHE   1           HD2      PHE   1  -8.579  -2.183   0.147
    8    HD2  PHE   1           HD1      PHE   1  -6.717   0.890   2.427
    9    HE1  PHE   1           HE2      PHE   1  -6.878  -3.788   0.913
   10    HE2  PHE   1           HE1      PHE   1  -5.012  -0.709   3.197
   11    HZ   PHE   1           HZ       PHE   1  -5.092  -3.051   2.440
   12    H    PHE   2           HN       PHE   2  -8.372   3.525  -0.541
   13    HA   PHE   2           HA       PHE   2  -5.765   3.960  -1.444
   14    HB2  PHE   2           HB2      PHE   2  -6.013   6.223  -0.468
   15    HB3  PHE   2           HB3      PHE   2  -7.419   5.739  -1.411
   16    HD1  PHE   2           HD2      PHE   2  -6.137   6.441   1.937
   17    HD2  PHE   2           HD1      PHE   2  -9.541   5.301  -0.347
   18    HE1  PHE   2           HE2      PHE   2  -7.587   6.918   3.867
   19    HE2  PHE   2           HE1      PHE   2 -10.998   5.776   1.578
   20    HZ   PHE   2           HZ       PHE   2 -10.021   6.585   3.689
   21    H    CYS   3           HN       CYS   3  -3.813   3.891  -0.510
   22    HA   CYS   3           HA       CYS   3  -3.706   3.470   2.403
   23    HB2  CYS   3           HB2      CYS   3  -2.115   2.207   0.189
   24    HB3  CYS   3           HB3      CYS   3  -1.497   2.255   1.836
   25    HA   PRO   4           HA       PRO   4  -1.051   6.905   3.016
   26    HB2  PRO   4           HB2      PRO   4   1.023   5.145   4.196
   27    HB3  PRO   4           HB3      PRO   4   0.195   6.539   4.898
   28    HG2  PRO   4           HG2      PRO   4  -0.390   4.050   5.666
   29    HG3  PRO   4           HG3      PRO   4  -1.647   5.295   5.530
   30    HD2  PRO   4           HD2      PRO   4  -1.019   3.028   3.689
   31    HD3  PRO   4           HD3      PRO   4  -2.593   3.715   4.137
   32    H    PHE   5           HN       PHE   5   1.216   4.215   2.446
   33    HA   PHE   5           HA       PHE   5   2.178   5.480   0.014
   34    HB2  PHE   5           HB2      PHE   5   4.594   5.049   1.109
   35    HB3  PHE   5           HB3      PHE   5   3.754   6.591   1.237
   36    HD1  PHE   5           HD1      PHE   5   2.597   7.204   3.312
   37    HD2  PHE   5           HD2      PHE   5   4.931   3.658   3.022
   38    HE1  PHE   5           HE1      PHE   5   2.631   7.032   5.765
   39    HE2  PHE   5           HE2      PHE   5   4.970   3.480   5.476
   40    HZ   PHE   5           HZ       PHE   5   3.813   5.167   6.849
   41    H    GLY   6           HN       GLY   6   2.899   2.913   2.382
   42    HA2  GLY   6           HA1      GLY   6   3.514   1.118   0.130
   43    HA3  GLY   6           HA2      GLY   6   4.052   0.886   1.787
   44    H    CYS   7           HN       CYS   7   3.228  -1.257   1.738
   45    HA   CYS   7           HA       CYS   7   0.350  -1.578   1.449
   46    HB2  CYS   7           HB2      CYS   7   0.743  -3.932   1.475
   47    HB3  CYS   7           HB3      CYS   7   1.992  -3.215   0.469
   48    H    ALA   8           HN       ALA   8   1.121   0.026   3.626
   49    HA   ALA   8           HA       ALA   8   1.328  -1.321   6.072
   50    HB1  ALA   8           HB1      ALA   8   0.070   1.365   5.525
   51    HB2  ALA   8           HB2      ALA   8   0.610   0.771   7.094
   52    HB3  ALA   8           HB3      ALA   8   1.784   1.067   5.812
   53    H    LEU   9           HN       LEU   9  -0.062  -2.607   7.072
   54    HA   LEU   9           HA       LEU   9  -1.986  -3.621   7.740
   55    HB2  LEU   9           HB2      LEU   9  -2.427  -1.266   8.515
   56    HB3  LEU   9           HB3      LEU   9  -3.329  -1.014   7.034
   57    HG   LEU   9           HG       LEU   9  -4.934  -2.739   7.695
   58   HD11  LEU   9          HD11      LEU   9  -4.842  -3.710   9.943
   59   HD12  LEU   9          HD12      LEU   9  -3.452  -4.183   8.965
   60   HD13  LEU   9          HD13      LEU   9  -3.276  -2.941  10.204
   61   HD21  LEU   9          HD21      LEU   9  -4.445  -0.684   9.847
   62   HD22  LEU   9          HD22      LEU   9  -5.346  -0.428   8.352
   63   HD23  LEU   9          HD23      LEU   9  -5.957  -1.550   9.568
   64    H    VAL  10           HN       VAL  10  -1.152  -3.697   4.915
   65    HA   VAL  10           HA       VAL  10  -3.763  -4.104   3.621
   66    HB   VAL  10           HB       VAL  10  -1.065  -3.804   2.295
   67   HG11  VAL  10          HG11      VAL  10  -3.846  -3.893   1.134
   68   HG12  VAL  10          HG12      VAL  10  -2.367  -3.569   0.230
   69   HG13  VAL  10          HG13      VAL  10  -2.612  -5.144   0.984
   70   HG21  VAL  10          HG21      VAL  10  -1.860  -1.589   1.606
   71   HG22  VAL  10          HG22      VAL  10  -3.318  -1.820   2.571
   72   HG23  VAL  10          HG23      VAL  10  -1.744  -1.728   3.359
   73    H    ASP  11           HN       ASP  11  -0.554  -5.501   2.944
   74    HA   ASP  11           HA       ASP  11  -1.479  -8.140   3.705
   75    HB2  ASP  11           HB2      ASP  11  -2.123  -7.637   1.239
   76    HB3  ASP  11           HB3      ASP  11  -0.395  -7.804   0.926
   77    H    CYS  12           HN       CYS  12   0.569  -6.316   4.593
   78    HA   CYS  12           HA       CYS  12   2.675  -8.064   4.996
   79    HB2  CYS  12           HB2      CYS  12   4.377  -6.629   3.522
   80    HB3  CYS  12           HB3      CYS  12   3.566  -8.063   2.906
   81    H    GLY  13           HN       GLY  13   1.633  -4.727   4.740
   82    HA2  GLY  13           HA1      GLY  13   1.749  -3.185   6.510
   83    HA3  GLY  13           HA2      GLY  13   2.970  -4.188   7.275
   84    HA   PRO  14           HA       PRO  14   4.889  -0.423   5.140
   85    HB2  PRO  14           HB2      PRO  14   5.935   0.721   7.372
   86    HB3  PRO  14           HB3      PRO  14   4.314   1.089   6.770
   87    HG2  PRO  14           HG2      PRO  14   5.142  -0.780   8.960
   88    HG3  PRO  14           HG3      PRO  14   3.807   0.387   8.932
   89    HD2  PRO  14           HD2      PRO  14   3.422  -2.250   8.503
   90    HD3  PRO  14           HD3      PRO  14   2.448  -1.008   7.689
   91    H    ASN  15           HN       ASN  15   5.994  -2.709   4.724
   92    HA   ASN  15           HA       ASN  15   8.768  -2.345   5.497
   93    HB2  ASN  15           HB2      ASN  15   8.936  -4.838   6.039
   94    HB3  ASN  15           HB3      ASN  15   8.179  -3.810   7.252
   95   HD21  ASN  15          HD21      ASN  15   5.946  -3.921   7.557
   96   HD22  ASN  15          HD22      ASN  15   5.021  -5.273   7.009
   97    H    ARG  16           HN       ARG  16   6.431  -4.344   3.719
   98    HA   ARG  16           HA       ARG  16   8.463  -4.926   1.701
   99    HB2  ARG  16           HB2      ARG  16   5.682  -6.002   2.155
  100    HB3  ARG  16           HB3      ARG  16   6.650  -6.410   0.746
  101    HG2  ARG  16           HG2      ARG  16   8.341  -7.412   2.156
  102    HG3  ARG  16           HG3      ARG  16   7.450  -6.933   3.601
  103    HD2  ARG  16           HD2      ARG  16   5.568  -8.339   2.891
  104    HD3  ARG  16           HD3      ARG  16   6.483  -8.831   1.466
  105    HE   ARG  16           HE       ARG  16   8.057  -9.420   3.667
  106   HH11  ARG  16          HH12      ARG  16   4.949 -10.379   2.402
  107   HH12  ARG  16          HH11      ARG  16   5.021 -11.967   3.090
  108   HH21  ARG  16          HH22      ARG  16   8.153 -11.507   4.571
  109   HH22  ARG  16          HH21      ARG  16   6.839 -12.608   4.321
  110    HA   PRO  17           HA       PRO  17   6.903  -1.799  -1.018
  111    HB2  PRO  17           HB2      PRO  17   7.917  -2.678  -3.359
  112    HB3  PRO  17           HB3      PRO  17   8.935  -1.985  -2.090
  113    HG2  PRO  17           HG2      PRO  17   8.442  -4.862  -2.764
  114    HG3  PRO  17           HG3      PRO  17   9.970  -4.051  -2.369
  115    HD2  PRO  17           HD2      PRO  17   8.563  -5.520  -0.565
  116    HD3  PRO  17           HD3      PRO  17   9.570  -4.132  -0.105
  117    H    CYS  18           HN       CYS  18   5.085  -1.443  -2.158
  118    HA   CYS  18           HA       CYS  18   3.641  -3.788  -3.215
  119    HB2  CYS  18           HB2      CYS  18   2.772  -2.212  -1.209
  120    HB3  CYS  18           HB3      CYS  18   2.138  -1.309  -2.582
  121    H    ARG  19           HN       ARG  19   1.927  -3.025  -4.901
  122    HA   ARG  19           HA       ARG  19   3.382  -1.381  -6.855
  123    HB2  ARG  19           HB2      ARG  19   1.302  -3.534  -7.159
  124    HB3  ARG  19           HB3      ARG  19   1.689  -2.438  -8.475
  125    HG2  ARG  19           HG2      ARG  19   2.900  -4.526  -8.697
  126    HG3  ARG  19           HG3      ARG  19   4.011  -3.183  -8.423
  127    HD2  ARG  19           HD2      ARG  19   4.234  -3.796  -6.095
  128    HD3  ARG  19           HD3      ARG  19   3.034  -5.073  -6.286
  129    HE   ARG  19           HE       ARG  19   4.963  -5.679  -8.114
  130   HH11  ARG  19          HH12      ARG  19   4.948  -5.104  -4.672
  131   HH12  ARG  19          HH11      ARG  19   6.287  -6.157  -4.363
  132   HH21  ARG  19          HH22      ARG  19   6.725  -7.065  -7.712
  133   HH22  ARG  19          HH21      ARG  19   7.297  -7.270  -6.089
  134    H    ASP  20           HN       ASP  20   2.718   0.616  -5.970
  135    HA   ASP  20           HA       ASP  20  -0.135   1.224  -6.032
  136    HB2  ASP  20           HB2      ASP  20   0.513   3.353  -4.972
  137    HB3  ASP  20           HB3      ASP  20   1.125   1.967  -4.073
  138    H    THR  21           HN       THR  21  -1.083   2.526  -7.499
  139    HA   THR  21           HA       THR  21   0.488   3.281  -9.829
  140    HB   THR  21           HB       THR  21  -1.640   2.148 -10.225
  141    HG1  THR  21           HG1      THR  21  -2.032   3.403 -11.907
  142   HG21  THR  21          HG21      THR  21  -2.873   2.868  -8.260
  143   HG22  THR  21          HG22      THR  21  -3.770   3.295  -9.717
  144   HG23  THR  21          HG23      THR  21  -2.872   4.533  -8.839
  145    H    GLY  22           HN       GLY  22  -1.053   4.727  -7.084
  146    HA2  GLY  22           HA1      GLY  22   0.026   7.324  -7.866
  147    HA3  GLY  22           HA2      GLY  22  -1.708   7.237  -7.590
  148    H    PHE  23           HN       PHE  23  -1.342   8.814  -5.894
  149    HA   PHE  23           HA       PHE  23   0.094   7.859  -3.535
  150    HB2  PHE  23           HB2      PHE  23  -0.878  10.196  -2.687
  151    HB3  PHE  23           HB3      PHE  23   0.556  10.103  -3.708
  152    HD1  PHE  23           HD1      PHE  23  -3.038  10.856  -3.641
  153    HD2  PHE  23           HD2      PHE  23   0.532  10.865  -5.955
  154    HE1  PHE  23           HE1      PHE  23  -4.160  12.211  -5.360
  155    HE2  PHE  23           HE2      PHE  23  -0.580  12.225  -7.673
  156    HZ   PHE  23           HZ       PHE  23  -2.927  12.884  -7.377
  157    H    SME  24           HN       SME  24  -2.027   6.238  -4.088
  158    HA   SME  24           HA       SME  24  -3.379   6.012  -1.700
  159    HB2  SME  24           HB2      SME  24  -5.690   6.739  -2.357
  160    HB3  SME  24           HB1      SME  24  -4.554   8.059  -2.125
  161    HG2  SME  24           HG2      SME  24  -4.256   8.235  -4.537
  162    HG3  SME  24           HG1      SME  24  -5.383   6.901  -4.776
  163    HE1  SME  24           HE1      SME  24  -6.849   8.531  -6.466
  164    HE2  SME  24           HE2      SME  24  -5.689   9.828  -6.176
  165    HE3  SME  24           HE3      SME  24  -7.415  10.126  -5.969
  166    H    SER  25           HN       SER  25  -2.202   4.227  -3.374
  167    HA   SER  25           HA       SER  25  -4.405   2.445  -3.979
  168    HB2  SER  25           HB2      SER  25  -4.098   3.607  -6.114
  169    HB3  SER  25           HB3      SER  25  -2.377   3.220  -6.092
  170    HG   SER  25           HG       SER  25  -2.985   0.994  -6.150
  171    H    CYS  26           HN       CYS  26  -3.814   0.831  -2.668
  172    HA   CYS  26           HA       CYS  26  -1.024  -0.099  -2.804
  173    HB2  CYS  26           HB2      CYS  26  -1.574  -1.173  -0.558
  174    HB3  CYS  26           HB3      CYS  26  -1.432   0.581  -0.584
  175    H    ASP  27           HN       ASP  27  -1.052  -1.628  -4.344
  176    HA   ASP  27           HA       ASP  27  -2.850  -3.919  -3.904
  177    HB2  ASP  27           HB2      ASP  27  -2.094  -2.733  -6.585
  178    HB3  ASP  27           HB3      ASP  27  -3.022  -4.211  -6.352
  179    H    CYS  28           HN       CYS  28  -1.427  -5.336  -3.050
  180    HA   CYS  28           HA       CYS  28   1.200  -5.658  -4.280
  181    HB2  CYS  28           HB2      CYS  28  -0.043  -6.669  -1.732
  182    HB3  CYS  28           HB3      CYS  28   1.460  -7.345  -2.345
  Start of MODEL   11
    1    H1   PHE   1           H1       PHE   1  -9.157   1.129  -1.302
    2    H2   PHE   1           H2       PHE   1  -9.383  -0.455  -0.753
    3    H3   PHE   1           H3       PHE   1  -8.063  -0.084  -1.743
    4    HA   PHE   1           HA       PHE   1  -8.509   0.955   0.993
    5    HB2  PHE   1           HB2      PHE   1  -6.452  -0.444   1.490
    6    HB3  PHE   1           HB3      PHE   1  -7.933  -1.345   1.183
    7    HD1  PHE   1           HD2      PHE   1  -4.784  -0.199  -0.398
    8    HD2  PHE   1           HD1      PHE   1  -8.028  -2.950  -0.507
    9    HE1  PHE   1           HE2      PHE   1  -3.638  -1.474  -2.161
   10    HE2  PHE   1           HE1      PHE   1  -6.887  -4.232  -2.271
   11    HZ   PHE   1           HZ       PHE   1  -4.689  -3.493  -3.100
   12    H    PHE   2           HN       PHE   2  -7.328   2.664   1.538
   13    HA   PHE   2           HA       PHE   2  -5.549   3.817  -0.457
   14    HB2  PHE   2           HB2      PHE   2  -6.491   4.943   2.190
   15    HB3  PHE   2           HB3      PHE   2  -5.625   5.828   0.939
   16    HD1  PHE   2           HD1      PHE   2  -8.788   4.046   1.665
   17    HD2  PHE   2           HD2      PHE   2  -6.777   6.853  -0.822
   18    HE1  PHE   2           HE1      PHE   2 -10.934   4.660   0.629
   19    HE2  PHE   2           HE2      PHE   2  -8.918   7.473  -1.861
   20    HZ   PHE   2           HZ       PHE   2 -11.000   6.376  -1.137
   21    H    CYS   3           HN       CYS   3  -3.377   3.918  -0.289
   22    HA   CYS   3           HA       CYS   3  -2.168   2.712   2.098
   23    HB2  CYS   3           HB2      CYS   3  -0.223   2.257   0.733
   24    HB3  CYS   3           HB3      CYS   3  -1.659   1.677  -0.102
   25    HA   PRO   4           HA       PRO   4  -0.726   6.854   3.027
   26    HB2  PRO   4           HB2      PRO   4   0.248   6.359   5.469
   27    HB3  PRO   4           HB3      PRO   4  -1.493   6.371   5.159
   28    HG2  PRO   4           HG2      PRO   4   0.365   4.048   5.448
   29    HG3  PRO   4           HG3      PRO   4  -1.282   4.248   6.069
   30    HD2  PRO   4           HD2      PRO   4  -0.625   2.848   3.780
   31    HD3  PRO   4           HD3      PRO   4  -2.224   3.541   4.114
   32    H    PHE   5           HN       PHE   5   1.197   3.946   2.988
   33    HA   PHE   5           HA       PHE   5   3.547   5.537   2.283
   34    HB2  PHE   5           HB2      PHE   5   3.788   3.231   4.210
   35    HB3  PHE   5           HB3      PHE   5   4.998   4.446   3.808
   36    HD1  PHE   5           HD1      PHE   5   4.535   6.855   4.512
   37    HD2  PHE   5           HD2      PHE   5   2.384   3.514   6.037
   38    HE1  PHE   5           HE1      PHE   5   3.817   8.202   6.442
   39    HE2  PHE   5           HE2      PHE   5   1.662   4.854   7.969
   40    HZ   PHE   5           HZ       PHE   5   2.376   7.200   8.172
   41    H    GLY   6           HN       GLY   6   2.232   2.253   2.651
   42    HA2  GLY   6           HA1      GLY   6   2.721   1.570  -0.057
   43    HA3  GLY   6           HA2      GLY   6   3.984   0.902   0.968
   44    H    CYS   7           HN       CYS   7   3.619  -0.998   1.936
   45    HA   CYS   7           HA       CYS   7   1.014  -2.240   1.565
   46    HB2  CYS   7           HB2      CYS   7   3.078  -3.471   0.967
   47    HB3  CYS   7           HB3      CYS   7   3.585  -3.409   2.650
   48    H    ALA   8           HN       ALA   8   2.017  -0.183   3.768
   49    HA   ALA   8           HA       ALA   8   1.709  -1.466   6.254
   50    HB1  ALA   8           HB1      ALA   8   1.474   0.757   7.185
   51    HB2  ALA   8           HB2      ALA   8   2.751   0.747   5.968
   52    HB3  ALA   8           HB3      ALA   8   1.169   1.424   5.581
   53    H    LEU   9           HN       LEU   9  -0.038  -2.341   7.130
   54    HA   LEU   9           HA       LEU   9  -2.202  -2.863   7.588
   55    HB2  LEU   9           HB2      LEU   9  -2.653   0.042   6.904
   56    HB3  LEU   9           HB3      LEU   9  -3.798  -0.994   7.735
   57    HG   LEU   9           HG       LEU   9  -1.093  -0.151   8.778
   58   HD11  LEU   9          HD11      LEU   9  -3.881   0.610   9.634
   59   HD12  LEU   9          HD12      LEU   9  -2.388   1.092  10.438
   60   HD13  LEU   9          HD13      LEU   9  -2.729   1.652   8.800
   61   HD21  LEU   9          HD21      LEU   9  -1.667  -2.403   9.509
   62   HD22  LEU   9          HD22      LEU   9  -1.774  -1.261  10.849
   63   HD23  LEU   9          HD23      LEU   9  -3.243  -1.834  10.059
   64    H    VAL  10           HN       VAL  10  -1.176  -3.042   4.791
   65    HA   VAL  10           HA       VAL  10  -3.690  -2.759   3.300
   66    HB   VAL  10           HB       VAL  10  -0.905  -3.248   2.231
   67   HG11  VAL  10          HG11      VAL  10  -1.894  -2.744   0.044
   68   HG12  VAL  10          HG12      VAL  10  -2.629  -4.170   0.779
   69   HG13  VAL  10          HG13      VAL  10  -3.486  -2.628   0.796
   70   HG21  VAL  10          HG21      VAL  10  -2.571  -0.740   2.358
   71   HG22  VAL  10          HG22      VAL  10  -1.036  -1.042   3.171
   72   HG23  VAL  10          HG23      VAL  10  -1.091  -0.910   1.413
   73    H    ASP  11           HN       ASP  11  -0.968  -5.033   2.930
   74    HA   ASP  11           HA       ASP  11  -2.703  -7.270   3.536
   75    HB2  ASP  11           HB2      ASP  11  -3.107  -6.806   1.125
   76    HB3  ASP  11           HB3      ASP  11  -1.388  -7.046   0.820
   77    H    CYS  12           HN       CYS  12  -0.330  -6.138   4.693
   78    HA   CYS  12           HA       CYS  12   1.095  -8.446   5.300
   79    HB2  CYS  12           HB2      CYS  12   3.071  -8.389   4.053
   80    HB3  CYS  12           HB3      CYS  12   1.837  -8.035   2.853
   81    H    GLY  13           HN       GLY  13   1.281  -4.952   4.902
   82    HA2  GLY  13           HA1      GLY  13   1.412  -3.663   7.000
   83    HA3  GLY  13           HA2      GLY  13   2.639  -4.808   7.523
   84    HA   PRO  14           HA       PRO  14   4.633  -1.095   5.417
   85    HB2  PRO  14           HB2      PRO  14   5.953  -0.089   7.543
   86    HB3  PRO  14           HB3      PRO  14   4.277   0.346   7.184
   87    HG2  PRO  14           HG2      PRO  14   5.333  -1.650   9.153
   88    HG3  PRO  14           HG3      PRO  14   4.049  -0.444   9.365
   89    HD2  PRO  14           HD2      PRO  14   3.539  -3.061   8.847
   90    HD3  PRO  14           HD3      PRO  14   2.476  -1.748   8.299
   91    H    ASN  15           HN       ASN  15   5.564  -3.380   4.752
   92    HA   ASN  15           HA       ASN  15   8.396  -3.312   5.470
   93    HB2  ASN  15           HB2      ASN  15   7.351  -5.029   6.914
   94    HB3  ASN  15           HB3      ASN  15   6.764  -5.860   5.476
   95   HD21  ASN  15          HD21      ASN  15   8.556  -6.790   7.577
   96   HD22  ASN  15          HD22      ASN  15  10.016  -7.263   6.785
   97    H    ARG  16           HN       ARG  16   5.974  -4.950   3.426
   98    HA   ARG  16           HA       ARG  16   7.949  -5.273   1.314
   99    HB2  ARG  16           HB2      ARG  16   5.033  -6.066   1.329
  100    HB3  ARG  16           HB3      ARG  16   6.250  -6.572   0.166
  101    HG2  ARG  16           HG2      ARG  16   7.435  -7.792   1.894
  102    HG3  ARG  16           HG3      ARG  16   6.272  -7.240   3.102
  103    HD2  ARG  16           HD2      ARG  16   4.481  -8.397   1.888
  104    HD3  ARG  16           HD3      ARG  16   5.657  -8.964   0.704
  105    HE   ARG  16           HE       ARG  16   6.631  -9.831   3.101
  106   HH11  ARG  16          HH12      ARG  16   3.609 -10.209   1.397
  107   HH12  ARG  16          HH11      ARG  16   3.278 -11.768   2.074
  108   HH21  ARG  16          HH22      ARG  16   6.196 -11.882   3.994
  109   HH22  ARG  16          HH21      ARG  16   4.746 -12.717   3.550
  110    HA   PRO  17           HA       PRO  17   6.493  -1.569  -0.702
  111    HB2  PRO  17           HB2      PRO  17   8.160  -1.583  -2.789
  112    HB3  PRO  17           HB3      PRO  17   8.753  -1.289  -1.148
  113    HG2  PRO  17           HG2      PRO  17   8.872  -3.786  -2.787
  114    HG3  PRO  17           HG3      PRO  17  10.104  -3.084  -1.725
  115    HD2  PRO  17           HD2      PRO  17   8.405  -5.152  -1.022
  116    HD3  PRO  17           HD3      PRO  17   9.232  -4.086   0.130
  117    H    CYS  18           HN       CYS  18   4.636  -1.457  -1.797
  118    HA   CYS  18           HA       CYS  18   4.044  -3.465  -3.846
  119    HB2  CYS  18           HB2      CYS  18   2.241  -1.431  -2.523
  120    HB3  CYS  18           HB3      CYS  18   1.723  -2.645  -3.683
  121    H    ARG  19           HN       ARG  19   2.620  -2.538  -5.692
  122    HA   ARG  19           HA       ARG  19   4.129  -0.311  -6.856
  123    HB2  ARG  19           HB2      ARG  19   2.459  -2.507  -8.065
  124    HB3  ARG  19           HB3      ARG  19   2.967  -1.106  -8.998
  125    HG2  ARG  19           HG2      ARG  19   4.479  -2.918  -9.409
  126    HG3  ARG  19           HG3      ARG  19   5.319  -1.667  -8.492
  127    HD2  ARG  19           HD2      ARG  19   5.844  -3.905  -7.657
  128    HD3  ARG  19           HD3      ARG  19   5.011  -2.939  -6.442
  129    HE   ARG  19           HE       ARG  19   3.059  -4.375  -7.776
  130   HH11  ARG  19          HH12      ARG  19   5.868  -5.075  -5.826
  131   HH12  ARG  19          HH11      ARG  19   5.226  -6.563  -5.214
  132   HH21  ARG  19          HH22      ARG  19   2.215  -6.331  -6.973
  133   HH22  ARG  19          HH21      ARG  19   3.152  -7.276  -5.865
  134    H    ASP  20           HN       ASP  20   3.250   1.634  -6.798
  135    HA   ASP  20           HA       ASP  20   0.387   1.935  -6.368
  136    HB2  ASP  20           HB2      ASP  20   1.925   3.271  -5.005
  137    HB3  ASP  20           HB3      ASP  20   2.603   3.996  -6.459
  138    H    THR  21           HN       THR  21  -1.037   2.774  -7.809
  139    HA   THR  21           HA       THR  21   0.001   3.343 -10.507
  140    HB   THR  21           HB       THR  21  -2.765   2.372  -9.759
  141    HG1  THR  21           HG1      THR  21  -0.933   0.845  -9.538
  142   HG21  THR  21          HG21      THR  21  -1.434   2.705 -12.451
  143   HG22  THR  21          HG22      THR  21  -2.736   3.706 -11.808
  144   HG23  THR  21          HG23      THR  21  -3.028   2.005 -12.171
  145    H    GLY  22           HN       GLY  22  -2.116   4.441  -7.939
  146    HA2  GLY  22           HA1      GLY  22  -2.268   7.051  -9.280
  147    HA3  GLY  22           HA2      GLY  22  -3.755   6.291  -8.734
  148    H    PHE  23           HN       PHE  23  -4.366   7.696  -7.167
  149    HA   PHE  23           HA       PHE  23  -2.431   8.531  -5.144
  150    HB2  PHE  23           HB2      PHE  23  -4.681   9.666  -4.269
  151    HB3  PHE  23           HB3      PHE  23  -3.740  10.364  -5.586
  152    HD1  PHE  23           HD2      PHE  23  -6.742   8.422  -4.741
  153    HD2  PHE  23           HD1      PHE  23  -4.558  10.396  -7.812
  154    HE1  PHE  23           HE2      PHE  23  -8.680   8.223  -6.243
  155    HE2  PHE  23           HE1      PHE  23  -6.488  10.196  -9.320
  156    HZ   PHE  23           HZ       PHE  23  -8.540   9.100  -8.535
  157    H    SME  24           HN       SME  24  -2.016   7.104  -3.589
  158    HA   SME  24           HA       SME  24  -2.298   5.652  -1.863
  159    HB2  SME  24           HB2      SME  24  -5.119   6.739  -1.887
  160    HB3  SME  24           HB1      SME  24  -4.423   5.763  -0.601
  161    HG2  SME  24           HG2      SME  24  -2.768   7.501  -0.170
  162    HG3  SME  24           HG1      SME  24  -3.455   8.479  -1.465
  163    HE1  SME  24           HE1      SME  24  -4.578  10.354   1.878
  164    HE2  SME  24           HE2      SME  24  -3.683  10.529   0.369
  165    HE3  SME  24           HE3      SME  24  -3.061   9.485   1.648
  166    H    SER  25           HN       SER  25  -2.035   4.105  -3.738
  167    HA   SER  25           HA       SER  25  -4.131   2.111  -3.558
  168    HB2  SER  25           HB2      SER  25  -4.834   3.412  -5.516
  169    HB3  SER  25           HB3      SER  25  -3.235   3.218  -6.234
  170    HG   SER  25           HG       SER  25  -5.302   1.362  -5.944
  171    H    CYS  26           HN       CYS  26  -2.069   1.547  -2.294
  172    HA   CYS  26           HA       CYS  26   0.017   0.393  -3.980
  173    HB2  CYS  26           HB2      CYS  26  -0.136   0.616  -0.970
  174    HB3  CYS  26           HB3      CYS  26   1.272   0.127  -1.904
  175    H    ASP  27           HN       ASP  27  -0.394  -1.590  -4.712
  176    HA   ASP  27           HA       ASP  27  -1.416  -3.584  -2.804
  177    HB2  ASP  27           HB2      ASP  27  -3.233  -2.959  -4.327
  178    HB3  ASP  27           HB3      ASP  27  -2.211  -3.325  -5.713
  179    H    CYS  28           HN       CYS  28  -0.069  -5.232  -2.563
  180    HA   CYS  28           HA       CYS  28   2.093  -5.613  -4.472
  181    HB2  CYS  28           HB2      CYS  28   1.538  -6.682  -1.713
  182    HB3  CYS  28           HB3      CYS  28   2.819  -7.351  -2.717
  Start of MODEL   12
    1    H1   PHE   1           H1       PHE   1  -9.341   0.225  -0.548
    2    H2   PHE   1           H2       PHE   1  -8.042   0.518  -1.591
    3    H3   PHE   1           H3       PHE   1  -9.015   1.800  -1.073
    4    HA   PHE   1           HA       PHE   1  -8.283   1.506   1.189
    5    HB2  PHE   1           HB2      PHE   1  -6.307  -0.041   1.545
    6    HB3  PHE   1           HB3      PHE   1  -7.857  -0.832   1.284
    7    HD1  PHE   1           HD2      PHE   1  -4.710   0.147  -0.409
    8    HD2  PHE   1           HD1      PHE   1  -8.141  -2.368  -0.450
    9    HE1  PHE   1           HE2      PHE   1  -3.735  -1.146  -2.260
   10    HE2  PHE   1           HE1      PHE   1  -7.171  -3.668  -2.301
   11    HZ   PHE   1           HZ       PHE   1  -4.965  -3.056  -3.209
   12    H    PHE   2           HN       PHE   2  -6.971   3.120   1.718
   13    HA   PHE   2           HA       PHE   2  -5.206   4.205  -0.327
   14    HB2  PHE   2           HB2      PHE   2  -5.925   5.338   2.384
   15    HB3  PHE   2           HB3      PHE   2  -5.102   6.188   1.080
   16    HD1  PHE   2           HD1      PHE   2  -8.302   4.600   2.041
   17    HD2  PHE   2           HD2      PHE   2  -6.315   7.271  -0.609
   18    HE1  PHE   2           HE1      PHE   2 -10.478   5.343   1.164
   19    HE2  PHE   2           HE2      PHE   2  -8.486   8.018  -1.491
   20    HZ   PHE   2           HZ       PHE   2 -10.572   7.054  -0.603
   21    H    CYS   3           HN       CYS   3  -3.034   4.132  -0.265
   22    HA   CYS   3           HA       CYS   3  -1.798   2.855   2.074
   23    HB2  CYS   3           HB2      CYS   3  -0.002   2.172   0.614
   24    HB3  CYS   3           HB3      CYS   3  -1.533   1.723  -0.128
   25    HA   PRO   4           HA       PRO   4   0.140   6.836   2.764
   26    HB2  PRO   4           HB2      PRO   4   1.274   6.291   5.120
   27    HB3  PRO   4           HB3      PRO   4  -0.480   6.450   4.967
   28    HG2  PRO   4           HG2      PRO   4   1.192   3.978   5.138
   29    HG3  PRO   4           HG3      PRO   4  -0.368   4.329   5.901
   30    HD2  PRO   4           HD2      PRO   4  -0.043   2.849   3.586
   31    HD3  PRO   4           HD3      PRO   4  -1.542   3.674   4.056
   32    H    PHE   5           HN       PHE   5   1.761   3.745   2.683
   33    HA   PHE   5           HA       PHE   5   4.130   4.997   1.558
   34    HB2  PHE   5           HB2      PHE   5   4.550   3.010   3.771
   35    HB3  PHE   5           HB3      PHE   5   5.682   4.185   3.109
   36    HD1  PHE   5           HD2      PHE   5   5.317   6.629   3.620
   37    HD2  PHE   5           HD1      PHE   5   3.240   3.510   5.636
   38    HE1  PHE   5           HE2      PHE   5   4.756   8.185   5.443
   39    HE2  PHE   5           HE1      PHE   5   2.673   5.059   7.460
   40    HZ   PHE   5           HZ       PHE   5   3.430   7.398   7.366
   41    H    GLY   6           HN       GLY   6   2.836   1.902   2.760
   42    HA2  GLY   6           HA1      GLY   6   3.274   0.738   0.109
   43    HA3  GLY   6           HA2      GLY   6   4.067  -0.030   1.477
   44    H    CYS   7           HN       CYS   7   2.992  -1.922   1.685
   45    HA   CYS   7           HA       CYS   7   0.091  -1.953   1.517
   46    HB2  CYS   7           HB2      CYS   7   0.329  -4.403   1.703
   47    HB3  CYS   7           HB3      CYS   7   1.283  -3.733   0.391
   48    H    ALA   8           HN       ALA   8   1.666  -0.716   3.795
   49    HA   ALA   8           HA       ALA   8   1.599  -2.120   6.138
   50    HB1  ALA   8           HB1      ALA   8   1.248   0.063   7.265
   51    HB2  ALA   8           HB2      ALA   8   2.512   0.094   6.035
   52    HB3  ALA   8           HB3      ALA   8   0.926   0.781   5.687
   53    H    LEU   9           HN       LEU   9  -1.098  -0.097   4.931
   54    HA   LEU   9           HA       LEU   9  -2.871  -1.322   6.888
   55    HB2  LEU   9           HB2      LEU   9  -3.259   0.930   4.926
   56    HB3  LEU   9           HB3      LEU   9  -4.538   0.319   5.957
   57    HG   LEU   9           HG       LEU   9  -3.198   0.938   7.948
   58   HD11  LEU   9          HD11      LEU   9  -1.318   2.022   5.863
   59   HD12  LEU   9          HD12      LEU   9  -1.295   2.528   7.553
   60   HD13  LEU   9          HD13      LEU   9  -0.973   0.848   7.132
   61   HD21  LEU   9          HD21      LEU   9  -4.897   2.456   7.084
   62   HD22  LEU   9          HD22      LEU   9  -3.528   3.352   7.744
   63   HD23  LEU   9          HD23      LEU   9  -3.711   3.181   5.998
   64    H    VAL  10           HN       VAL  10  -1.813  -2.709   4.364
   65    HA   VAL  10           HA       VAL  10  -4.456  -3.586   3.407
   66    HB   VAL  10           HB       VAL  10  -1.980  -3.562   1.689
   67   HG11  VAL  10          HG11      VAL  10  -4.903  -3.809   0.993
   68   HG12  VAL  10          HG12      VAL  10  -3.551  -3.867  -0.138
   69   HG13  VAL  10          HG13      VAL  10  -3.752  -5.142   1.064
   70   HG21  VAL  10          HG21      VAL  10  -4.199  -1.521   1.707
   71   HG22  VAL  10          HG22      VAL  10  -2.578  -1.264   2.352
   72   HG23  VAL  10          HG23      VAL  10  -2.804  -1.554   0.627
   73    H    ASP  11           HN       ASP  11  -1.107  -4.694   2.932
   74    HA   ASP  11           HA       ASP  11  -1.627  -7.137   4.406
   75    HB2  ASP  11           HB2      ASP  11  -0.802  -7.260   1.495
   76    HB3  ASP  11           HB3      ASP  11  -1.092  -8.626   2.565
   77    H    CYS  12           HN       CYS  12   0.584  -8.601   3.640
   78    HA   CYS  12           HA       CYS  12   2.740  -8.798   4.408
   79    HB2  CYS  12           HB2      CYS  12   4.211  -7.063   2.982
   80    HB3  CYS  12           HB3      CYS  12   3.511  -8.521   2.296
   81    H    GLY  13           HN       GLY  13   1.209  -6.970   6.082
   82    HA2  GLY  13           HA1      GLY  13   1.513  -5.340   7.683
   83    HA3  GLY  13           HA2      GLY  13   3.119  -6.042   7.807
   84    HA   PRO  14           HA       PRO  14   3.611  -1.711   6.212
   85    HB2  PRO  14           HB2      PRO  14   4.479  -0.447   8.384
   86    HB3  PRO  14           HB3      PRO  14   2.758  -0.797   8.178
   87    HG2  PRO  14           HG2      PRO  14   4.785  -2.186   9.875
   88    HG3  PRO  14           HG3      PRO  14   3.086  -1.824  10.226
   89    HD2  PRO  14           HD2      PRO  14   4.085  -4.272   9.309
   90    HD3  PRO  14           HD3      PRO  14   2.384  -3.767   9.275
   91    H    ASN  15           HN       ASN  15   5.337  -3.419   5.327
   92    HA   ASN  15           HA       ASN  15   7.928  -2.257   5.943
   93    HB2  ASN  15           HB2      ASN  15   7.768  -4.165   7.490
   94    HB3  ASN  15           HB3      ASN  15   7.468  -5.239   6.128
   95   HD21  ASN  15          HD21      ASN  15   9.279  -6.477   6.556
   96   HD22  ASN  15          HD22      ASN  15  10.882  -5.909   6.253
   97    H    ARG  16           HN       ARG  16   6.107  -4.595   3.987
   98    HA   ARG  16           HA       ARG  16   8.079  -4.422   1.859
   99    HB2  ARG  16           HB2      ARG  16   5.474  -5.947   1.950
  100    HB3  ARG  16           HB3      ARG  16   6.732  -6.118   0.734
  101    HG2  ARG  16           HG2      ARG  16   8.275  -6.936   2.445
  102    HG3  ARG  16           HG3      ARG  16   7.007  -6.771   3.662
  103    HD2  ARG  16           HD2      ARG  16   5.628  -8.380   2.410
  104    HD3  ARG  16           HD3      ARG  16   6.932  -8.567   1.239
  105    HE   ARG  16           HE       ARG  16   7.842  -9.092   3.877
  106   HH11  ARG  16          HH12      ARG  16   6.011 -10.487   1.253
  107   HH12  ARG  16          HH11      ARG  16   6.353 -12.120   1.717
  108   HH21  ARG  16          HH22      ARG  16   8.292 -11.239   4.489
  109   HH22  ARG  16          HH21      ARG  16   7.647 -12.547   3.554
  110    HA   PRO  17           HA       PRO  17   5.691  -1.268  -0.204
  111    HB2  PRO  17           HB2      PRO  17   7.346  -0.812  -2.245
  112    HB3  PRO  17           HB3      PRO  17   7.802  -0.382  -0.591
  113    HG2  PRO  17           HG2      PRO  17   8.645  -2.722  -2.243
  114    HG3  PRO  17           HG3      PRO  17   9.600  -1.739  -1.121
  115    HD2  PRO  17           HD2      PRO  17   8.468  -4.212  -0.533
  116    HD3  PRO  17           HD3      PRO  17   9.006  -3.019   0.663
  117    H    CYS  18           HN       CYS  18   4.535  -0.937  -2.174
  118    HA   CYS  18           HA       CYS  18   4.312  -3.285  -3.935
  119    HB2  CYS  18           HB2      CYS  18   2.065  -1.763  -2.618
  120    HB3  CYS  18           HB3      CYS  18   1.825  -2.824  -3.998
  121    H    ARG  19           HN       ARG  19   2.787  -2.639  -5.851
  122    HA   ARG  19           HA       ARG  19   4.013  -0.289  -7.053
  123    HB2  ARG  19           HB2      ARG  19   2.416  -2.598  -8.126
  124    HB3  ARG  19           HB3      ARG  19   2.696  -1.166  -9.102
  125    HG2  ARG  19           HG2      ARG  19   4.305  -2.907  -9.616
  126    HG3  ARG  19           HG3      ARG  19   5.103  -1.497  -8.918
  127    HD2  ARG  19           HD2      ARG  19   4.269  -3.806  -7.200
  128    HD3  ARG  19           HD3      ARG  19   5.783  -3.851  -8.102
  129    HE   ARG  19           HE       ARG  19   5.570  -1.451  -6.609
  130   HH11  ARG  19          HH12      ARG  19   6.220  -4.862  -6.260
  131   HH12  ARG  19          HH11      ARG  19   7.192  -4.658  -4.840
  132   HH21  ARG  19          HH22      ARG  19   6.848  -1.181  -4.743
  133   HH22  ARG  19          HH21      ARG  19   7.548  -2.570  -3.979
  134    H    ASP  20           HN       ASP  20   3.045   1.618  -7.108
  135    HA   ASP  20           HA       ASP  20   0.197   1.796  -6.483
  136    HB2  ASP  20           HB2      ASP  20   0.636   4.203  -6.168
  137    HB3  ASP  20           HB3      ASP  20   1.709   3.211  -5.185
  138    H    THR  21           HN       THR  21  -1.301   2.806  -7.803
  139    HA   THR  21           HA       THR  21  -0.418   3.285 -10.576
  140    HB   THR  21           HB       THR  21  -3.135   2.314  -9.668
  141    HG1  THR  21           HG1      THR  21  -1.307   0.786  -9.532
  142   HG21  THR  21          HG21      THR  21  -3.533   1.929 -12.060
  143   HG22  THR  21          HG22      THR  21  -1.960   2.632 -12.434
  144   HG23  THR  21          HG23      THR  21  -3.227   3.633 -11.724
  145    H    GLY  22           HN       GLY  22  -2.579   4.325  -7.984
  146    HA2  GLY  22           HA1      GLY  22  -2.801   6.932  -9.351
  147    HA3  GLY  22           HA2      GLY  22  -4.205   6.173  -8.617
  148    H    PHE  23           HN       PHE  23  -4.676   7.604  -7.032
  149    HA   PHE  23           HA       PHE  23  -2.549   8.566  -5.273
  150    HB2  PHE  23           HB2      PHE  23  -4.704   9.677  -4.180
  151    HB3  PHE  23           HB3      PHE  23  -3.972  10.338  -5.641
  152    HD1  PHE  23           HD2      PHE  23  -6.751   8.322  -4.326
  153    HD2  PHE  23           HD1      PHE  23  -5.086  10.260  -7.727
  154    HE1  PHE  23           HE2      PHE  23  -8.860   7.984  -5.548
  155    HE2  PHE  23           HE1      PHE  23  -7.188   9.922  -8.954
  156    HZ   PHE  23           HZ       PHE  23  -9.065   8.776  -7.865
  157    H    SME  24           HN       SME  24  -1.907   7.116  -3.795
  158    HA   SME  24           HA       SME  24  -1.952   5.688  -2.027
  159    HB2  SME  24           HB2      SME  24  -4.704   6.880  -1.654
  160    HB3  SME  24           HB1      SME  24  -3.890   5.865  -0.473
  161    HG2  SME  24           HG2      SME  24  -2.105   7.513  -0.278
  162    HG3  SME  24           HG1      SME  24  -2.909   8.530  -1.472
  163    HE1  SME  24           HE1      SME  24  -2.725  10.559   0.411
  164    HE2  SME  24           HE2      SME  24  -2.033   9.449   1.594
  165    HE3  SME  24           HE3      SME  24  -3.442  10.424   2.017
  166    H    SER  25           HN       SER  25  -1.965   4.062  -3.803
  167    HA   SER  25           HA       SER  25  -4.093   2.155  -3.345
  168    HB2  SER  25           HB2      SER  25  -4.966   3.426  -5.258
  169    HB3  SER  25           HB3      SER  25  -3.462   3.157  -6.137
  170    HG   SER  25           HG       SER  25  -3.933   0.886  -5.992
  171    H    CYS  26           HN       CYS  26  -1.961   1.523  -2.289
  172    HA   CYS  26           HA       CYS  26   0.000   0.393  -4.112
  173    HB2  CYS  26           HB2      CYS  26  -0.075   0.498  -1.095
  174    HB3  CYS  26           HB3      CYS  26   1.281  -0.075  -2.058
  175    H    ASP  27           HN       ASP  27  -0.197  -1.593  -4.856
  176    HA   ASP  27           HA       ASP  27  -1.152  -3.716  -3.092
  177    HB2  ASP  27           HB2      ASP  27  -2.647  -4.615  -4.834
  178    HB3  ASP  27           HB3      ASP  27  -3.153  -3.014  -4.304
  179    H    CYS  28           HN       CYS  28   0.133  -5.439  -3.222
  180    HA   CYS  28           HA       CYS  28   2.142  -5.533  -5.326
  181    HB2  CYS  28           HB2      CYS  28   1.776  -7.069  -2.756
  182    HB3  CYS  28           HB3      CYS  28   3.019  -7.476  -3.932
  Start of MODEL   13
    1    H1   PHE   1           H1       PHE   1  -9.355   0.158  -1.334
    2    H2   PHE   1           H2       PHE   1  -7.828   0.279  -2.052
    3    H3   PHE   1           H3       PHE   1  -8.882   1.602  -2.080
    4    HA   PHE   1           HA       PHE   1  -8.760   1.809   0.306
    5    HB2  PHE   1           HB2      PHE   1  -7.086   0.455   1.537
    6    HB3  PHE   1           HB3      PHE   1  -8.387  -0.524   0.868
    7    HD1  PHE   1           HD2      PHE   1  -7.977  -1.952  -1.093
    8    HD2  PHE   1           HD1      PHE   1  -4.835   0.183   0.824
    9    HE1  PHE   1           HE2      PHE   1  -6.322  -3.387  -2.216
   10    HE2  PHE   1           HE1      PHE   1  -3.175  -1.246  -0.293
   11    HZ   PHE   1           HZ       PHE   1  -3.917  -3.035  -1.816
   12    H    PHE   2           HN       PHE   2  -7.489   3.456   0.954
   13    HA   PHE   2           HA       PHE   2  -5.382   4.294  -0.863
   14    HB2  PHE   2           HB2      PHE   2  -5.457   6.414   0.416
   15    HB3  PHE   2           HB3      PHE   2  -7.035   5.952  -0.210
   16    HD1  PHE   2           HD2      PHE   2  -4.965   6.239   2.808
   17    HD2  PHE   2           HD1      PHE   2  -8.834   5.389   1.254
   18    HE1  PHE   2           HE2      PHE   2  -5.909   6.415   5.074
   19    HE2  PHE   2           HE1      PHE   2  -9.785   5.563   3.516
   20    HZ   PHE   2           HZ       PHE   2  -8.323   6.077   5.430
   21    H    CYS   3           HN       CYS   3  -3.259   4.197  -0.448
   22    HA   CYS   3           HA       CYS   3  -2.435   3.227   2.196
   23    HB2  CYS   3           HB2      CYS   3  -0.404   2.418   1.117
   24    HB3  CYS   3           HB3      CYS   3  -1.825   1.798   0.283
   25    HA   PRO   4           HA       PRO   4  -0.726   7.359   2.671
   26    HB2  PRO   4           HB2      PRO   4  -0.082   7.164   5.272
   27    HB3  PRO   4           HB3      PRO   4  -1.758   7.335   4.739
   28    HG2  PRO   4           HG2      PRO   4  -0.280   4.877   5.585
   29    HG3  PRO   4           HG3      PRO   4  -1.932   5.381   5.983
   30    HD2  PRO   4           HD2      PRO   4  -1.324   3.549   4.037
   31    HD3  PRO   4           HD3      PRO   4  -2.785   4.558   4.022
   32    H    PHE   5           HN       PHE   5   0.863   4.347   3.516
   33    HA   PHE   5           HA       PHE   5   3.449   5.588   2.872
   34    HB2  PHE   5           HB2      PHE   5   3.159   3.515   5.043
   35    HB3  PHE   5           HB3      PHE   5   4.548   4.538   4.693
   36    HD1  PHE   5           HD2      PHE   5   4.351   7.021   5.128
   37    HD2  PHE   5           HD1      PHE   5   1.513   4.187   6.553
   38    HE1  PHE   5           HE2      PHE   5   3.553   8.657   6.783
   39    HE2  PHE   5           HE1      PHE   5   0.709   5.818   8.209
   40    HZ   PHE   5           HZ       PHE   5   1.729   8.056   8.326
   41    H    GLY   6           HN       GLY   6   2.097   2.393   3.690
   42    HA2  GLY   6           HA1      GLY   6   2.811   1.383   1.060
   43    HA3  GLY   6           HA2      GLY   6   3.698   0.681   2.407
   44    H    CYS   7           HN       CYS   7   2.871  -1.372   2.307
   45    HA   CYS   7           HA       CYS   7  -0.016  -1.732   2.293
   46    HB2  CYS   7           HB2      CYS   7   0.441  -4.098   2.008
   47    HB3  CYS   7           HB3      CYS   7   1.402  -3.172   0.867
   48    H    ALA   8           HN       ALA   8   0.901  -0.432   4.552
   49    HA   ALA   8           HA       ALA   8   1.560  -1.880   6.789
   50    HB1  ALA   8           HB1      ALA   8   1.401   0.546   6.776
   51    HB2  ALA   8           HB2      ALA   8  -0.354   0.444   6.639
   52    HB3  ALA   8           HB3      ALA   8   0.452  -0.134   8.097
   53    H    LEU   9           HN       LEU   9  -1.802  -0.840   6.273
   54    HA   LEU   9           HA       LEU   9  -2.692  -3.247   7.668
   55    HB2  LEU   9           HB2      LEU   9  -4.084  -0.681   6.951
   56    HB3  LEU   9           HB3      LEU   9  -4.922  -2.063   7.633
   57    HG   LEU   9           HG       LEU   9  -4.479  -0.563   9.414
   58   HD11  LEU   9          HD11      LEU   9  -3.138  -1.894  10.909
   59   HD12  LEU   9          HD12      LEU   9  -4.116  -2.949   9.889
   60   HD13  LEU   9          HD13      LEU   9  -2.400  -2.733   9.544
   61   HD21  LEU   9          HD21      LEU   9  -1.574  -0.588   8.622
   62   HD22  LEU   9          HD22      LEU   9  -2.702   0.723   8.276
   63   HD23  LEU   9          HD23      LEU   9  -2.303   0.321   9.946
   64    H    VAL  10           HN       VAL  10  -1.719  -3.319   4.897
   65    HA   VAL  10           HA       VAL  10  -4.188  -3.998   3.469
   66    HB   VAL  10           HB       VAL  10  -1.418  -3.570   2.357
   67   HG11  VAL  10          HG11      VAL  10  -4.039  -4.038   0.944
   68   HG12  VAL  10          HG12      VAL  10  -2.510  -3.631   0.164
   69   HG13  VAL  10          HG13      VAL  10  -2.683  -5.163   1.022
   70   HG21  VAL  10          HG21      VAL  10  -3.865  -1.825   2.164
   71   HG22  VAL  10          HG22      VAL  10  -2.480  -1.523   3.212
   72   HG23  VAL  10          HG23      VAL  10  -2.281  -1.496   1.461
   73    H    ASP  11           HN       ASP  11  -0.943  -5.341   2.840
   74    HA   ASP  11           HA       ASP  11  -1.784  -7.915   3.882
   75    HB2  ASP  11           HB2      ASP  11  -2.675  -7.708   1.513
   76    HB3  ASP  11           HB3      ASP  11  -0.992  -7.728   0.983
   77    H    CYS  12           HN       CYS  12   0.395  -6.177   4.598
   78    HA   CYS  12           HA       CYS  12   2.419  -7.995   4.960
   79    HB2  CYS  12           HB2      CYS  12   4.137  -7.027   3.267
   80    HB3  CYS  12           HB3      CYS  12   2.988  -8.249   2.738
   81    H    GLY  13           HN       GLY  13   1.185  -5.583   6.144
   82    HA2  GLY  13           HA1      GLY  13   1.788  -3.741   7.388
   83    HA3  GLY  13           HA2      GLY  13   3.240  -4.670   7.706
   84    HA   PRO  14           HA       PRO  14   4.320  -0.816   5.259
   85    HB2  PRO  14           HB2      PRO  14   5.412   0.708   7.169
   86    HB3  PRO  14           HB3      PRO  14   3.662   0.656   6.921
   87    HG2  PRO  14           HG2      PRO  14   5.327  -0.737   8.980
   88    HG3  PRO  14           HG3      PRO  14   3.759   0.071   9.167
   89    HD2  PRO  14           HD2      PRO  14   4.082  -2.651   8.900
   90    HD3  PRO  14           HD3      PRO  14   2.597  -1.774   8.481
   91    H    ASN  15           HN       ASN  15   5.728  -2.913   4.797
   92    HA   ASN  15           HA       ASN  15   8.483  -2.091   5.218
   93    HB2  ASN  15           HB2      ASN  15   7.513  -4.839   6.025
   94    HB3  ASN  15           HB3      ASN  15   9.198  -4.333   5.966
   95   HD21  ASN  15          HD21      ASN  15   9.972  -2.883   7.501
   96   HD22  ASN  15          HD22      ASN  15   9.127  -2.574   8.975
   97    H    ARG  16           HN       ARG  16   6.203  -4.306   3.681
   98    HA   ARG  16           HA       ARG  16   8.148  -5.027   1.646
   99    HB2  ARG  16           HB2      ARG  16   5.305  -5.880   2.177
  100    HB3  ARG  16           HB3      ARG  16   6.182  -6.371   0.736
  101    HG2  ARG  16           HG2      ARG  16   6.296  -8.119   2.375
  102    HG3  ARG  16           HG3      ARG  16   7.898  -7.411   2.169
  103    HD2  ARG  16           HD2      ARG  16   7.636  -6.129   4.200
  104    HD3  ARG  16           HD3      ARG  16   5.975  -6.695   4.379
  105    HE   ARG  16           HE       ARG  16   7.869  -8.836   4.277
  106   HH11  ARG  16          HH12      ARG  16   6.406  -6.460   6.373
  107   HH12  ARG  16          HH11      ARG  16   6.681  -7.380   7.814
  108   HH21  ARG  16          HH22      ARG  16   8.231 -10.047   6.171
  109   HH22  ARG  16          HH21      ARG  16   7.717  -9.416   7.699
  110    HA   PRO  17           HA       PRO  17   6.727  -1.871  -1.127
  111    HB2  PRO  17           HB2      PRO  17   7.979  -2.661  -3.365
  112    HB3  PRO  17           HB3      PRO  17   8.873  -2.021  -1.980
  113    HG2  PRO  17           HG2      PRO  17   8.465  -4.863  -2.822
  114    HG3  PRO  17           HG3      PRO  17   9.937  -4.072  -2.230
  115    HD2  PRO  17           HD2      PRO  17   8.293  -5.619  -0.668
  116    HD3  PRO  17           HD3      PRO  17   9.333  -4.327  -0.036
  117    H    CYS  18           HN       CYS  18   5.337  -1.548  -2.916
  118    HA   CYS  18           HA       CYS  18   4.096  -3.885  -4.142
  119    HB2  CYS  18           HB2      CYS  18   2.375  -1.781  -2.828
  120    HB3  CYS  18           HB3      CYS  18   1.867  -3.322  -3.507
  121    H    ARG  19           HN       ARG  19   2.414  -3.130  -5.810
  122    HA   ARG  19           HA       ARG  19   3.678  -1.033  -7.383
  123    HB2  ARG  19           HB2      ARG  19   1.605  -3.128  -7.999
  124    HB3  ARG  19           HB3      ARG  19   1.968  -1.827  -9.123
  125    HG2  ARG  19           HG2      ARG  19   3.178  -3.858  -9.691
  126    HG3  ARG  19           HG3      ARG  19   4.286  -2.558  -9.248
  127    HD2  ARG  19           HD2      ARG  19   4.578  -3.514  -7.045
  128    HD3  ARG  19           HD3      ARG  19   3.383  -4.761  -7.396
  129    HE   ARG  19           HE       ARG  19   5.367  -4.938  -9.337
  130   HH11  ARG  19          HH12      ARG  19   5.056  -5.354  -5.886
  131   HH12  ARG  19          HH11      ARG  19   6.324  -6.530  -5.788
  132   HH21  ARG  19          HH22      ARG  19   7.033  -6.484  -9.211
  133   HH22  ARG  19          HH21      ARG  19   7.447  -7.172  -7.675
  134    H    ASP  20           HN       ASP  20   2.785   0.891  -7.895
  135    HA   ASP  20           HA       ASP  20   0.147   1.490  -6.727
  136    HB2  ASP  20           HB2      ASP  20   0.924   3.814  -6.474
  137    HB3  ASP  20           HB3      ASP  20   1.947   2.688  -5.588
  138    H    THR  21           HN       THR  21  -1.305   2.729  -7.901
  139    HA   THR  21           HA       THR  21  -0.702   2.941 -10.775
  140    HB   THR  21           HB       THR  21  -3.412   2.778  -9.440
  141    HG1  THR  21           HG1      THR  21  -3.407   0.650 -10.342
  142   HG21  THR  21          HG21      THR  21  -3.436   4.001 -11.570
  143   HG22  THR  21          HG22      THR  21  -4.270   2.453 -11.704
  144   HG23  THR  21          HG23      THR  21  -2.642   2.638 -12.358
  145    H    GLY  22           HN       GLY  22  -1.747   4.687  -7.948
  146    HA2  GLY  22           HA1      GLY  22  -1.305   7.198  -9.299
  147    HA3  GLY  22           HA2      GLY  22  -2.986   6.915  -8.873
  148    H    PHE  23           HN       PHE  23  -3.425   8.188  -7.194
  149    HA   PHE  23           HA       PHE  23  -1.415   8.619  -5.117
  150    HB2  PHE  23           HB2      PHE  23  -3.465  10.061  -4.214
  151    HB3  PHE  23           HB3      PHE  23  -2.415  10.652  -5.501
  152    HD1  PHE  23           HD2      PHE  23  -5.689   9.164  -4.744
  153    HD2  PHE  23           HD1      PHE  23  -3.200  10.907  -7.721
  154    HE1  PHE  23           HE2      PHE  23  -7.620   9.325  -6.258
  155    HE2  PHE  23           HE1      PHE  23  -5.124  11.068  -9.242
  156    HZ   PHE  23           HZ       PHE  23  -7.326  10.267  -8.510
  157    H    SME  24           HN       SME  24  -1.271   7.204  -3.513
  158    HA   SME  24           HA       SME  24  -1.809   5.733  -1.865
  159    HB2  SME  24           HB2      SME  24  -4.514   7.083  -1.949
  160    HB3  SME  24           HB1      SME  24  -3.871   6.117  -0.628
  161    HG2  SME  24           HG2      SME  24  -2.096   7.767  -0.289
  162    HG3  SME  24           HG1      SME  24  -2.761   8.738  -1.601
  163    HE1  SME  24           HE1      SME  24  -6.321   9.655   0.007
  164    HE2  SME  24           HE2      SME  24  -5.978   8.218  -0.957
  165    HE3  SME  24           HE3      SME  24  -5.339   9.785  -1.452
  166    H    SER  25           HN       SER  25  -1.639   4.185  -3.695
  167    HA   SER  25           HA       SER  25  -3.986   2.490  -3.755
  168    HB2  SER  25           HB2      SER  25  -3.967   2.262  -6.218
  169    HB3  SER  25           HB3      SER  25  -4.355   3.909  -5.722
  170    HG   SER  25           HG       SER  25  -1.993   4.274  -6.010
  171    H    CYS  26           HN       CYS  26  -2.161   1.609  -2.351
  172    HA   CYS  26           HA       CYS  26  -0.005   0.348  -3.835
  173    HB2  CYS  26           HB2      CYS  26  -0.661   0.356  -0.887
  174    HB3  CYS  26           HB3      CYS  26   0.787  -0.351  -1.597
  175    H    ASP  27           HN       ASP  27  -0.295  -1.553  -4.759
  176    HA   ASP  27           HA       ASP  27  -1.816  -3.616  -3.340
  177    HB2  ASP  27           HB2      ASP  27  -3.355  -2.627  -4.982
  178    HB3  ASP  27           HB3      ASP  27  -2.190  -2.937  -6.266
  179    H    CYS  28           HN       CYS  28  -0.386  -5.170  -2.985
  180    HA   CYS  28           HA       CYS  28   1.488  -5.879  -5.147
  181    HB2  CYS  28           HB2      CYS  28   2.759  -6.901  -3.033
  182    HB3  CYS  28           HB3      CYS  28   3.001  -5.245  -3.566
  Start of MODEL   14
    1    H1   PHE   1           H1       PHE   1  -9.128   1.637  -1.573
    2    H2   PHE   1           H2       PHE   1  -9.550   0.180  -0.824
    3    H3   PHE   1           H3       PHE   1  -8.109   0.293  -1.701
    4    HA   PHE   1           HA       PHE   1  -8.728   1.798   0.771
    5    HB2  PHE   1           HB2      PHE   1  -6.993   0.333   1.799
    6    HB3  PHE   1           HB3      PHE   1  -8.434  -0.543   1.294
    7    HD1  PHE   1           HD1      PHE   1  -8.368  -1.877  -0.821
    8    HD2  PHE   1           HD2      PHE   1  -4.876  -0.198   0.935
    9    HE1  PHE   1           HE1      PHE   1  -6.973  -3.421  -2.133
   10    HE2  PHE   1           HE2      PHE   1  -3.474  -1.738  -0.373
   11    HZ   PHE   1           HZ       PHE   1  -4.521  -3.352  -1.910
   12    H    PHE   2           HN       PHE   2  -7.399   3.439   1.213
   13    HA   PHE   2           HA       PHE   2  -5.353   4.109  -0.743
   14    HB2  PHE   2           HB2      PHE   2  -5.301   6.294   0.408
   15    HB3  PHE   2           HB3      PHE   2  -6.929   5.852  -0.097
   16    HD1  PHE   2           HD2      PHE   2  -4.683   6.318   2.756
   17    HD2  PHE   2           HD1      PHE   2  -8.638   5.350   1.519
   18    HE1  PHE   2           HE2      PHE   2  -5.479   6.646   5.060
   19    HE2  PHE   2           HE1      PHE   2  -9.442   5.678   3.822
   20    HZ   PHE   2           HZ       PHE   2  -7.862   6.327   5.595
   21    H    CYS   3           HN       CYS   3  -3.190   4.183  -0.360
   22    HA   CYS   3           HA       CYS   3  -2.290   3.138   2.229
   23    HB2  CYS   3           HB2      CYS   3  -0.242   2.466   1.090
   24    HB3  CYS   3           HB3      CYS   3  -1.647   1.818   0.255
   25    HA   PRO   4           HA       PRO   4  -0.874   7.380   2.875
   26    HB2  PRO   4           HB2      PRO   4  -0.043   6.415   5.508
   27    HB3  PRO   4           HB3      PRO   4  -1.249   7.636   5.097
   28    HG2  PRO   4           HG2      PRO   4  -1.899   5.213   6.115
   29    HG3  PRO   4           HG3      PRO   4  -2.957   6.109   5.012
   30    HD2  PRO   4           HD2      PRO   4  -1.149   3.794   4.448
   31    HD3  PRO   4           HD3      PRO   4  -2.770   4.143   3.811
   32    H    PHE   5           HN       PHE   5   0.917   4.480   3.834
   33    HA   PHE   5           HA       PHE   5   3.411   5.844   3.051
   34    HB2  PHE   5           HB2      PHE   5   3.450   3.610   5.041
   35    HB3  PHE   5           HB3      PHE   5   4.569   4.955   4.851
   36    HD1  PHE   5           HD2      PHE   5   1.357   3.887   6.242
   37    HD2  PHE   5           HD1      PHE   5   4.155   7.076   5.909
   38    HE1  PHE   5           HE2      PHE   5   0.206   5.081   8.060
   39    HE2  PHE   5           HE1      PHE   5   3.008   8.277   7.727
   40    HZ   PHE   5           HZ       PHE   5   1.029   7.278   8.803
   41    H    GLY   6           HN       GLY   6   2.165   2.571   3.709
   42    HA2  GLY   6           HA1      GLY   6   2.957   1.720   1.037
   43    HA3  GLY   6           HA2      GLY   6   3.787   0.940   2.376
   44    H    CYS   7           HN       CYS   7   2.958  -1.106   2.110
   45    HA   CYS   7           HA       CYS   7   0.071  -1.442   1.974
   46    HB2  CYS   7           HB2      CYS   7   0.476  -3.711   1.417
   47    HB3  CYS   7           HB3      CYS   7   1.691  -2.782   0.555
   48    H    ALA   8           HN       ALA   8   0.922  -0.287   4.334
   49    HA   ALA   8           HA       ALA   8   1.514  -1.853   6.500
   50    HB1  ALA   8           HB1      ALA   8   0.370  -0.176   7.872
   51    HB2  ALA   8           HB2      ALA   8   1.375   0.561   6.625
   52    HB3  ALA   8           HB3      ALA   8  -0.375   0.492   6.419
   53    H    LEU   9           HN       LEU   9  -1.838  -0.760   6.035
   54    HA   LEU   9           HA       LEU   9  -2.750  -3.221   7.312
   55    HB2  LEU   9           HB2      LEU   9  -4.269  -0.721   6.570
   56    HB3  LEU   9           HB3      LEU   9  -4.927  -2.081   7.459
   57    HG   LEU   9           HG       LEU   9  -2.715  -0.255   8.403
   58   HD11  LEU   9          HD11      LEU   9  -4.352   0.473  10.065
   59   HD12  LEU   9          HD12      LEU   9  -4.903   0.811   8.425
   60   HD13  LEU   9          HD13      LEU   9  -5.573  -0.555   9.315
   61   HD21  LEU   9          HD21      LEU   9  -4.063  -2.571   9.786
   62   HD22  LEU   9          HD22      LEU   9  -2.398  -2.533   9.206
   63   HD23  LEU   9          HD23      LEU   9  -2.899  -1.468  10.519
   64    H    VAL  10           HN       VAL  10  -1.756  -3.444   4.645
   65    HA   VAL  10           HA       VAL  10  -4.215  -3.932   3.120
   66    HB   VAL  10           HB       VAL  10  -1.381  -3.731   2.101
   67   HG11  VAL  10          HG11      VAL  10  -2.406  -3.716  -0.123
   68   HG12  VAL  10          HG12      VAL  10  -2.736  -5.221   0.734
   69   HG13  VAL  10          HG13      VAL  10  -3.987  -3.984   0.609
   70   HG21  VAL  10          HG21      VAL  10  -2.240  -1.594   2.896
   71   HG22  VAL  10          HG22      VAL  10  -2.093  -1.603   1.138
   72   HG23  VAL  10          HG23      VAL  10  -3.676  -1.791   1.892
   73    H    ASP  11           HN       ASP  11  -1.073  -5.511   2.597
   74    HA   ASP  11           HA       ASP  11  -2.080  -8.016   3.660
   75    HB2  ASP  11           HB2      ASP  11  -2.816  -7.690   1.179
   76    HB3  ASP  11           HB3      ASP  11  -1.123  -8.034   0.819
   77    H    CYS  12           HN       CYS  12   0.118  -6.379   4.440
   78    HA   CYS  12           HA       CYS  12   2.135  -8.322   4.578
   79    HB2  CYS  12           HB2      CYS  12   3.811  -6.709   3.215
   80    HB3  CYS  12           HB3      CYS  12   2.979  -8.086   2.500
   81    H    GLY  13           HN       GLY  13   1.588  -4.803   4.588
   82    HA2  GLY  13           HA1      GLY  13   1.762  -3.738   6.805
   83    HA3  GLY  13           HA2      GLY  13   3.190  -4.723   7.074
   84    HA   PRO  14           HA       PRO  14   4.369  -0.544   5.251
   85    HB2  PRO  14           HB2      PRO  14   5.505   0.599   7.404
   86    HB3  PRO  14           HB3      PRO  14   3.763   0.684   7.110
   87    HG2  PRO  14           HG2      PRO  14   5.290  -1.126   8.943
   88    HG3  PRO  14           HG3      PRO  14   3.773  -0.256   9.239
   89    HD2  PRO  14           HD2      PRO  14   3.890  -2.902   8.563
   90    HD3  PRO  14           HD3      PRO  14   2.510  -1.854   8.184
   91    H    ASN  15           HN       ASN  15   5.687  -2.839   4.721
   92    HA   ASN  15           HA       ASN  15   8.455  -2.018   4.982
   93    HB2  ASN  15           HB2      ASN  15   9.228  -4.206   5.781
   94    HB3  ASN  15           HB3      ASN  15   8.155  -3.439   6.946
   95   HD21  ASN  15          HD21      ASN  15   8.618  -6.077   4.787
   96   HD22  ASN  15          HD22      ASN  15   7.215  -6.977   5.243
   97    H    ARG  16           HN       ARG  16   6.036  -4.121   3.547
   98    HA   ARG  16           HA       ARG  16   7.876  -5.006   1.479
   99    HB2  ARG  16           HB2      ARG  16   4.922  -5.556   1.819
  100    HB3  ARG  16           HB3      ARG  16   5.983  -6.334   0.654
  101    HG2  ARG  16           HG2      ARG  16   6.148  -6.549   3.650
  102    HG3  ARG  16           HG3      ARG  16   5.596  -7.794   2.531
  103    HD2  ARG  16           HD2      ARG  16   7.817  -7.871   1.515
  104    HD3  ARG  16           HD3      ARG  16   8.370  -6.613   2.616
  105    HE   ARG  16           HE       ARG  16   8.498  -8.171   4.309
  106   HH11  ARG  16          HH12      ARG  16   6.882  -9.572   1.549
  107   HH12  ARG  16          HH11      ARG  16   6.965 -11.187   2.166
  108   HH21  ARG  16          HH22      ARG  16   8.603 -10.294   5.119
  109   HH22  ARG  16          HH21      ARG  16   7.941 -11.598   4.191
  110    HA   PRO  17           HA       PRO  17   6.587  -1.680  -1.201
  111    HB2  PRO  17           HB2      PRO  17   8.116  -2.265  -3.314
  112    HB3  PRO  17           HB3      PRO  17   8.826  -1.690  -1.800
  113    HG2  PRO  17           HG2      PRO  17   8.664  -4.472  -2.880
  114    HG3  PRO  17           HG3      PRO  17  10.004  -3.672  -2.042
  115    HD2  PRO  17           HD2      PRO  17   8.207  -5.402  -0.849
  116    HD3  PRO  17           HD3      PRO  17   9.174  -4.192   0.017
  117    H    CYS  18           HN       CYS  18   4.890  -1.451  -2.529
  118    HA   CYS  18           HA       CYS  18   4.063  -3.763  -4.162
  119    HB2  CYS  18           HB2      CYS  18   2.308  -1.766  -2.720
  120    HB3  CYS  18           HB3      CYS  18   1.718  -2.980  -3.850
  121    H    ARG  19           HN       ARG  19   2.379  -2.961  -5.867
  122    HA   ARG  19           HA       ARG  19   3.759  -0.921  -7.417
  123    HB2  ARG  19           HB2      ARG  19   1.477  -2.765  -8.148
  124    HB3  ARG  19           HB3      ARG  19   2.275  -1.662  -9.260
  125    HG2  ARG  19           HG2      ARG  19   3.619  -3.940  -7.819
  126    HG3  ARG  19           HG3      ARG  19   3.060  -3.975  -9.492
  127    HD2  ARG  19           HD2      ARG  19   4.575  -2.110 -10.016
  128    HD3  ARG  19           HD3      ARG  19   5.153  -2.127  -8.351
  129    HE   ARG  19           HE       ARG  19   5.563  -4.674  -9.223
  130   HH11  ARG  19          HH12      ARG  19   6.505  -1.519 -10.381
  131   HH12  ARG  19          HH11      ARG  19   7.975  -2.083 -11.100
  132   HH21  ARG  19          HH22      ARG  19   7.497  -5.418 -10.169
  133   HH22  ARG  19          HH21      ARG  19   8.540  -4.297 -10.979
  134    H    ASP  20           HN       ASP  20   3.115   1.118  -7.495
  135    HA   ASP  20           HA       ASP  20   0.506   1.838  -6.409
  136    HB2  ASP  20           HB2      ASP  20   2.847   3.576  -7.220
  137    HB3  ASP  20           HB3      ASP  20   1.373   4.149  -6.444
  138    H    THR  21           HN       THR  21  -1.172   2.341  -7.645
  139    HA   THR  21           HA       THR  21  -0.809   2.542 -10.526
  140    HB   THR  21           HB       THR  21  -3.375   2.519  -8.922
  141    HG1  THR  21           HG1      THR  21  -3.196   0.406  -8.932
  142   HG21  THR  21          HG21      THR  21  -3.638   3.506 -11.145
  143   HG22  THR  21          HG22      THR  21  -4.428   1.932 -11.061
  144   HG23  THR  21          HG23      THR  21  -2.871   2.094 -11.872
  145    H    GLY  22           HN       GLY  22  -1.652   4.541  -7.791
  146    HA2  GLY  22           HA1      GLY  22  -1.247   6.932  -9.315
  147    HA3  GLY  22           HA2      GLY  22  -2.942   6.678  -8.929
  148    H    PHE  23           HN       PHE  23  -3.530   7.904  -7.278
  149    HA   PHE  23           HA       PHE  23  -1.571   8.634  -5.237
  150    HB2  PHE  23           HB2      PHE  23  -3.755   9.921  -4.403
  151    HB3  PHE  23           HB3      PHE  23  -2.751  10.544  -5.712
  152    HD1  PHE  23           HD2      PHE  23  -5.888   8.817  -4.894
  153    HD2  PHE  23           HD1      PHE  23  -3.531  10.602  -7.952
  154    HE1  PHE  23           HE2      PHE  23  -7.812   8.731  -6.424
  155    HE2  PHE  23           HE1      PHE  23  -5.446  10.513  -9.489
  156    HZ   PHE  23           HZ       PHE  23  -7.580   9.569  -8.723
  157    H    SME  24           HN       SME  24  -1.268   7.169  -3.684
  158    HA   SME  24           HA       SME  24  -1.670   5.758  -1.947
  159    HB2  SME  24           HB2      SME  24  -4.466   6.906  -1.981
  160    HB3  SME  24           HB1      SME  24  -3.692   6.066  -0.644
  161    HG2  SME  24           HG2      SME  24  -2.054   7.869  -0.457
  162    HG3  SME  24           HG1      SME  24  -2.833   8.710  -1.796
  163    HE1  SME  24           HE1      SME  24  -5.979   8.013  -1.036
  164    HE2  SME  24           HE2      SME  24  -5.457   9.593  -1.620
  165    HE3  SME  24           HE3      SME  24  -6.394   9.469  -0.131
  166    H    SER  25           HN       SER  25  -1.440   4.109  -3.645
  167    HA   SER  25           HA       SER  25  -3.721   2.322  -3.633
  168    HB2  SER  25           HB2      SER  25  -2.468   3.252  -6.232
  169    HB3  SER  25           HB3      SER  25  -3.648   1.952  -6.079
  170    HG   SER  25           HG       SER  25  -4.521   4.056  -6.657
  171    H    CYS  26           HN       CYS  26  -1.933   1.545  -2.157
  172    HA   CYS  26           HA       CYS  26   0.239   0.207  -3.588
  173    HB2  CYS  26           HB2      CYS  26  -0.191   0.516  -0.614
  174    HB3  CYS  26           HB3      CYS  26   1.264  -0.084  -1.403
  175    H    ASP  27           HN       ASP  27  -0.282  -1.746  -4.326
  176    HA   ASP  27           HA       ASP  27  -1.394  -3.687  -2.450
  177    HB2  ASP  27           HB2      ASP  27  -3.334  -2.808  -3.681
  178    HB3  ASP  27           HB3      ASP  27  -2.553  -3.214  -5.206
  179    H    CYS  28           HN       CYS  28  -0.107  -5.396  -2.450
  180    HA   CYS  28           HA       CYS  28   1.672  -5.875  -4.702
  181    HB2  CYS  28           HB2      CYS  28   1.511  -6.981  -1.906
  182    HB3  CYS  28           HB3      CYS  28   2.562  -7.698  -3.121
  Start of MODEL   15
    1    H1   PHE   1           H1       PHE   1  -8.431  -0.061  -1.117
    2    H2   PHE   1           H2       PHE   1  -9.356   1.311  -0.766
    3    H3   PHE   1           H3       PHE   1  -9.728  -0.169  -0.034
    4    HA   PHE   1           HA       PHE   1  -8.607   1.297   1.509
    5    HB2  PHE   1           HB2      PHE   1  -6.775  -0.259   2.147
    6    HB3  PHE   1           HB3      PHE   1  -8.292  -1.085   1.805
    7    HD1  PHE   1           HD1      PHE   1  -8.540  -2.470  -0.169
    8    HD2  PHE   1           HD2      PHE   1  -4.860  -0.521   0.710
    9    HE1  PHE   1           HE1      PHE   1  -7.391  -3.913  -1.797
   10    HE2  PHE   1           HE2      PHE   1  -3.704  -1.960  -0.917
   11    HZ   PHE   1           HZ       PHE   1  -4.970  -3.659  -2.173
   12    H    PHE   2           HN       PHE   2  -7.211   2.908   1.815
   13    HA   PHE   2           HA       PHE   2  -5.447   3.639  -0.382
   14    HB2  PHE   2           HB2      PHE   2  -6.020   5.155   2.171
   15    HB3  PHE   2           HB3      PHE   2  -5.243   5.784   0.723
   16    HD1  PHE   2           HD1      PHE   2  -6.574   6.040  -1.368
   17    HD2  PHE   2           HD2      PHE   2  -8.364   5.090   2.373
   18    HE1  PHE   2           HE1      PHE   2  -8.766   6.741  -2.243
   19    HE2  PHE   2           HE2      PHE   2 -10.558   5.788   1.506
   20    HZ   PHE   2           HZ       PHE   2 -10.762   6.614  -0.806
   21    H    CYS   3           HN       CYS   3  -3.221   4.146  -0.084
   22    HA   CYS   3           HA       CYS   3  -1.969   3.163   2.367
   23    HB2  CYS   3           HB2      CYS   3  -0.928   2.317  -0.330
   24    HB3  CYS   3           HB3      CYS   3  -0.476   1.694   1.254
   25    HA   PRO   4           HA       PRO   4   0.531   6.751   1.678
   26    HB2  PRO   4           HB2      PRO   4   2.502   6.300   3.453
   27    HB3  PRO   4           HB3      PRO   4   0.854   6.683   3.962
   28    HG2  PRO   4           HG2      PRO   4   2.237   4.038   3.848
   29    HG3  PRO   4           HG3      PRO   4   1.138   4.675   5.081
   30    HD2  PRO   4           HD2      PRO   4   0.391   2.921   3.099
   31    HD3  PRO   4           HD3      PRO   4  -0.723   4.027   3.925
   32    H    PHE   5           HN       PHE   5   2.370   3.711   1.923
   33    HA   PHE   5           HA       PHE   5   3.748   4.322  -0.557
   34    HB2  PHE   5           HB2      PHE   5   5.912   3.538   0.912
   35    HB3  PHE   5           HB3      PHE   5   5.521   5.211   0.530
   36    HD1  PHE   5           HD2      PHE   5   5.299   2.601   3.128
   37    HD2  PHE   5           HD1      PHE   5   4.861   6.734   2.211
   38    HE1  PHE   5           HE2      PHE   5   5.140   3.115   5.529
   39    HE2  PHE   5           HE1      PHE   5   4.702   7.255   4.609
   40    HZ   PHE   5           HZ       PHE   5   4.837   5.445   6.270
   41    H    GLY   6           HN       GLY   6   3.588   2.130   2.233
   42    HA2  GLY   6           HA1      GLY   6   3.932  -0.137   0.377
   43    HA3  GLY   6           HA2      GLY   6   4.300  -0.181   2.097
   44    H    CYS   7           HN       CYS   7   2.919  -1.527   3.065
   45    HA   CYS   7           HA       CYS   7   0.190  -1.751   2.086
   46    HB2  CYS   7           HB2      CYS   7   1.700  -3.280   4.205
   47    HB3  CYS   7           HB3      CYS   7   0.015  -3.575   3.802
   48    H    ALA   8           HN       ALA   8   1.352  -1.803   5.426
   49    HA   ALA   8           HA       ALA   8   0.704  -0.678   7.297
   50    HB1  ALA   8           HB1      ALA   8  -0.590   1.324   5.449
   51    HB2  ALA   8           HB2      ALA   8  -0.132   1.565   7.135
   52    HB3  ALA   8           HB3      ALA   8   1.113   1.348   5.906
   53    H    LEU   9           HN       LEU   9  -0.648  -2.607   7.535
   54    HA   LEU   9           HA       LEU   9  -2.590  -3.558   8.240
   55    HB2  LEU   9           HB2      LEU   9  -2.969  -1.271   9.239
   56    HB3  LEU   9           HB3      LEU   9  -3.897  -0.875   7.807
   57    HG   LEU   9           HG       LEU   9  -5.496  -2.662   8.341
   58   HD11  LEU   9          HD11      LEU   9  -5.385  -3.781  10.517
   59   HD12  LEU   9          HD12      LEU   9  -4.003  -4.185   9.501
   60   HD13  LEU   9          HD13      LEU   9  -3.820  -3.028  10.819
   61   HD21  LEU   9          HD21      LEU   9  -5.912  -0.404   9.152
   62   HD22  LEU   9          HD22      LEU   9  -6.500  -1.603  10.304
   63   HD23  LEU   9          HD23      LEU   9  -4.989  -0.748  10.615
   64    H    VAL  10           HN       VAL  10  -1.781  -3.437   5.430
   65    HA   VAL  10           HA       VAL  10  -4.409  -3.626   4.121
   66    HB   VAL  10           HB       VAL  10  -1.700  -3.288   2.823
   67   HG11  VAL  10          HG11      VAL  10  -3.265  -4.503   1.405
   68   HG12  VAL  10          HG12      VAL  10  -4.473  -3.239   1.635
   69   HG13  VAL  10          HG13      VAL  10  -2.977  -2.882   0.773
   70   HG21  VAL  10          HG21      VAL  10  -3.921  -1.267   3.006
   71   HG22  VAL  10          HG22      VAL  10  -2.578  -1.335   4.150
   72   HG23  VAL  10          HG23      VAL  10  -2.266  -1.020   2.443
   73    H    ASP  11           HN       ASP  11  -1.282  -5.093   3.225
   74    HA   ASP  11           HA       ASP  11  -2.322  -7.742   3.789
   75    HB2  ASP  11           HB2      ASP  11  -3.150  -7.155   1.495
   76    HB3  ASP  11           HB3      ASP  11  -1.469  -7.025   0.980
   77    H    CYS  12           HN       CYS  12  -0.126  -6.206   4.803
   78    HA   CYS  12           HA       CYS  12   1.866  -8.123   4.917
   79    HB2  CYS  12           HB2      CYS  12   3.535  -7.549   3.402
   80    HB3  CYS  12           HB3      CYS  12   2.078  -7.336   2.444
   81    H    GLY  13           HN       GLY  13   0.910  -4.807   5.215
   82    HA2  GLY  13           HA1      GLY  13   1.302  -3.376   7.000
   83    HA3  GLY  13           HA2      GLY  13   2.425  -4.559   7.661
   84    HA   PRO  14           HA       PRO  14   4.784  -0.969   5.747
   85    HB2  PRO  14           HB2      PRO  14   6.186  -0.270   7.963
   86    HB3  PRO  14           HB3      PRO  14   4.594   0.399   7.584
   87    HG2  PRO  14           HG2      PRO  14   5.319  -1.813   9.469
   88    HG3  PRO  14           HG3      PRO  14   4.174  -0.478   9.698
   89    HD2  PRO  14           HD2      PRO  14   3.383  -2.983   9.031
   90    HD3  PRO  14           HD3      PRO  14   2.513  -1.531   8.496
   91    H    ASN  15           HN       ASN  15   5.415  -3.404   5.043
   92    HA   ASN  15           HA       ASN  15   8.255  -3.670   5.730
   93    HB2  ASN  15           HB2      ASN  15   6.341  -6.001   5.482
   94    HB3  ASN  15           HB3      ASN  15   8.068  -6.104   5.802
   95   HD21  ASN  15          HD21      ASN  15   8.163  -3.886   7.622
   96   HD22  ASN  15          HD22      ASN  15   7.391  -4.398   9.079
   97    H    ARG  16           HN       ARG  16   5.871  -5.289   3.613
   98    HA   ARG  16           HA       ARG  16   7.803  -5.243   1.438
   99    HB2  ARG  16           HB2      ARG  16   5.068  -6.504   1.689
  100    HB3  ARG  16           HB3      ARG  16   6.038  -6.569   0.226
  101    HG2  ARG  16           HG2      ARG  16   6.321  -8.618   1.409
  102    HG3  ARG  16           HG3      ARG  16   7.825  -7.703   1.526
  103    HD2  ARG  16           HD2      ARG  16   7.332  -7.044   3.767
  104    HD3  ARG  16           HD3      ARG  16   5.695  -7.690   3.657
  105    HE   ARG  16           HE       ARG  16   7.721  -9.671   3.225
  106   HH11  ARG  16          HH12      ARG  16   5.901  -7.955   5.660
  107   HH12  ARG  16          HH11      ARG  16   6.086  -9.197   6.852
  108   HH21  ARG  16          HH22      ARG  16   7.964 -11.306   4.791
  109   HH22  ARG  16          HH21      ARG  16   7.258 -11.100   6.359
  110    HA   PRO  17           HA       PRO  17   5.773  -1.426   0.090
  111    HB2  PRO  17           HB2      PRO  17   7.639  -0.757  -1.754
  112    HB3  PRO  17           HB3      PRO  17   7.868  -0.480  -0.023
  113    HG2  PRO  17           HG2      PRO  17   8.904  -2.707  -1.737
  114    HG3  PRO  17           HG3      PRO  17   9.749  -1.769  -0.492
  115    HD2  PRO  17           HD2      PRO  17   8.751  -4.242  -0.024
  116    HD3  PRO  17           HD3      PRO  17   8.830  -2.991   1.232
  117    H    CYS  18           HN       CYS  18   4.363  -1.062  -1.529
  118    HA   CYS  18           HA       CYS  18   4.372  -2.946  -3.795
  119    HB2  CYS  18           HB2      CYS  18   2.047  -1.476  -2.530
  120    HB3  CYS  18           HB3      CYS  18   1.933  -2.518  -3.943
  121    H    ARG  19           HN       ARG  19   3.252  -2.012  -5.783
  122    HA   ARG  19           HA       ARG  19   4.430   0.612  -6.293
  123    HB2  ARG  19           HB2      ARG  19   4.706  -1.530  -7.777
  124    HB3  ARG  19           HB3      ARG  19   3.131  -1.068  -8.406
  125    HG2  ARG  19           HG2      ARG  19   4.874  -0.206  -9.829
  126    HG3  ARG  19           HG3      ARG  19   4.041   1.129  -9.027
  127    HD2  ARG  19           HD2      ARG  19   5.840   1.316  -7.411
  128    HD3  ARG  19           HD3      ARG  19   6.651  -0.081  -8.116
  129    HE   ARG  19           HE       ARG  19   6.288   1.836 -10.122
  130   HH11  ARG  19          HH12      ARG  19   8.096   1.400  -7.169
  131   HH12  ARG  19          HH11      ARG  19   9.405   2.416  -7.673
  132   HH21  ARG  19          HH22      ARG  19   8.011   3.172 -10.788
  133   HH22  ARG  19          HH21      ARG  19   9.356   3.422  -9.727
  134    H    ASP  20           HN       ASP  20   3.247   2.399  -6.460
  135    HA   ASP  20           HA       ASP  20   0.354   2.182  -6.260
  136    HB2  ASP  20           HB2      ASP  20   2.168   4.599  -6.133
  137    HB3  ASP  20           HB3      ASP  20   0.430   4.619  -5.849
  138    H    THR  21           HN       THR  21  -1.084   2.792  -7.782
  139    HA   THR  21           HA       THR  21   0.011   3.578 -10.399
  140    HB   THR  21           HB       THR  21  -2.636   2.236  -9.809
  141    HG1  THR  21           HG1      THR  21  -1.650   0.363 -10.390
  142   HG21  THR  21          HG21      THR  21  -2.731   1.880 -12.234
  143   HG22  THR  21          HG22      THR  21  -1.227   2.780 -12.426
  144   HG23  THR  21          HG23      THR  21  -2.676   3.599 -11.843
  145    H    GLY  22           HN       GLY  22  -2.193   4.453  -7.860
  146    HA2  GLY  22           HA1      GLY  22  -2.795   6.936  -9.323
  147    HA3  GLY  22           HA2      GLY  22  -4.102   6.025  -8.583
  148    H    PHE  23           HN       PHE  23  -4.765   7.419  -7.036
  149    HA   PHE  23           HA       PHE  23  -2.797   8.685  -5.286
  150    HB2  PHE  23           HB2      PHE  23  -5.095   9.537  -4.242
  151    HB3  PHE  23           HB3      PHE  23  -4.419  10.257  -5.702
  152    HD1  PHE  23           HD2      PHE  23  -6.962   7.947  -4.397
  153    HD2  PHE  23           HD1      PHE  23  -5.465   9.998  -7.810
  154    HE1  PHE  23           HE2      PHE  23  -8.988   7.334  -5.650
  155    HE2  PHE  23           HE1      PHE  23  -7.484   9.384  -9.070
  156    HZ   PHE  23           HZ       PHE  23  -9.235   8.046  -7.990
  157    H    SME  24           HN       SME  24  -1.984   7.305  -3.816
  158    HA   SME  24           HA       SME  24  -1.855   5.888  -2.043
  159    HB2  SME  24           HB2      SME  24  -4.707   6.733  -1.503
  160    HB3  SME  24           HB1      SME  24  -3.575   6.050  -0.344
  161    HG2  SME  24           HG2      SME  24  -2.136   8.041  -0.646
  162    HG3  SME  24           HG1      SME  24  -3.374   8.729  -1.695
  163    HE1  SME  24           HE1      SME  24  -2.445   7.751   2.037
  164    HE2  SME  24           HE2      SME  24  -3.778   6.653   1.684
  165    HE3  SME  24           HE3      SME  24  -4.001   7.970   2.836
  166    H    SER  25           HN       SER  25  -1.757   4.133  -3.586
  167    HA   SER  25           HA       SER  25  -3.861   2.194  -3.130
  168    HB2  SER  25           HB2      SER  25  -3.059   3.017  -5.934
  169    HB3  SER  25           HB3      SER  25  -4.105   1.656  -5.532
  170    HG   SER  25           HG       SER  25  -5.459   3.292  -4.457
  171    H    CYS  26           HN       CYS  26  -2.438   0.891  -2.066
  172    HA   CYS  26           HA       CYS  26   0.085   0.197  -3.345
  173    HB2  CYS  26           HB2      CYS  26   0.671  -0.870  -1.243
  174    HB3  CYS  26           HB3      CYS  26   0.088   0.761  -0.945
  175    H    ASP  27           HN       ASP  27   0.194  -1.466  -4.660
  176    HA   ASP  27           HA       ASP  27  -1.322  -3.892  -4.035
  177    HB2  ASP  27           HB2      ASP  27  -1.272  -2.578  -6.761
  178    HB3  ASP  27           HB3      ASP  27  -1.984  -4.148  -6.399
  179    H    CYS  28           HN       CYS  28   0.271  -5.302  -3.669
  180    HA   CYS  28           HA       CYS  28   2.711  -5.216  -5.253
  181    HB2  CYS  28           HB2      CYS  28   1.863  -6.738  -2.800
  182    HB3  CYS  28           HB3      CYS  28   3.313  -7.186  -3.690
  Start of MODEL   16
    1    H1   PHE   1           H1       PHE   1  -9.099   0.710  -1.646
    2    H2   PHE   1           H2       PHE   1  -9.402  -0.825  -1.004
    3    H3   PHE   1           H3       PHE   1  -8.010  -0.554  -1.923
    4    HA   PHE   1           HA       PHE   1  -8.617   0.664   0.705
    5    HB2  PHE   1           HB2      PHE   1  -6.771  -0.726   1.538
    6    HB3  PHE   1           HB3      PHE   1  -8.061  -1.719   0.868
    7    HD1  PHE   1           HD2      PHE   1  -4.658  -0.450   0.322
    8    HD2  PHE   1           HD1      PHE   1  -7.703  -3.086  -1.052
    9    HE1  PHE   1           HE2      PHE   1  -3.027  -1.563  -1.142
   10    HE2  PHE   1           HE1      PHE   1  -6.076  -4.206  -2.520
   11    HZ   PHE   1           HZ       PHE   1  -3.734  -3.444  -2.567
   12    H    PHE   2           HN       PHE   2  -7.406   2.367   1.268
   13    HA   PHE   2           HA       PHE   2  -5.566   3.439  -0.715
   14    HB2  PHE   2           HB2      PHE   2  -6.542   4.668   1.871
   15    HB3  PHE   2           HB3      PHE   2  -5.669   5.497   0.589
   16    HD1  PHE   2           HD1      PHE   2  -6.805   5.432  -1.765
   17    HD2  PHE   2           HD2      PHE   2  -8.841   4.762   1.911
   18    HE1  PHE   2           HE1      PHE   2  -8.937   6.006  -2.847
   19    HE2  PHE   2           HE2      PHE   2 -10.979   5.333   0.835
   20    HZ   PHE   2           HZ       PHE   2 -11.029   5.956  -1.548
   21    H    CYS   3           HN       CYS   3  -3.409   3.962  -0.315
   22    HA   CYS   3           HA       CYS   3  -2.256   2.754   2.109
   23    HB2  CYS   3           HB2      CYS   3  -1.062   2.841  -0.666
   24    HB3  CYS   3           HB3      CYS   3  -0.248   2.218   0.768
   25    HA   PRO   4           HA       PRO   4  -0.698   6.936   2.536
   26    HB2  PRO   4           HB2      PRO   4   0.014   6.783   5.113
   27    HB3  PRO   4           HB3      PRO   4  -1.685   6.825   4.626
   28    HG2  PRO   4           HG2      PRO   4  -0.032   4.524   5.535
   29    HG3  PRO   4           HG3      PRO   4  -1.748   4.856   5.814
   30    HD2  PRO   4           HD2      PRO   4  -0.688   3.120   3.883
   31    HD3  PRO   4           HD3      PRO   4  -2.354   3.728   3.939
   32    H    PHE   5           HN       PHE   5   1.141   4.224   3.948
   33    HA   PHE   5           HA       PHE   5   3.614   5.519   3.004
   34    HB2  PHE   5           HB2      PHE   5   3.527   3.514   5.245
   35    HB3  PHE   5           HB3      PHE   5   4.772   4.705   4.879
   36    HD1  PHE   5           HD2      PHE   5   4.255   7.145   5.252
   37    HD2  PHE   5           HD1      PHE   5   1.769   4.010   6.702
   38    HE1  PHE   5           HE2      PHE   5   3.210   8.710   6.837
   39    HE2  PHE   5           HE1      PHE   5   0.718   5.570   8.287
   40    HZ   PHE   5           HZ       PHE   5   1.436   7.923   8.353
   41    H    GLY   6           HN       GLY   6   1.656   2.668   2.985
   42    HA2  GLY   6           HA1      GLY   6   2.598   1.508   0.738
   43    HA3  GLY   6           HA2      GLY   6   3.730   0.943   1.956
   44    H    CYS   7           HN       CYS   7   3.264  -1.083   2.442
   45    HA   CYS   7           HA       CYS   7   0.514  -2.030   2.391
   46    HB2  CYS   7           HB2      CYS   7   2.241  -3.382   1.318
   47    HB3  CYS   7           HB3      CYS   7   3.135  -3.481   2.826
   48    H    ALA   8           HN       ALA   8   1.690  -0.206   4.543
   49    HA   ALA   8           HA       ALA   8   2.068  -1.466   6.955
   50    HB1  ALA   8           HB1      ALA   8   0.669   1.142   6.403
   51    HB2  ALA   8           HB2      ALA   8   1.181   0.603   8.003
   52    HB3  ALA   8           HB3      ALA   8   2.382   0.900   6.746
   53    H    LEU   9           HN       LEU   9  -1.028   0.179   6.490
   54    HA   LEU   9           HA       LEU   9  -2.327  -2.010   7.931
   55    HB2  LEU   9           HB2      LEU   9  -2.619   0.374   8.658
   56    HB3  LEU   9           HB3      LEU   9  -3.460   0.678   7.151
   57    HG   LEU   9           HG       LEU   9  -5.202  -0.935   7.793
   58   HD11  LEU   9          HD11      LEU   9  -3.663  -1.134  10.377
   59   HD12  LEU   9          HD12      LEU   9  -5.256  -1.823  10.071
   60   HD13  LEU   9          HD13      LEU   9  -3.855  -2.412   9.178
   61   HD21  LEU   9          HD21      LEU   9  -5.494   1.418   8.339
   62   HD22  LEU   9          HD22      LEU   9  -6.206   0.394   9.586
   63   HD23  LEU   9          HD23      LEU   9  -4.653   1.179   9.871
   64    H    VAL  10           HN       VAL  10  -1.567  -2.671   5.373
   65    HA   VAL  10           HA       VAL  10  -4.068  -2.552   3.838
   66    HB   VAL  10           HB       VAL  10  -1.286  -3.146   2.825
   67   HG11  VAL  10          HG11      VAL  10  -3.906  -2.788   1.376
   68   HG12  VAL  10          HG12      VAL  10  -2.327  -2.875   0.596
   69   HG13  VAL  10          HG13      VAL  10  -2.950  -4.267   1.482
   70   HG21  VAL  10          HG21      VAL  10  -1.781  -0.792   3.630
   71   HG22  VAL  10          HG22      VAL  10  -1.221  -0.958   1.967
   72   HG23  VAL  10          HG23      VAL  10  -2.931  -0.691   2.297
   73    H    ASP  11           HN       ASP  11  -1.409  -4.900   3.490
   74    HA   ASP  11           HA       ASP  11  -3.087  -7.005   4.563
   75    HB2  ASP  11           HB2      ASP  11  -3.808  -6.733   2.191
   76    HB3  ASP  11           HB3      ASP  11  -2.163  -7.115   1.687
   77    H    CYS  12           HN       CYS  12  -0.543  -5.995   5.398
   78    HA   CYS  12           HA       CYS  12   0.830  -8.381   5.824
   79    HB2  CYS  12           HB2      CYS  12   2.643  -8.402   4.334
   80    HB3  CYS  12           HB3      CYS  12   1.258  -8.044   3.315
   81    H    GLY  13           HN       GLY  13   1.239  -4.902   5.392
   82    HA2  GLY  13           HA1      GLY  13   1.783  -3.726   7.541
   83    HA3  GLY  13           HA2      GLY  13   3.086  -4.898   7.697
   84    HA   PRO  14           HA       PRO  14   4.549  -1.190   5.214
   85    HB2  PRO  14           HB2      PRO  14   6.060   0.096   7.009
   86    HB3  PRO  14           HB3      PRO  14   4.308   0.332   6.944
   87    HG2  PRO  14           HG2      PRO  14   5.925  -1.360   8.810
   88    HG3  PRO  14           HG3      PRO  14   4.540  -0.313   9.166
   89    HD2  PRO  14           HD2      PRO  14   4.382  -3.044   8.848
   90    HD3  PRO  14           HD3      PRO  14   3.026  -1.929   8.591
   91    H    ASN  15           HN       ASN  15   5.521  -3.450   4.572
   92    HA   ASN  15           HA       ASN  15   8.413  -3.158   4.786
   93    HB2  ASN  15           HB2      ASN  15   8.610  -5.670   5.164
   94    HB3  ASN  15           HB3      ASN  15   8.094  -4.704   6.543
   95   HD21  ASN  15          HD21      ASN  15   7.140  -6.502   7.505
   96   HD22  ASN  15          HD22      ASN  15   5.643  -7.153   6.939
   97    H    ARG  16           HN       ARG  16   5.631  -4.615   3.190
   98    HA   ARG  16           HA       ARG  16   7.277  -5.588   1.001
   99    HB2  ARG  16           HB2      ARG  16   4.282  -5.662   1.407
  100    HB3  ARG  16           HB3      ARG  16   5.133  -6.408   0.064
  101    HG2  ARG  16           HG2      ARG  16   5.709  -7.122   2.921
  102    HG3  ARG  16           HG3      ARG  16   4.455  -7.922   1.973
  103    HD2  ARG  16           HD2      ARG  16   6.402  -9.269   1.812
  104    HD3  ARG  16           HD3      ARG  16   6.223  -8.442   0.265
  105    HE   ARG  16           HE       ARG  16   7.939  -7.073   2.124
  106   HH11  ARG  16          HH12      ARG  16   7.779  -9.523  -0.358
  107   HH12  ARG  16          HH11      ARG  16   9.458  -9.402  -0.761
  108   HH21  ARG  16          HH22      ARG  16  10.148  -6.913   1.595
  109   HH22  ARG  16          HH21      ARG  16  10.804  -7.921   0.348
  110    HA   PRO  17           HA       PRO  17   6.589  -1.705  -1.143
  111    HB2  PRO  17           HB2      PRO  17   8.363  -2.078  -3.111
  112    HB3  PRO  17           HB3      PRO  17   8.887  -1.757  -1.452
  113    HG2  PRO  17           HG2      PRO  17   8.743  -4.358  -2.924
  114    HG3  PRO  17           HG3      PRO  17  10.013  -3.752  -1.844
  115    HD2  PRO  17           HD2      PRO  17   8.043  -5.520  -1.086
  116    HD3  PRO  17           HD3      PRO  17   8.907  -4.448   0.032
  117    H    CYS  18           HN       CYS  18   4.879  -1.358  -2.412
  118    HA   CYS  18           HA       CYS  18   4.270  -3.317  -4.529
  119    HB2  CYS  18           HB2      CYS  18   2.382  -1.445  -3.088
  120    HB3  CYS  18           HB3      CYS  18   1.929  -2.578  -4.354
  121    H    ARG  19           HN       ARG  19   2.857  -2.244  -6.305
  122    HA   ARG  19           HA       ARG  19   4.360   0.083  -7.253
  123    HB2  ARG  19           HB2      ARG  19   2.505  -1.775  -8.754
  124    HB3  ARG  19           HB3      ARG  19   3.458  -0.482  -9.468
  125    HG2  ARG  19           HG2      ARG  19   4.539  -2.941  -8.105
  126    HG3  ARG  19           HG3      ARG  19   4.505  -2.635  -9.843
  127    HD2  ARG  19           HD2      ARG  19   6.015  -1.035  -7.779
  128    HD3  ARG  19           HD3      ARG  19   6.715  -2.183  -8.920
  129    HE   ARG  19           HE       ARG  19   5.350  -0.325 -10.437
  130   HH11  ARG  19          HH12      ARG  19   8.007  -0.302  -8.174
  131   HH12  ARG  19          HH11      ARG  19   8.787   1.056  -8.912
  132   HH21  ARG  19          HH22      ARG  19   6.373   1.461 -11.408
  133   HH22  ARG  19          HH21      ARG  19   7.859   2.059 -10.747
  134    H    ASP  20           HN       ASP  20   3.481   2.045  -7.340
  135    HA   ASP  20           HA       ASP  20   0.684   2.363  -6.604
  136    HB2  ASP  20           HB2      ASP  20   1.242   4.759  -6.406
  137    HB3  ASP  20           HB3      ASP  20   2.335   3.752  -5.460
  138    H    THR  21           HN       THR  21  -0.884   2.718  -8.022
  139    HA   THR  21           HA       THR  21  -0.154   3.394 -10.785
  140    HB   THR  21           HB       THR  21  -2.773   2.297  -9.738
  141    HG1  THR  21           HG1      THR  21  -0.628   0.998 -11.102
  142   HG21  THR  21          HG21      THR  21  -3.024   3.568 -11.812
  143   HG22  THR  21          HG22      THR  21  -3.256   1.844 -12.101
  144   HG23  THR  21          HG23      THR  21  -1.739   2.619 -12.560
  145    H    GLY  22           HN       GLY  22  -2.011   4.481  -8.031
  146    HA2  GLY  22           HA1      GLY  22  -2.410   7.050  -9.376
  147    HA3  GLY  22           HA2      GLY  22  -3.836   6.222  -8.773
  148    H    PHE  23           HN       PHE  23  -4.431   7.630  -7.191
  149    HA   PHE  23           HA       PHE  23  -2.448   8.506  -5.231
  150    HB2  PHE  23           HB2      PHE  23  -4.684   9.590  -4.274
  151    HB3  PHE  23           HB3      PHE  23  -3.820  10.307  -5.634
  152    HD1  PHE  23           HD1      PHE  23  -6.730   8.284  -4.656
  153    HD2  PHE  23           HD2      PHE  23  -4.736  10.322  -7.815
  154    HE1  PHE  23           HE1      PHE  23  -8.719   8.023  -6.078
  155    HE2  PHE  23           HE2      PHE  23  -6.724  10.070  -9.238
  156    HZ   PHE  23           HZ       PHE  23  -8.705   8.911  -8.370
  157    H    SME  24           HN       SME  24  -1.962   7.152  -3.641
  158    HA   SME  24           HA       SME  24  -2.160   5.714  -1.889
  159    HB2  SME  24           HB2      SME  24  -5.106   6.363  -1.878
  160    HB3  SME  24           HB1      SME  24  -4.117   5.819  -0.530
  161    HG2  SME  24           HG2      SME  24  -3.862   8.471  -1.925
  162    HG3  SME  24           HG1      SME  24  -4.671   8.196  -0.385
  163    HE1  SME  24           HE1      SME  24  -3.023  10.216   0.604
  164    HE2  SME  24           HE2      SME  24  -2.200  10.331  -0.951
  165    HE3  SME  24           HE3      SME  24  -1.264  10.110   0.527
  166    H    SER  25           HN       SER  25  -1.772   4.164  -3.745
  167    HA   SER  25           HA       SER  25  -3.728   2.037  -3.582
  168    HB2  SER  25           HB2      SER  25  -4.506   3.270  -5.550
  169    HB3  SER  25           HB3      SER  25  -2.887   3.207  -6.248
  170    HG   SER  25           HG       SER  25  -3.107   0.898  -6.239
  171    H    CYS  26           HN       CYS  26  -2.182   0.834  -2.519
  172    HA   CYS  26           HA       CYS  26   0.256   0.231  -4.042
  173    HB2  CYS  26           HB2      CYS  26   1.406  -0.206  -2.017
  174    HB3  CYS  26           HB3      CYS  26   0.528   1.293  -1.764
  175    H    ASP  27           HN       ASP  27  -0.179  -1.494  -5.229
  176    HA   ASP  27           HA       ASP  27  -1.265  -3.866  -3.846
  177    HB2  ASP  27           HB2      ASP  27  -1.665  -3.078  -6.741
  178    HB3  ASP  27           HB3      ASP  27  -2.251  -4.564  -5.998
  179    H    CYS  28           HN       CYS  28   0.246  -5.359  -3.593
  180    HA   CYS  28           HA       CYS  28   2.556  -5.428  -5.359
  181    HB2  CYS  28           HB2      CYS  28   1.880  -6.767  -2.751
  182    HB3  CYS  28           HB3      CYS  28   3.256  -7.291  -3.714
  Start of MODEL   17
    1    H1   PHE   1           H1       PHE   1  -9.249   1.727  -1.371
    2    H2   PHE   1           H2       PHE   1  -9.682   0.259  -0.651
    3    H3   PHE   1           H3       PHE   1  -8.266   0.364  -1.570
    4    HA   PHE   1           HA       PHE   1  -8.780   1.788   0.974
    5    HB2  PHE   1           HB2      PHE   1  -7.006   0.278   1.867
    6    HB3  PHE   1           HB3      PHE   1  -8.475  -0.569   1.396
    7    HD1  PHE   1           HD1      PHE   1  -8.503  -2.035  -0.533
    8    HD2  PHE   1           HD2      PHE   1  -4.948  -0.014   0.646
    9    HE1  PHE   1           HE1      PHE   1  -7.181  -3.530  -1.971
   10    HE2  PHE   1           HE2      PHE   1  -3.621  -1.505  -0.790
   11    HZ   PHE   1           HZ       PHE   1  -4.736  -3.266  -2.102
   12    H    PHE   2           HN       PHE   2  -7.417   3.397   1.443
   13    HA   PHE   2           HA       PHE   2  -5.472   4.173  -0.567
   14    HB2  PHE   2           HB2      PHE   2  -5.295   6.255   0.786
   15    HB3  PHE   2           HB3      PHE   2  -6.943   5.898   0.282
   16    HD1  PHE   2           HD2      PHE   2  -4.620   6.003   3.115
   17    HD2  PHE   2           HD1      PHE   2  -8.638   5.342   1.881
   18    HE1  PHE   2           HE2      PHE   2  -5.358   6.145   5.457
   19    HE2  PHE   2           HE1      PHE   2  -9.384   5.483   4.221
   20    HZ   PHE   2           HZ       PHE   2  -7.743   5.884   6.014
   21    H    CYS   3           HN       CYS   3  -3.300   4.112  -0.348
   22    HA   CYS   3           HA       CYS   3  -2.249   2.840   2.070
   23    HB2  CYS   3           HB2      CYS   3  -0.289   2.290   0.758
   24    HB3  CYS   3           HB3      CYS   3  -1.733   1.810  -0.126
   25    HA   PRO   4           HA       PRO   4  -0.477   6.806   3.130
   26    HB2  PRO   4           HB2      PRO   4   0.446   6.170   5.552
   27    HB3  PRO   4           HB3      PRO   4  -1.291   6.275   5.237
   28    HG2  PRO   4           HG2      PRO   4   0.448   3.864   5.482
   29    HG3  PRO   4           HG3      PRO   4  -1.210   4.112   6.049
   30    HD2  PRO   4           HD2      PRO   4  -0.482   2.788   3.708
   31    HD3  PRO   4           HD3      PRO   4  -2.093   3.440   4.063
   32    H    PHE   5           HN       PHE   5   1.251   3.794   2.938
   33    HA   PHE   5           HA       PHE   5   3.696   5.247   2.282
   34    HB2  PHE   5           HB2      PHE   5   3.817   2.910   4.182
   35    HB3  PHE   5           HB3      PHE   5   5.086   4.067   3.793
   36    HD1  PHE   5           HD1      PHE   5   4.720   6.496   4.517
   37    HD2  PHE   5           HD2      PHE   5   2.459   3.224   6.031
   38    HE1  PHE   5           HE1      PHE   5   4.074   7.849   6.469
   39    HE2  PHE   5           HE2      PHE   5   1.810   4.571   7.984
   40    HZ   PHE   5           HZ       PHE   5   2.616   6.885   8.203
   41    H    GLY   6           HN       GLY   6   2.168   2.055   2.610
   42    HA2  GLY   6           HA1      GLY   6   2.493   1.335  -0.076
   43    HA3  GLY   6           HA2      GLY   6   3.860   0.690   0.820
   44    H    CYS   7           HN       CYS   7   3.614  -1.153   1.955
   45    HA   CYS   7           HA       CYS   7   1.043  -2.501   1.752
   46    HB2  CYS   7           HB2      CYS   7   3.136  -3.672   1.113
   47    HB3  CYS   7           HB3      CYS   7   3.694  -3.541   2.775
   48    H    ALA   8           HN       ALA   8   1.908  -0.281   3.776
   49    HA   ALA   8           HA       ALA   8   2.006  -1.242   6.356
   50    HB1  ALA   8           HB1      ALA   8   2.288   1.116   5.765
   51    HB2  ALA   8           HB2      ALA   8   0.565   1.231   5.413
   52    HB3  ALA   8           HB3      ALA   8   1.109   0.908   7.059
   53    H    LEU   9           HN       LEU   9  -0.933  -0.317   4.564
   54    HA   LEU   9           HA       LEU   9  -2.462  -2.071   6.375
   55    HB2  LEU   9           HB2      LEU   9  -3.401   0.435   4.976
   56    HB3  LEU   9           HB3      LEU   9  -4.398  -0.604   5.976
   57    HG   LEU   9           HG       LEU   9  -2.031   1.016   6.920
   58   HD11  LEU   9          HD11      LEU   9  -4.987   1.350   7.407
   59   HD12  LEU   9          HD12      LEU   9  -3.704   2.311   8.142
   60   HD13  LEU   9          HD13      LEU   9  -3.975   2.388   6.402
   61   HD21  LEU   9          HD21      LEU   9  -2.239  -1.075   8.155
   62   HD22  LEU   9          HD22      LEU   9  -2.697   0.300   9.161
   63   HD23  LEU   9          HD23      LEU   9  -3.942  -0.734   8.462
   64    H    VAL  10           HN       VAL  10  -1.160  -2.903   3.960
   65    HA   VAL  10           HA       VAL  10  -3.394  -3.261   2.101
   66    HB   VAL  10           HB       VAL  10  -0.455  -3.848   1.708
   67   HG11  VAL  10          HG11      VAL  10  -2.746  -4.002  -0.249
   68   HG12  VAL  10          HG12      VAL  10  -1.039  -4.199  -0.646
   69   HG13  VAL  10          HG13      VAL  10  -1.842  -5.369   0.402
   70   HG21  VAL  10          HG21      VAL  10  -0.960  -1.464   1.835
   71   HG22  VAL  10          HG22      VAL  10  -0.500  -1.931   0.199
   72   HG23  VAL  10          HG23      VAL  10  -2.197  -1.655   0.594
   73    H    ASP  11           HN       ASP  11  -0.693  -5.521   2.551
   74    HA   ASP  11           HA       ASP  11  -2.448  -7.476   3.777
   75    HB2  ASP  11           HB2      ASP  11  -2.872  -7.691   1.338
   76    HB3  ASP  11           HB3      ASP  11  -1.161  -8.034   1.097
   77    H    CYS  12           HN       CYS  12  -0.130  -6.227   4.788
   78    HA   CYS  12           HA       CYS  12   1.308  -8.457   5.696
   79    HB2  CYS  12           HB2      CYS  12   3.347  -8.404   4.547
   80    HB3  CYS  12           HB3      CYS  12   2.149  -8.225   3.273
   81    H    GLY  13           HN       GLY  13   1.390  -4.994   5.066
   82    HA2  GLY  13           HA1      GLY  13   1.410  -3.553   7.057
   83    HA3  GLY  13           HA2      GLY  13   2.634  -4.627   7.719
   84    HA   PRO  14           HA       PRO  14   4.714  -1.062   5.512
   85    HB2  PRO  14           HB2      PRO  14   6.067  -0.045   7.608
   86    HB3  PRO  14           HB3      PRO  14   4.393   0.405   7.264
   87    HG2  PRO  14           HG2      PRO  14   5.453  -1.571   9.251
   88    HG3  PRO  14           HG3      PRO  14   4.177  -0.357   9.455
   89    HD2  PRO  14           HD2      PRO  14   3.665  -2.987   8.973
   90    HD3  PRO  14           HD3      PRO  14   2.587  -1.679   8.449
   91    H    ASN  15           HN       ASN  15   5.584  -3.391   4.887
   92    HA   ASN  15           HA       ASN  15   8.426  -3.379   5.595
   93    HB2  ASN  15           HB2      ASN  15   6.691  -5.857   5.578
   94    HB3  ASN  15           HB3      ASN  15   8.441  -5.842   5.770
   95   HD21  ASN  15          HD21      ASN  15   5.385  -5.133   7.251
   96   HD22  ASN  15          HD22      ASN  15   5.979  -4.940   8.862
   97    H    ARG  16           HN       ARG  16   6.021  -5.023   3.529
   98    HA   ARG  16           HA       ARG  16   7.991  -5.244   1.401
   99    HB2  ARG  16           HB2      ARG  16   5.115  -6.172   1.508
  100    HB3  ARG  16           HB3      ARG  16   6.259  -6.539   0.225
  101    HG2  ARG  16           HG2      ARG  16   7.657  -7.758   1.815
  102    HG3  ARG  16           HG3      ARG  16   6.507  -7.392   3.102
  103    HD2  ARG  16           HD2      ARG  16   4.767  -8.614   1.894
  104    HD3  ARG  16           HD3      ARG  16   5.911  -8.972   0.603
  105    HE   ARG  16           HE       ARG  16   7.000  -9.897   3.000
  106   HH11  ARG  16          HH12      ARG  16   4.294 -10.582   0.905
  107   HH12  ARG  16          HH11      ARG  16   4.223 -12.259   1.336
  108   HH21  ARG  16          HH22      ARG  16   6.909 -12.102   3.568
  109   HH22  ARG  16          HH21      ARG  16   5.708 -13.121   2.848
  110    HA   PRO  17           HA       PRO  17   6.394  -1.529  -0.499
  111    HB2  PRO  17           HB2      PRO  17   8.072  -1.414  -2.579
  112    HB3  PRO  17           HB3      PRO  17   8.633  -1.117  -0.930
  113    HG2  PRO  17           HG2      PRO  17   8.895  -3.581  -2.605
  114    HG3  PRO  17           HG3      PRO  17  10.086  -2.824  -1.531
  115    HD2  PRO  17           HD2      PRO  17   8.523  -4.992  -0.851
  116    HD3  PRO  17           HD3      PRO  17   9.253  -3.874   0.317
  117    H    CYS  18           HN       CYS  18   4.629  -1.334  -1.725
  118    HA   CYS  18           HA       CYS  18   4.114  -3.356  -3.793
  119    HB2  CYS  18           HB2      CYS  18   2.192  -1.452  -2.438
  120    HB3  CYS  18           HB3      CYS  18   1.756  -2.678  -3.623
  121    H    ARG  19           HN       ARG  19   2.696  -2.448  -5.643
  122    HA   ARG  19           HA       ARG  19   4.105  -0.107  -6.699
  123    HB2  ARG  19           HB2      ARG  19   2.410  -2.175  -8.111
  124    HB3  ARG  19           HB3      ARG  19   3.253  -0.847  -8.897
  125    HG2  ARG  19           HG2      ARG  19   4.530  -3.121  -7.389
  126    HG3  ARG  19           HG3      ARG  19   4.488  -2.916  -9.142
  127    HD2  ARG  19           HD2      ARG  19   5.829  -1.073  -7.166
  128    HD3  ARG  19           HD3      ARG  19   6.640  -2.223  -8.229
  129    HE   ARG  19           HE       ARG  19   5.175  -0.620  -9.898
  130   HH11  ARG  19          HH12      ARG  19   7.660  -0.102  -7.504
  131   HH12  ARG  19          HH11      ARG  19   8.301   1.302  -8.291
  132   HH21  ARG  19          HH22      ARG  19   6.016   1.226 -10.934
  133   HH22  ARG  19          HH21      ARG  19   7.367   2.056 -10.238
  134    H    ASP  20           HN       ASP  20   3.130   1.789  -6.987
  135    HA   ASP  20           HA       ASP  20   0.260   1.970  -6.430
  136    HB2  ASP  20           HB2      ASP  20   1.744   3.396  -5.092
  137    HB3  ASP  20           HB3      ASP  20   2.374   4.133  -6.563
  138    H    THR  21           HN       THR  21  -1.193   2.883  -7.843
  139    HA   THR  21           HA       THR  21  -0.187   3.370 -10.572
  140    HB   THR  21           HB       THR  21  -1.577   1.376 -10.495
  141    HG1  THR  21           HG1      THR  21  -1.947   2.347 -12.394
  142   HG21  THR  21          HG21      THR  21  -3.729   3.187  -9.390
  143   HG22  THR  21          HG22      THR  21  -2.895   1.910  -8.504
  144   HG23  THR  21          HG23      THR  21  -3.943   1.501  -9.861
  145    H    GLY  22           HN       GLY  22  -2.406   4.446  -8.058
  146    HA2  GLY  22           HA1      GLY  22  -2.606   7.024  -9.470
  147    HA3  GLY  22           HA2      GLY  22  -4.056   6.251  -8.846
  148    H    PHE  23           HN       PHE  23  -4.691   7.587  -7.259
  149    HA   PHE  23           HA       PHE  23  -2.724   8.658  -5.381
  150    HB2  PHE  23           HB2      PHE  23  -5.003   9.631  -4.407
  151    HB3  PHE  23           HB3      PHE  23  -4.220  10.350  -5.812
  152    HD1  PHE  23           HD1      PHE  23  -6.964   8.177  -4.691
  153    HD2  PHE  23           HD2      PHE  23  -5.188  10.227  -7.968
  154    HE1  PHE  23           HE1      PHE  23  -8.966   7.735  -6.050
  155    HE2  PHE  23           HE2      PHE  23  -7.187   9.796  -9.329
  156    HZ   PHE  23           HZ       PHE  23  -9.066   8.540  -8.370
  157    H    SME  24           HN       SME  24  -2.076   7.214  -3.901
  158    HA   SME  24           HA       SME  24  -2.124   5.759  -2.156
  159    HB2  SME  24           HB2      SME  24  -4.829   7.046  -1.894
  160    HB3  SME  24           HB1      SME  24  -4.312   5.777  -0.794
  161    HG2  SME  24           HG2      SME  24  -3.922   7.951   0.174
  162    HG3  SME  24           HG1      SME  24  -2.392   7.130  -0.128
  163    HE1  SME  24           HE1      SME  24  -2.938  10.401   0.375
  164    HE2  SME  24           HE2      SME  24  -1.762  11.073  -0.755
  165    HE3  SME  24           HE3      SME  24  -1.316   9.716   0.278
  166    H    SER  25           HN       SER  25  -1.978   4.082  -3.811
  167    HA   SER  25           HA       SER  25  -4.129   2.164  -3.515
  168    HB2  SER  25           HB2      SER  25  -3.224   3.092  -6.255
  169    HB3  SER  25           HB3      SER  25  -4.307   1.736  -5.944
  170    HG   SER  25           HG       SER  25  -5.769   3.251  -6.141
  171    H    CYS  26           HN       CYS  26  -2.025   1.668  -2.243
  172    HA   CYS  26           HA       CYS  26   0.019   0.383  -3.867
  173    HB2  CYS  26           HB2      CYS  26  -0.165   0.688  -0.866
  174    HB3  CYS  26           HB3      CYS  26   1.241   0.136  -1.769
  175    H    ASP  27           HN       ASP  27  -0.295  -1.643  -4.498
  176    HA   ASP  27           HA       ASP  27  -1.331  -3.578  -2.558
  177    HB2  ASP  27           HB2      ASP  27  -2.765  -4.610  -4.279
  178    HB3  ASP  27           HB3      ASP  27  -3.251  -2.953  -3.931
  179    H    CYS  28           HN       CYS  28   0.013  -5.236  -2.399
  180    HA   CYS  28           HA       CYS  28   2.023  -5.662  -4.458
  181    HB2  CYS  28           HB2      CYS  28   1.661  -6.736  -1.664
  182    HB3  CYS  28           HB3      CYS  28   2.887  -7.368  -2.758
  Start of MODEL   18
    1    H1   PHE   1           H1       PHE   1  -8.343  -0.901  -0.589
    2    H2   PHE   1           H2       PHE   1  -9.324   0.263   0.147
    3    H3   PHE   1           H3       PHE   1  -9.313  -1.324   0.733
    4    HA   PHE   1           HA       PHE   1  -8.051   0.133   2.170
    5    HB2  PHE   1           HB2      PHE   1  -5.890  -1.158   2.092
    6    HB3  PHE   1           HB3      PHE   1  -7.343  -2.151   2.132
    7    HD1  PHE   1           HD1      PHE   1  -4.726  -0.804  -0.113
    8    HD2  PHE   1           HD2      PHE   1  -7.787  -3.707   0.440
    9    HE1  PHE   1           HE1      PHE   1  -3.973  -1.978  -2.139
   10    HE2  PHE   1           HE2      PHE   1  -7.040  -4.888  -1.584
   11    HZ   PHE   1           HZ       PHE   1  -5.130  -4.024  -2.877
   12    H    PHE   2           HN       PHE   2  -6.849   1.906   2.375
   13    HA   PHE   2           HA       PHE   2  -5.773   3.135  -0.034
   14    HB2  PHE   2           HB2      PHE   2  -6.078   4.196   2.782
   15    HB3  PHE   2           HB3      PHE   2  -5.479   5.132   1.418
   16    HD1  PHE   2           HD2      PHE   2  -6.982   5.801  -0.384
   17    HD2  PHE   2           HD1      PHE   2  -8.406   3.691   3.026
   18    HE1  PHE   2           HE2      PHE   2  -9.289   6.430  -0.963
   19    HE2  PHE   2           HE1      PHE   2 -10.715   4.315   2.453
   20    HZ   PHE   2           HZ       PHE   2 -11.159   5.686   0.457
   21    H    CYS   3           HN       CYS   3  -3.640   3.954  -0.178
   22    HA   CYS   3           HA       CYS   3  -1.712   2.544   1.550
   23    HB2  CYS   3           HB2      CYS   3  -1.617   1.702  -0.709
   24    HB3  CYS   3           HB3      CYS   3  -1.501   3.332  -1.360
   25    HA   PRO   4           HA       PRO   4  -0.738   6.898   2.414
   26    HB2  PRO   4           HB2      PRO   4   0.169   6.541   4.908
   27    HB3  PRO   4           HB3      PRO   4  -1.561   6.509   4.544
   28    HG2  PRO   4           HG2      PRO   4   0.324   4.235   5.003
   29    HG3  PRO   4           HG3      PRO   4  -1.345   4.439   5.565
   30    HD2  PRO   4           HD2      PRO   4  -0.604   2.934   3.374
   31    HD3  PRO   4           HD3      PRO   4  -2.219   3.630   3.615
   32    H    PHE   5           HN       PHE   5   1.243   4.039   2.543
   33    HA   PHE   5           HA       PHE   5   3.577   5.638   1.822
   34    HB2  PHE   5           HB2      PHE   5   3.835   3.488   3.918
   35    HB3  PHE   5           HB3      PHE   5   5.009   4.720   3.467
   36    HD1  PHE   5           HD1      PHE   5   4.455   7.143   4.007
   37    HD2  PHE   5           HD2      PHE   5   2.338   3.843   5.661
   38    HE1  PHE   5           HE1      PHE   5   3.622   8.588   5.817
   39    HE2  PHE   5           HE2      PHE   5   1.502   5.281   7.472
   40    HZ   PHE   5           HZ       PHE   5   2.142   7.655   7.552
   41    H    GLY   6           HN       GLY   6   2.801   2.259   2.669
   42    HA2  GLY   6           HA1      GLY   6   3.337   1.433  -0.071
   43    HA3  GLY   6           HA2      GLY   6   4.445   0.819   1.147
   44    H    CYS   7           HN       CYS   7   3.931  -1.042   2.104
   45    HA   CYS   7           HA       CYS   7   1.321  -2.210   1.561
   46    HB2  CYS   7           HB2      CYS   7   3.382  -3.531   1.184
   47    HB3  CYS   7           HB3      CYS   7   3.749  -3.424   2.898
   48    H    ALA   8           HN       ALA   8   2.162  -0.082   3.738
   49    HA   ALA   8           HA       ALA   8   1.656  -1.219   6.255
   50    HB1  ALA   8           HB1      ALA   8   2.678   1.010   5.870
   51    HB2  ALA   8           HB2      ALA   8   1.090   1.617   5.405
   52    HB3  ALA   8           HB3      ALA   8   1.363   1.032   7.046
   53    H    LEU   9           HN       LEU   9  -0.140  -2.109   7.005
   54    HA   LEU   9           HA       LEU   9  -2.325  -2.684   7.276
   55    HB2  LEU   9           HB2      LEU   9  -2.308  -0.314   8.116
   56    HB3  LEU   9           HB3      LEU   9  -2.881   0.187   6.537
   57    HG   LEU   9           HG       LEU   9  -4.942  -1.080   6.848
   58   HD11  LEU   9          HD11      LEU   9  -3.791  -1.810   9.536
   59   HD12  LEU   9          HD12      LEU   9  -5.438  -2.143   8.999
   60   HD13  LEU   9          HD13      LEU   9  -4.073  -2.911   8.188
   61   HD21  LEU   9          HD21      LEU   9  -5.913   0.245   8.656
   62   HD22  LEU   9          HD22      LEU   9  -4.295   0.684   9.206
   63   HD23  LEU   9          HD23      LEU   9  -4.869   1.227   7.629
   64    H    VAL  10           HN       VAL  10  -1.087  -2.777   4.548
   65    HA   VAL  10           HA       VAL  10  -3.462  -2.476   2.858
   66    HB   VAL  10           HB       VAL  10  -0.599  -3.042   2.069
   67   HG11  VAL  10          HG11      VAL  10  -1.346  -2.593  -0.217
   68   HG12  VAL  10          HG12      VAL  10  -2.186  -3.982   0.474
   69   HG13  VAL  10          HG13      VAL  10  -3.004  -2.425   0.357
   70   HG21  VAL  10          HG21      VAL  10  -2.245  -0.523   2.048
   71   HG22  VAL  10          HG22      VAL  10  -0.730  -0.822   2.899
   72   HG23  VAL  10          HG23      VAL  10  -0.746  -0.709   1.139
   73    H    ASP  11           HN       ASP  11  -0.794  -4.843   2.791
   74    HA   ASP  11           HA       ASP  11  -2.666  -7.015   3.201
   75    HB2  ASP  11           HB2      ASP  11  -2.753  -6.545   0.753
   76    HB3  ASP  11           HB3      ASP  11  -1.026  -6.874   0.664
   77    H    CYS  12           HN       CYS  12  -0.398  -5.953   4.619
   78    HA   CYS  12           HA       CYS  12   0.858  -8.292   5.422
   79    HB2  CYS  12           HB2      CYS  12   2.967  -8.344   4.397
   80    HB3  CYS  12           HB3      CYS  12   1.869  -8.021   3.065
   81    H    GLY  13           HN       GLY  13   1.215  -4.825   4.963
   82    HA2  GLY  13           HA1      GLY  13   1.213  -3.517   7.070
   83    HA3  GLY  13           HA2      GLY  13   2.415  -4.657   7.658
   84    HA   PRO  14           HA       PRO  14   4.476  -0.961   5.558
   85    HB2  PRO  14           HB2      PRO  14   5.664   0.134   7.716
   86    HB3  PRO  14           HB3      PRO  14   4.002   0.531   7.255
   87    HG2  PRO  14           HG2      PRO  14   4.980  -1.406   9.325
   88    HG3  PRO  14           HG3      PRO  14   3.688  -0.196   9.454
   89    HD2  PRO  14           HD2      PRO  14   3.186  -2.814   8.984
   90    HD3  PRO  14           HD3      PRO  14   2.170  -1.516   8.323
   91    H    ASN  15           HN       ASN  15   5.508  -3.176   4.948
   92    HA   ASN  15           HA       ASN  15   8.284  -3.058   5.822
   93    HB2  ASN  15           HB2      ASN  15   6.663  -5.610   5.919
   94    HB3  ASN  15           HB3      ASN  15   8.402  -5.499   6.170
   95   HD21  ASN  15          HD21      ASN  15   5.264  -4.837   7.491
   96   HD22  ASN  15          HD22      ASN  15   5.787  -4.503   9.103
   97    H    ARG  16           HN       ARG  16   6.009  -4.880   3.762
   98    HA   ARG  16           HA       ARG  16   8.082  -5.239   1.752
   99    HB2  ARG  16           HB2      ARG  16   6.542  -7.099   2.358
  100    HB3  ARG  16           HB3      ARG  16   5.201  -6.156   1.724
  101    HG2  ARG  16           HG2      ARG  16   6.280  -6.165  -0.492
  102    HG3  ARG  16           HG3      ARG  16   7.554  -7.196   0.162
  103    HD2  ARG  16           HD2      ARG  16   4.614  -7.862   0.027
  104    HD3  ARG  16           HD3      ARG  16   5.878  -8.517  -1.014
  105    HE   ARG  16           HE       ARG  16   6.610  -9.067   1.607
  106   HH11  ARG  16          HH12      ARG  16   4.031  -9.900  -0.591
  107   HH12  ARG  16          HH11      ARG  16   3.744 -11.446   0.133
  108   HH21  ARG  16          HH22      ARG  16   6.234 -11.101   2.561
  109   HH22  ARG  16          HH21      ARG  16   4.994 -12.128   1.923
  110    HA   PRO  17           HA       PRO  17   6.637  -1.788  -0.639
  111    HB2  PRO  17           HB2      PRO  17   7.964  -2.240  -2.929
  112    HB3  PRO  17           HB3      PRO  17   8.806  -1.764  -1.450
  113    HG2  PRO  17           HG2      PRO  17   8.507  -4.479  -2.670
  114    HG3  PRO  17           HG3      PRO  17   9.938  -3.734  -1.935
  115    HD2  PRO  17           HD2      PRO  17   8.307  -5.521  -0.644
  116    HD3  PRO  17           HD3      PRO  17   9.290  -4.301   0.186
  117    H    CYS  18           HN       CYS  18   5.311  -1.269  -2.452
  118    HA   CYS  18           HA       CYS  18   4.076  -3.522  -3.865
  119    HB2  CYS  18           HB2      CYS  18   2.508  -1.345  -2.468
  120    HB3  CYS  18           HB3      CYS  18   1.831  -2.648  -3.441
  121    H    ARG  19           HN       ARG  19   2.530  -2.637  -5.609
  122    HA   ARG  19           HA       ARG  19   4.022  -0.630  -7.097
  123    HB2  ARG  19           HB2      ARG  19   1.751  -2.462  -7.878
  124    HB3  ARG  19           HB3      ARG  19   2.467  -1.283  -8.965
  125    HG2  ARG  19           HG2      ARG  19   3.401  -3.442  -9.416
  126    HG3  ARG  19           HG3      ARG  19   4.646  -2.417  -8.702
  127    HD2  ARG  19           HD2      ARG  19   4.429  -3.499  -6.588
  128    HD3  ARG  19           HD3      ARG  19   2.987  -4.367  -7.115
  129    HE   ARG  19           HE       ARG  19   5.240  -4.972  -8.748
  130   HH11  ARG  19          HH12      ARG  19   3.758  -5.680  -5.669
  131   HH12  ARG  19          HH11      ARG  19   4.482  -7.247  -5.539
  132   HH21  ARG  19          HH22      ARG  19   6.193  -7.035  -8.579
  133   HH22  ARG  19          HH21      ARG  19   5.866  -8.017  -7.190
  134    H    ASP  20           HN       ASP  20   3.474   1.435  -7.070
  135    HA   ASP  20           HA       ASP  20   0.861   2.230  -6.067
  136    HB2  ASP  20           HB2      ASP  20   2.868   3.356  -5.200
  137    HB3  ASP  20           HB3      ASP  20   3.265   3.905  -6.825
  138    H    THR  21           HN       THR  21  -0.743   2.282  -7.497
  139    HA   THR  21           HA       THR  21  -0.221   2.924 -10.287
  140    HB   THR  21           HB       THR  21  -2.836   2.180  -8.959
  141    HG1  THR  21           HG1      THR  21  -2.392   0.103  -9.749
  142   HG21  THR  21          HG21      THR  21  -2.035   2.253 -11.872
  143   HG22  THR  21          HG22      THR  21  -3.138   3.372 -11.071
  144   HG23  THR  21          HG23      THR  21  -3.577   1.673 -11.244
  145    H    GLY  22           HN       GLY  22  -1.651   4.343  -7.440
  146    HA2  GLY  22           HA1      GLY  22  -1.739   6.921  -8.746
  147    HA3  GLY  22           HA2      GLY  22  -3.319   6.281  -8.319
  148    H    PHE  23           HN       PHE  23  -3.827   7.791  -6.777
  149    HA   PHE  23           HA       PHE  23  -1.971   8.248  -4.567
  150    HB2  PHE  23           HB2      PHE  23  -4.085   9.700  -3.833
  151    HB3  PHE  23           HB3      PHE  23  -2.934  10.278  -5.037
  152    HD1  PHE  23           HD2      PHE  23  -6.266   8.817  -4.527
  153    HD2  PHE  23           HD1      PHE  23  -3.536  10.505  -7.320
  154    HE1  PHE  23           HE2      PHE  23  -8.070   8.974  -6.192
  155    HE2  PHE  23           HE1      PHE  23  -5.332  10.659  -8.990
  156    HZ   PHE  23           HZ       PHE  23  -7.592   9.884  -8.425
  157    H    SME  24           HN       SME  24  -1.950   6.873  -2.923
  158    HA   SME  24           HA       SME  24  -2.620   5.456  -1.274
  159    HB2  SME  24           HB2      SME  24  -5.290   6.809  -1.698
  160    HB3  SME  24           HB1      SME  24  -4.884   5.780  -0.333
  161    HG2  SME  24           HG2      SME  24  -3.154   7.355   0.350
  162    HG3  SME  24           HG1      SME  24  -3.548   8.387  -1.024
  163    HE1  SME  24           HE1      SME  24  -3.521   9.389   2.105
  164    HE2  SME  24           HE2      SME  24  -4.976  10.387   2.121
  165    HE3  SME  24           HE3      SME  24  -3.865  10.469   0.754
  166    H    SER  25           HN       SER  25  -2.388   4.223  -3.628
  167    HA   SER  25           HA       SER  25  -4.408   2.161  -3.465
  168    HB2  SER  25           HB2      SER  25  -3.898   3.644  -6.061
  169    HB3  SER  25           HB3      SER  25  -4.872   2.183  -5.898
  170    HG   SER  25           HG       SER  25  -6.156   4.075  -5.881
  171    H    CYS  26           HN       CYS  26  -2.361   1.288  -2.590
  172    HA   CYS  26           HA       CYS  26  -0.293   0.692  -4.542
  173    HB2  CYS  26           HB2      CYS  26  -0.564   0.295  -1.578
  174    HB3  CYS  26           HB3      CYS  26   0.724  -0.493  -2.483
  175    H    ASP  27           HN       ASP  27  -0.357  -1.045  -5.758
  176    HA   ASP  27           HA       ASP  27  -2.105  -3.270  -5.029
  177    HB2  ASP  27           HB2      ASP  27  -2.304  -2.335  -7.300
  178    HB3  ASP  27           HB3      ASP  27  -0.612  -2.715  -7.604
  179    H    CYS  28           HN       CYS  28  -1.098  -4.590  -3.628
  180    HA   CYS  28           HA       CYS  28   1.710  -5.265  -4.015
  181    HB2  CYS  28           HB2      CYS  28  -0.097  -6.321  -1.846
  182    HB3  CYS  28           HB3      CYS  28   1.659  -6.188  -1.835
  Start of MODEL   19
    1    H1   PHE   1           H1       PHE   1  -8.020  -0.690  -1.752
    2    H2   PHE   1           H2       PHE   1  -6.444  -0.437  -1.192
    3    H3   PHE   1           H3       PHE   1  -6.969   0.322  -2.609
    4    HA   PHE   1           HA       PHE   1  -8.564   1.621  -1.381
    5    HB2  PHE   1           HB2      PHE   1  -8.530   1.571   1.082
    6    HB3  PHE   1           HB3      PHE   1  -8.999   0.013   0.410
    7    HD1  PHE   1           HD1      PHE   1  -6.414   1.858   2.215
    8    HD2  PHE   1           HD2      PHE   1  -7.553  -1.913   0.604
    9    HE1  PHE   1           HE1      PHE   1  -4.639   0.767   3.523
   10    HE2  PHE   1           HE2      PHE   1  -5.782  -3.012   1.911
   11    HZ   PHE   1           HZ       PHE   1  -4.321  -1.671   3.374
   12    H    PHE   2           HN       PHE   2  -7.907   3.501   0.119
   13    HA   PHE   2           HA       PHE   2  -5.624   4.722  -0.943
   14    HB2  PHE   2           HB2      PHE   2  -7.488   6.012  -0.035
   15    HB3  PHE   2           HB3      PHE   2  -7.158   5.391   1.579
   16    HD1  PHE   2           HD2      PHE   2  -4.900   5.955   2.623
   17    HD2  PHE   2           HD1      PHE   2  -6.468   7.962  -0.785
   18    HE1  PHE   2           HE2      PHE   2  -3.382   7.844   3.044
   19    HE2  PHE   2           HE1      PHE   2  -4.952   9.855  -0.372
   20    HZ   PHE   2           HZ       PHE   2  -3.407   9.798   1.545
   21    H    CYS   3           HN       CYS   3  -3.560   4.318  -0.562
   22    HA   CYS   3           HA       CYS   3  -2.797   3.035   1.960
   23    HB2  CYS   3           HB2      CYS   3  -0.708   2.449   0.812
   24    HB3  CYS   3           HB3      CYS   3  -2.113   1.894  -0.092
   25    HA   PRO   4           HA       PRO   4  -1.126   7.034   3.134
   26    HB2  PRO   4           HB2      PRO   4  -0.380   6.368   5.634
   27    HB3  PRO   4           HB3      PRO   4  -2.075   6.616   5.197
   28    HG2  PRO   4           HG2      PRO   4  -0.554   4.059   5.513
   29    HG3  PRO   4           HG3      PRO   4  -2.191   4.462   6.061
   30    HD2  PRO   4           HD2      PRO   4  -1.671   3.029   3.796
   31    HD3  PRO   4           HD3      PRO   4  -3.115   4.037   4.005
   32    H    PHE   5           HN       PHE   5   0.536   3.993   3.029
   33    HA   PHE   5           HA       PHE   5   3.077   5.423   2.735
   34    HB2  PHE   5           HB2      PHE   5   2.853   2.876   4.340
   35    HB3  PHE   5           HB3      PHE   5   4.262   3.916   4.165
   36    HD1  PHE   5           HD2      PHE   5   4.155   6.250   5.147
   37    HD2  PHE   5           HD1      PHE   5   1.320   3.211   6.062
   38    HE1  PHE   5           HE2      PHE   5   3.491   7.483   7.171
   39    HE2  PHE   5           HE1      PHE   5   0.650   4.439   8.085
   40    HZ   PHE   5           HZ       PHE   5   1.734   6.577   8.641
   41    H    GLY   6           HN       GLY   6   1.963   2.030   2.778
   42    HA2  GLY   6           HA1      GLY   6   2.229   1.690  -0.033
   43    HA3  GLY   6           HA2      GLY   6   3.653   1.084   0.796
   44    H    CYS   7           HN       CYS   7   3.551  -0.814   1.922
   45    HA   CYS   7           HA       CYS   7   1.215  -2.468   1.397
   46    HB2  CYS   7           HB2      CYS   7   3.455  -3.344   0.894
   47    HB3  CYS   7           HB3      CYS   7   3.910  -3.166   2.582
   48    H    ALA   8           HN       ALA   8   1.632  -0.284   3.617
   49    HA   ALA   8           HA       ALA   8   1.501  -1.540   6.116
   50    HB1  ALA   8           HB1      ALA   8   0.643   0.563   6.952
   51    HB2  ALA   8           HB2      ALA   8   1.933   0.865   5.788
   52    HB3  ALA   8           HB3      ALA   8   0.248   1.084   5.314
   53    H    LEU   9           HN       LEU   9   0.021  -2.892   6.868
   54    HA   LEU   9           HA       LEU   9  -1.944  -3.985   7.209
   55    HB2  LEU   9           HB2      LEU   9  -3.098  -1.255   6.637
   56    HB3  LEU   9           HB3      LEU   9  -3.971  -2.589   7.367
   57    HG   LEU   9           HG       LEU   9  -1.602  -1.154   8.566
   58   HD11  LEU   9          HD11      LEU   9  -3.219  -0.381  10.228
   59   HD12  LEU   9          HD12      LEU   9  -3.645   0.168   8.606
   60   HD13  LEU   9          HD13      LEU   9  -4.516  -1.180   9.338
   61   HD21  LEU   9          HD21      LEU   9  -3.282  -3.405   9.665
   62   HD22  LEU   9          HD22      LEU   9  -1.595  -3.514   9.162
   63   HD23  LEU   9          HD23      LEU   9  -2.039  -2.521  10.549
   64    H    VAL  10           HN       VAL  10  -0.847  -3.681   4.419
   65    HA   VAL  10           HA       VAL  10  -3.297  -3.938   2.841
   66    HB   VAL  10           HB       VAL  10  -0.424  -3.850   1.902
   67   HG11  VAL  10          HG11      VAL  10  -1.395  -3.481  -0.320
   68   HG12  VAL  10          HG12      VAL  10  -1.867  -5.044   0.348
   69   HG13  VAL  10          HG13      VAL  10  -3.010  -3.701   0.355
   70   HG21  VAL  10          HG21      VAL  10  -1.029  -1.737   2.880
   71   HG22  VAL  10          HG22      VAL  10  -1.018  -1.568   1.125
   72   HG23  VAL  10          HG23      VAL  10  -2.550  -1.713   1.987
   73    H    ASP  11           HN       ASP  11  -0.163  -5.627   2.618
   74    HA   ASP  11           HA       ASP  11  -1.465  -8.176   3.060
   75    HB2  ASP  11           HB2      ASP  11  -1.769  -7.716   0.628
   76    HB3  ASP  11           HB3      ASP  11  -0.017  -7.635   0.461
   77    H    CYS  12           HN       CYS  12   0.558  -6.636   4.408
   78    HA   CYS  12           HA       CYS  12   2.359  -8.642   5.082
   79    HB2  CYS  12           HB2      CYS  12   4.377  -8.143   3.990
   80    HB3  CYS  12           HB3      CYS  12   3.174  -8.068   2.711
   81    H    GLY  13           HN       GLY  13   1.867  -5.171   4.767
   82    HA2  GLY  13           HA1      GLY  13   1.634  -4.032   6.982
   83    HA3  GLY  13           HA2      GLY  13   3.149  -4.816   7.405
   84    HA   PRO  14           HA       PRO  14   3.987  -0.615   5.464
   85    HB2  PRO  14           HB2      PRO  14   4.919   0.696   7.610
   86    HB3  PRO  14           HB3      PRO  14   3.186   0.571   7.286
   87    HG2  PRO  14           HG2      PRO  14   4.879  -1.039   9.161
   88    HG3  PRO  14           HG3      PRO  14   3.289  -0.307   9.446
   89    HD2  PRO  14           HD2      PRO  14   3.626  -2.936   8.823
   90    HD3  PRO  14           HD3      PRO  14   2.176  -2.014   8.376
   91    H    ASN  15           HN       ASN  15   5.581  -2.380   4.662
   92    HA   ASN  15           HA       ASN  15   8.244  -1.495   5.406
   93    HB2  ASN  15           HB2      ASN  15   7.891  -3.386   6.905
   94    HB3  ASN  15           HB3      ASN  15   7.425  -4.403   5.546
   95   HD21  ASN  15          HD21      ASN  15  10.055  -2.071   5.528
   96   HD22  ASN  15          HD22      ASN  15  11.325  -3.231   5.380
   97    H    ARG  16           HN       ARG  16   6.471  -3.873   3.423
   98    HA   ARG  16           HA       ARG  16   8.421  -3.528   1.279
   99    HB2  ARG  16           HB2      ARG  16   6.046  -5.391   1.449
  100    HB3  ARG  16           HB3      ARG  16   7.293  -5.414   0.207
  101    HG2  ARG  16           HG2      ARG  16   8.967  -5.953   1.923
  102    HG3  ARG  16           HG3      ARG  16   7.689  -5.985   3.138
  103    HD2  ARG  16           HD2      ARG  16   8.211  -8.238   2.409
  104    HD3  ARG  16           HD3      ARG  16   6.580  -7.794   1.903
  105    HE   ARG  16           HE       ARG  16   8.150  -7.166  -0.237
  106   HH11  ARG  16          HH12      ARG  16   7.603 -10.057   1.637
  107   HH12  ARG  16          HH11      ARG  16   7.916 -11.126   0.312
  108   HH21  ARG  16          HH22      ARG  16   8.563  -8.569  -1.982
  109   HH22  ARG  16          HH21      ARG  16   8.462 -10.282  -1.742
  110    HA   PRO  17           HA       PRO  17   5.685  -0.968  -1.077
  111    HB2  PRO  17           HB2      PRO  17   6.852  -1.091  -3.470
  112    HB3  PRO  17           HB3      PRO  17   7.693  -0.382  -2.086
  113    HG2  PRO  17           HG2      PRO  17   8.040  -3.065  -3.345
  114    HG3  PRO  17           HG3      PRO  17   9.260  -1.980  -2.660
  115    HD2  PRO  17           HD2      PRO  17   8.120  -4.186  -1.372
  116    HD3  PRO  17           HD3      PRO  17   9.021  -2.876  -0.586
  117    H    CYS  18           HN       CYS  18   4.041  -0.970  -2.656
  118    HA   CYS  18           HA       CYS  18   3.286  -3.635  -3.670
  119    HB2  CYS  18           HB2      CYS  18   1.484  -1.385  -2.757
  120    HB3  CYS  18           HB3      CYS  18   0.927  -2.882  -3.493
  121    H    ARG  19           HN       ARG  19   1.572  -3.354  -5.496
  122    HA   ARG  19           HA       ARG  19   2.835  -1.691  -7.524
  123    HB2  ARG  19           HB2      ARG  19   0.636  -3.756  -7.748
  124    HB3  ARG  19           HB3      ARG  19   1.387  -2.926  -9.104
  125    HG2  ARG  19           HG2      ARG  19   2.776  -4.774  -7.175
  126    HG3  ARG  19           HG3      ARG  19   2.292  -5.163  -8.827
  127    HD2  ARG  19           HD2      ARG  19   4.276  -3.044  -8.006
  128    HD3  ARG  19           HD3      ARG  19   4.667  -4.612  -8.709
  129    HE   ARG  19           HE       ARG  19   2.988  -3.456 -10.520
  130   HH11  ARG  19          HH12      ARG  19   5.998  -2.524  -9.024
  131   HH12  ARG  19          HH11      ARG  19   6.529  -1.591 -10.381
  132   HH21  ARG  19          HH22      ARG  19   3.683  -2.226 -12.308
  133   HH22  ARG  19          HH21      ARG  19   5.215  -1.421 -12.246
  134    H    ASP  20           HN       ASP  20   2.121   0.350  -6.741
  135    HA   ASP  20           HA       ASP  20  -0.760   0.862  -7.006
  136    HB2  ASP  20           HB2      ASP  20  -0.341   2.918  -5.728
  137    HB3  ASP  20           HB3      ASP  20   0.214   1.497  -4.851
  138    H    THR  21           HN       THR  21  -1.544   2.410  -8.374
  139    HA   THR  21           HA       THR  21   0.250   3.268 -10.501
  140    HB   THR  21           HB       THR  21  -2.746   3.631 -10.263
  141    HG1  THR  21           HG1      THR  21  -2.693   1.863 -11.850
  142   HG21  THR  21          HG21      THR  21  -0.891   3.914 -12.631
  143   HG22  THR  21          HG22      THR  21  -1.714   5.229 -11.793
  144   HG23  THR  21          HG23      THR  21  -2.650   4.030 -12.686
  145    H    GLY  22           HN       GLY  22  -1.415   4.532  -7.746
  146    HA2  GLY  22           HA1      GLY  22  -0.298   7.191  -8.332
  147    HA3  GLY  22           HA2      GLY  22  -1.972   7.035  -7.817
  148    H    PHE  23           HN       PHE  23  -1.013   8.559  -6.127
  149    HA   PHE  23           HA       PHE  23   0.529   7.180  -4.063
  150    HB2  PHE  23           HB2      PHE  23   0.106   9.573  -2.948
  151    HB3  PHE  23           HB3      PHE  23   1.363   9.313  -4.156
  152    HD1  PHE  23           HD1      PHE  23  -1.983  10.696  -3.551
  153    HD2  PHE  23           HD2      PHE  23   1.194  10.229  -6.343
  154    HE1  PHE  23           HE1      PHE  23  -3.035  12.362  -5.023
  155    HE2  PHE  23           HE2      PHE  23   0.153  11.899  -7.816
  156    HZ   PHE  23           HZ       PHE  23  -1.965  12.952  -7.157
  157    H    SME  24           HN       SME  24  -1.874   5.948  -4.333
  158    HA   SME  24           HA       SME  24  -2.902   5.951  -1.738
  159    HB2  SME  24           HB2      SME  24  -5.149   6.914  -2.116
  160    HB3  SME  24           HB1      SME  24  -3.870   8.111  -2.253
  161    HG2  SME  24           HG2      SME  24  -3.982   7.915  -4.701
  162    HG3  SME  24           HG1      SME  24  -5.309   6.768  -4.529
  163    HE1  SME  24           HE1      SME  24  -4.209  10.554  -3.952
  164    HE2  SME  24           HE2      SME  24  -4.690  10.026  -2.339
  165    HE3  SME  24           HE3      SME  24  -5.675  11.200  -3.213
  166    H    SER  25           HN       SER  25  -2.145   4.118  -3.865
  167    HA   SER  25           HA       SER  25  -4.456   2.383  -3.722
  168    HB2  SER  25           HB2      SER  25  -3.258   3.172  -6.392
  169    HB3  SER  25           HB3      SER  25  -4.457   1.901  -6.151
  170    HG   SER  25           HG       SER  25  -5.975   3.364  -5.857
  171    H    CYS  26           HN       CYS  26  -2.500   1.751  -2.261
  172    HA   CYS  26           HA       CYS  26  -0.523   0.185  -3.739
  173    HB2  CYS  26           HB2      CYS  26  -0.653   0.709  -0.770
  174    HB3  CYS  26           HB3      CYS  26   0.706   0.052  -1.670
  175    H    ASP  27           HN       ASP  27  -1.061  -1.815  -4.213
  176    HA   ASP  27           HA       ASP  27  -2.331  -3.459  -2.133
  177    HB2  ASP  27           HB2      ASP  27  -4.061  -2.816  -3.761
  178    HB3  ASP  27           HB3      ASP  27  -3.076  -3.467  -5.067
  179    H    CYS  28           HN       CYS  28  -0.840  -4.917  -1.597
  180    HA   CYS  28           HA       CYS  28   1.044  -5.901  -3.586
  181    HB2  CYS  28           HB2      CYS  28   0.834  -6.153  -0.597
  182    HB3  CYS  28           HB3      CYS  28   1.922  -7.186  -1.516
  Start of MODEL   20
    1    H1   PHE   1           H1       PHE   1  -8.148  -0.523  -1.950
    2    H2   PHE   1           H2       PHE   1  -9.305   0.703  -1.815
    3    H3   PHE   1           H3       PHE   1  -9.576  -0.798  -1.085
    4    HA   PHE   1           HA       PHE   1  -8.944   0.868   0.538
    5    HB2  PHE   1           HB2      PHE   1  -7.048  -0.405   1.547
    6    HB3  PHE   1           HB3      PHE   1  -8.384  -1.428   1.031
    7    HD1  PHE   1           HD1      PHE   1  -8.157  -2.892  -0.901
    8    HD2  PHE   1           HD2      PHE   1  -4.909  -0.507   0.467
    9    HE1  PHE   1           HE1      PHE   1  -6.602  -4.248  -2.241
   10    HE2  PHE   1           HE2      PHE   1  -3.349  -1.858  -0.871
   11    HZ   PHE   1           HZ       PHE   1  -4.195  -3.732  -2.228
   12    H    PHE   2           HN       PHE   2  -7.770   2.611   1.064
   13    HA   PHE   2           HA       PHE   2  -5.844   3.581  -0.890
   14    HB2  PHE   2           HB2      PHE   2  -7.079   4.908   1.532
   15    HB3  PHE   2           HB3      PHE   2  -5.996   5.704   0.396
   16    HD1  PHE   2           HD1      PHE   2  -6.724   5.936  -2.005
   17    HD2  PHE   2           HD2      PHE   2  -9.371   4.737   1.103
   18    HE1  PHE   2           HE1      PHE   2  -8.648   6.537  -3.417
   19    HE2  PHE   2           HE2      PHE   2 -11.300   5.334  -0.304
   20    HZ   PHE   2           HZ       PHE   2 -10.939   6.235  -2.568
   21    H    CYS   3           HN       CYS   3  -3.692   3.712  -0.577
   22    HA   CYS   3           HA       CYS   3  -2.655   2.741   1.987
   23    HB2  CYS   3           HB2      CYS   3  -0.614   2.186   0.819
   24    HB3  CYS   3           HB3      CYS   3  -1.979   1.530  -0.078
   25    HA   PRO   4           HA       PRO   4  -1.209   6.905   2.679
   26    HB2  PRO   4           HB2      PRO   4  -0.320   6.586   5.175
   27    HB3  PRO   4           HB3      PRO   4  -2.047   6.512   4.803
   28    HG2  PRO   4           HG2      PRO   4  -0.131   4.300   5.362
   29    HG3  PRO   4           HG3      PRO   4  -1.837   4.449   5.812
   30    HD2  PRO   4           HD2      PRO   4  -0.825   2.994   3.642
   31    HD3  PRO   4           HD3      PRO   4  -2.520   3.462   3.884
   32    H    PHE   5           HN       PHE   5   0.787   4.054   2.853
   33    HA   PHE   5           HA       PHE   5   3.120   5.673   2.154
   34    HB2  PHE   5           HB2      PHE   5   3.341   3.486   4.218
   35    HB3  PHE   5           HB3      PHE   5   4.543   4.697   3.784
   36    HD1  PHE   5           HD2      PHE   5   3.976   7.145   4.300
   37    HD2  PHE   5           HD1      PHE   5   1.909   3.839   6.002
   38    HE1  PHE   5           HE2      PHE   5   3.170   8.591   6.121
   39    HE2  PHE   5           HE1      PHE   5   1.098   5.277   7.825
   40    HZ   PHE   5           HZ       PHE   5   1.727   7.657   7.886
   41    H    GLY   6           HN       GLY   6   1.869   2.382   2.644
   42    HA2  GLY   6           HA1      GLY   6   2.427   1.548   0.011
   43    HA3  GLY   6           HA2      GLY   6   3.740   1.031   1.058
   44    H    CYS   7           HN       CYS   7   3.530  -0.878   2.018
   45    HA   CYS   7           HA       CYS   7   0.972  -2.256   1.850
   46    HB2  CYS   7           HB2      CYS   7   3.076  -3.368   1.131
   47    HB3  CYS   7           HB3      CYS   7   3.657  -3.288   2.785
   48    H    ALA   8           HN       ALA   8   1.748  -0.059   3.880
   49    HA   ALA   8           HA       ALA   8   1.823  -1.266   6.437
   50    HB1  ALA   8           HB1      ALA   8   1.361   0.949   7.303
   51    HB2  ALA   8           HB2      ALA   8   2.548   1.046   6.002
   52    HB3  ALA   8           HB3      ALA   8   0.871   1.499   5.700
   53    H    LEU   9           HN       LEU   9   0.264  -2.373   7.405
   54    HA   LEU   9           HA       LEU   9  -1.782  -3.191   7.971
   55    HB2  LEU   9           HB2      LEU   9  -2.431  -0.280   7.589
   56    HB3  LEU   9           HB3      LEU   9  -3.598  -1.442   8.193
   57    HG   LEU   9           HG       LEU   9  -2.677  -0.321  10.071
   58   HD11  LEU   9          HD11      LEU   9  -1.725  -2.128  11.347
   59   HD12  LEU   9          HD12      LEU   9  -3.000  -2.751  10.298
   60   HD13  LEU   9          HD13      LEU   9  -1.306  -2.992   9.868
   61   HD21  LEU   9          HD21      LEU   9  -0.321  -0.146  10.535
   62   HD22  LEU   9          HD22      LEU   9   0.067  -1.086   9.094
   63   HD23  LEU   9          HD23      LEU   9  -0.647   0.519   8.935
   64    H    VAL  10           HN       VAL  10  -0.986  -3.107   5.096
   65    HA   VAL  10           HA       VAL  10  -3.610  -2.984   3.797
   66    HB   VAL  10           HB       VAL  10  -0.879  -3.278   2.535
   67   HG11  VAL  10          HG11      VAL  10  -2.096  -2.666   0.451
   68   HG12  VAL  10          HG12      VAL  10  -2.556  -4.233   1.115
   69   HG13  VAL  10          HG13      VAL  10  -3.609  -2.838   1.341
   70   HG21  VAL  10          HG21      VAL  10  -2.650  -0.875   2.926
   71   HG22  VAL  10          HG22      VAL  10  -1.011  -1.119   3.530
   72   HG23  VAL  10          HG23      VAL  10  -1.293  -0.917   1.801
   73    H    ASP  11           HN       ASP  11  -0.771  -5.078   3.258
   74    HA   ASP  11           HA       ASP  11  -2.355  -7.433   3.833
   75    HB2  ASP  11           HB2      ASP  11  -1.293  -6.816   1.076
   76    HB3  ASP  11           HB3      ASP  11  -1.700  -8.452   1.590
   77    H    CYS  12           HN       CYS  12  -0.015  -6.189   4.963
   78    HA   CYS  12           HA       CYS  12   1.545  -8.405   5.524
   79    HB2  CYS  12           HB2      CYS  12   3.467  -8.289   4.193
   80    HB3  CYS  12           HB3      CYS  12   2.168  -8.024   3.041
   81    H    GLY  13           HN       GLY  13   1.517  -4.920   5.088
   82    HA2  GLY  13           HA1      GLY  13   1.753  -3.573   7.128
   83    HA3  GLY  13           HA2      GLY  13   3.056  -4.657   7.596
   84    HA   PRO  14           HA       PRO  14   4.711  -0.963   5.159
   85    HB2  PRO  14           HB2      PRO  14   6.014   0.330   7.133
   86    HB3  PRO  14           HB3      PRO  14   4.300   0.609   6.797
   87    HG2  PRO  14           HG2      PRO  14   5.562  -1.101   8.908
   88    HG3  PRO  14           HG3      PRO  14   4.190   0.015   9.046
   89    HD2  PRO  14           HD2      PRO  14   3.899  -2.681   8.791
   90    HD3  PRO  14           HD3      PRO  14   2.702  -1.516   8.190
   91    H    ASN  15           HN       ASN  15   5.765  -3.277   4.719
   92    HA   ASN  15           HA       ASN  15   8.611  -2.937   5.303
   93    HB2  ASN  15           HB2      ASN  15   7.093  -5.515   5.737
   94    HB3  ASN  15           HB3      ASN  15   8.848  -5.371   5.762
   95   HD21  ASN  15          HD21      ASN  15   6.953  -6.191   7.850
   96   HD22  ASN  15          HD22      ASN  15   7.253  -5.142   9.188
   97    H    ARG  16           HN       ARG  16   6.228  -4.900   3.507
   98    HA   ARG  16           HA       ARG  16   8.188  -5.398   1.418
   99    HB2  ARG  16           HB2      ARG  16   5.297  -6.260   1.507
  100    HB3  ARG  16           HB3      ARG  16   6.554  -6.883   0.450
  101    HG2  ARG  16           HG2      ARG  16   7.731  -7.802   2.384
  102    HG3  ARG  16           HG3      ARG  16   6.461  -7.185   3.444
  103    HD2  ARG  16           HD2      ARG  16   6.143  -9.559   2.957
  104    HD3  ARG  16           HD3      ARG  16   4.819  -8.587   2.316
  105    HE   ARG  16           HE       ARG  16   6.738  -8.914   0.305
  106   HH11  ARG  16          HH12      ARG  16   4.434 -10.814   2.109
  107   HH12  ARG  16          HH11      ARG  16   4.197 -11.964   0.837
  108   HH21  ARG  16          HH22      ARG  16   6.429 -10.426  -1.370
  109   HH22  ARG  16          HH21      ARG  16   5.331 -11.744  -1.139
  110    HA   PRO  17           HA       PRO  17   6.745  -1.839  -0.893
  111    HB2  PRO  17           HB2      PRO  17   8.374  -2.901  -3.088
  112    HB3  PRO  17           HB3      PRO  17   8.552  -1.390  -2.194
  113    HG2  PRO  17           HG2      PRO  17  10.288  -3.438  -1.924
  114    HG3  PRO  17           HG3      PRO  17   9.893  -2.342  -0.588
  115    HD2  PRO  17           HD2      PRO  17   8.892  -5.112  -1.129
  116    HD3  PRO  17           HD3      PRO  17   9.361  -4.361   0.411
  117    H    CYS  18           HN       CYS  18   4.997  -1.594  -2.145
  118    HA   CYS  18           HA       CYS  18   4.173  -3.857  -3.847
  119    HB2  CYS  18           HB2      CYS  18   2.414  -1.918  -2.333
  120    HB3  CYS  18           HB3      CYS  18   1.838  -3.187  -3.412
  121    H    ARG  19           HN       ARG  19   2.459  -3.041  -5.511
  122    HA   ARG  19           HA       ARG  19   3.786  -0.932  -7.015
  123    HB2  ARG  19           HB2      ARG  19   1.467  -2.670  -7.865
  124    HB3  ARG  19           HB3      ARG  19   2.491  -1.689  -8.905
  125    HG2  ARG  19           HG2      ARG  19   3.334  -4.122  -7.346
  126    HG3  ARG  19           HG3      ARG  19   3.095  -4.017  -9.091
  127    HD2  ARG  19           HD2      ARG  19   4.913  -2.403  -9.255
  128    HD3  ARG  19           HD3      ARG  19   5.134  -2.459  -7.507
  129    HE   ARG  19           HE       ARG  19   5.364  -5.021  -8.796
  130   HH11  ARG  19          HH12      ARG  19   7.066  -2.127  -7.845
  131   HH12  ARG  19          HH11      ARG  19   8.616  -2.898  -7.817
  132   HH21  ARG  19          HH22      ARG  19   7.402  -6.036  -8.759
  133   HH22  ARG  19          HH21      ARG  19   8.807  -5.118  -8.336
  134    H    ASP  20           HN       ASP  20   3.112   1.092  -7.011
  135    HA   ASP  20           HA       ASP  20   0.438   1.712  -5.997
  136    HB2  ASP  20           HB2      ASP  20   1.278   4.022  -5.793
  137    HB3  ASP  20           HB3      ASP  20   2.305   2.877  -4.934
  138    H    THR  21           HN       THR  21  -1.059   2.899  -7.146
  139    HA   THR  21           HA       THR  21  -0.602   2.997 -10.041
  140    HB   THR  21           HB       THR  21  -3.211   3.239  -8.530
  141    HG1  THR  21           HG1      THR  21  -3.479   1.056  -9.448
  142   HG21  THR  21          HG21      THR  21  -4.242   2.840 -10.722
  143   HG22  THR  21          HG22      THR  21  -2.645   2.838 -11.470
  144   HG23  THR  21          HG23      THR  21  -3.269   4.311 -10.726
  145    H    GLY  22           HN       GLY  22  -1.243   5.014  -7.272
  146    HA2  GLY  22           HA1      GLY  22  -0.369   7.368  -8.485
  147    HA3  GLY  22           HA2      GLY  22  -2.119   7.330  -8.641
  148    H    PHE  23           HN       PHE  23  -3.264   8.185  -7.039
  149    HA   PHE  23           HA       PHE  23  -1.869   8.954  -4.588
  150    HB2  PHE  23           HB2      PHE  23  -4.291   9.995  -4.198
  151    HB3  PHE  23           HB3      PHE  23  -3.104  10.778  -5.239
  152    HD1  PHE  23           HD2      PHE  23  -6.154   8.733  -5.172
  153    HD2  PHE  23           HD1      PHE  23  -3.404  10.900  -7.588
  154    HE1  PHE  23           HE2      PHE  23  -7.699   8.564  -7.078
  155    HE2  PHE  23           HE1      PHE  23  -4.940  10.730  -9.499
  156    HZ   PHE  23           HZ       PHE  23  -7.079   9.554  -9.241
  157    H    SME  24           HN       SME  24  -1.690   7.203  -3.279
  158    HA   SME  24           HA       SME  24  -2.290   5.584  -1.800
  159    HB2  SME  24           HB2      SME  24  -5.004   6.909  -1.947
  160    HB3  SME  24           HB1      SME  24  -4.473   5.783  -0.706
  161    HG2  SME  24           HG2      SME  24  -2.760   7.362   0.006
  162    HG3  SME  24           HG1      SME  24  -3.276   8.491  -1.245
  163    HE1  SME  24           HE1      SME  24  -3.559  10.410   0.723
  164    HE2  SME  24           HE2      SME  24  -3.074   9.229   1.939
  165    HE3  SME  24           HE3      SME  24  -4.561  10.153   2.150
  166    H    SER  25           HN       SER  25  -1.965   4.248  -3.802
  167    HA   SER  25           HA       SER  25  -4.242   2.482  -4.120
  168    HB2  SER  25           HB2      SER  25  -4.578   4.086  -5.951
  169    HB3  SER  25           HB3      SER  25  -2.931   3.801  -6.513
  170    HG   SER  25           HG       SER  25  -4.828   1.718  -6.271
  171    H    CYS  26           HN       CYS  26  -2.354   1.615  -2.715
  172    HA   CYS  26           HA       CYS  26  -0.175   0.496  -4.278
  173    HB2  CYS  26           HB2      CYS  26  -0.778   0.302  -1.323
  174    HB3  CYS  26           HB3      CYS  26   0.693  -0.264  -2.107
  175    H    ASP  27           HN       ASP  27  -0.396  -1.373  -5.272
  176    HA   ASP  27           HA       ASP  27  -2.217  -3.389  -4.129
  177    HB2  ASP  27           HB2      ASP  27  -2.459  -4.276  -6.412
  178    HB3  ASP  27           HB3      ASP  27  -2.947  -2.585  -6.329
  179    H    CYS  28           HN       CYS  28  -1.381  -5.286  -3.523
  180    HA   CYS  28           HA       CYS  28   1.424  -5.832  -4.243
  181    HB2  CYS  28           HB2      CYS  28   0.081  -7.025  -1.839
  182    HB3  CYS  28           HB3      CYS  28   1.795  -6.744  -2.127
  Start of MODEL   21
    1    H1   PHE   1           H1       PHE   1  -8.337   0.081  -1.197
    2    H2   PHE   1           H2       PHE   1  -9.267   1.430  -0.784
    3    H3   PHE   1           H3       PHE   1  -9.606  -0.074  -0.088
    4    HA   PHE   1           HA       PHE   1  -8.464   1.360   1.470
    5    HB2  PHE   1           HB2      PHE   1  -6.580  -0.193   2.000
    6    HB3  PHE   1           HB3      PHE   1  -8.113  -1.011   1.720
    7    HD1  PHE   1           HD1      PHE   1  -4.838  -0.209   0.219
    8    HD2  PHE   1           HD2      PHE   1  -8.356  -2.590  -0.012
    9    HE1  PHE   1           HE1      PHE   1  -3.763  -1.624  -1.483
   10    HE2  PHE   1           HE2      PHE   1  -7.289  -4.011  -1.714
   11    HZ   PHE   1           HZ       PHE   1  -4.989  -3.529  -2.452
   12    H    PHE   2           HN       PHE   2  -7.092   2.983   1.784
   13    HA   PHE   2           HA       PHE   2  -5.380   3.796  -0.424
   14    HB2  PHE   2           HB2      PHE   2  -5.134   5.900   0.836
   15    HB3  PHE   2           HB3      PHE   2  -6.825   5.483   0.584
   16    HD1  PHE   2           HD2      PHE   2  -4.135   5.789   3.045
   17    HD2  PHE   2           HD1      PHE   2  -8.243   4.863   2.427
   18    HE1  PHE   2           HE2      PHE   2  -4.536   5.973   5.465
   19    HE2  PHE   2           HE1      PHE   2  -8.652   5.044   4.847
   20    HZ   PHE   2           HZ       PHE   2  -6.797   5.599   6.370
   21    H    CYS   3           HN       CYS   3  -3.165   4.211  -0.233
   22    HA   CYS   3           HA       CYS   3  -1.831   3.270   2.200
   23    HB2  CYS   3           HB2      CYS   3  -0.916   2.425  -0.550
   24    HB3  CYS   3           HB3      CYS   3  -0.319   1.857   1.005
   25    HA   PRO   4           HA       PRO   4   0.388   7.027   1.220
   26    HB2  PRO   4           HB2      PRO   4   1.810   7.228   3.473
   27    HB3  PRO   4           HB3      PRO   4   0.060   7.483   3.465
   28    HG2  PRO   4           HG2      PRO   4   1.622   5.077   4.312
   29    HG3  PRO   4           HG3      PRO   4   0.202   5.815   5.074
   30    HD2  PRO   4           HD2      PRO   4   0.124   3.604   3.420
   31    HD3  PRO   4           HD3      PRO   4  -1.249   4.689   3.716
   32    H    PHE   5           HN       PHE   5   2.090   4.142   2.414
   33    HA   PHE   5           HA       PHE   5   4.325   4.846   0.629
   34    HB2  PHE   5           HB2      PHE   5   4.771   3.414   3.238
   35    HB3  PHE   5           HB3      PHE   5   5.943   4.252   2.228
   36    HD1  PHE   5           HD1      PHE   5   5.872   6.760   2.114
   37    HD2  PHE   5           HD2      PHE   5   3.626   4.522   4.952
   38    HE1  PHE   5           HE1      PHE   5   5.598   8.783   3.488
   39    HE2  PHE   5           HE2      PHE   5   3.348   6.540   6.331
   40    HZ   PHE   5           HZ       PHE   5   4.333   8.673   5.599
   41    H    GLY   6           HN       GLY   6   3.477   2.080   2.720
   42    HA2  GLY   6           HA1      GLY   6   3.616   0.371   0.314
   43    HA3  GLY   6           HA2      GLY   6   4.329  -0.112   1.846
   44    H    CYS   7           HN       CYS   7   3.079  -1.971   2.038
   45    HA   CYS   7           HA       CYS   7   0.183  -1.700   2.055
   46    HB2  CYS   7           HB2      CYS   7   0.116  -4.108   2.205
   47    HB3  CYS   7           HB3      CYS   7   1.268  -3.652   0.959
   48    H    ALA   8           HN       ALA   8   1.482  -0.255   4.083
   49    HA   ALA   8           HA       ALA   8   1.729  -1.527   6.544
   50    HB1  ALA   8           HB1      ALA   8   0.758   1.281   6.018
   51    HB2  ALA   8           HB2      ALA   8   1.394   0.669   7.545
   52    HB3  ALA   8           HB3      ALA   8   2.445   0.778   6.132
   53    H    LEU   9           HN       LEU   9   0.255  -2.819   7.432
   54    HA   LEU   9           HA       LEU   9  -1.707  -3.598   8.281
   55    HB2  LEU   9           HB2      LEU   9  -1.619  -1.344   9.398
   56    HB3  LEU   9           HB3      LEU   9  -2.646  -0.735   8.115
   57    HG   LEU   9           HG       LEU   9  -4.433  -2.267   8.795
   58   HD11  LEU   9          HD11      LEU   9  -2.536  -3.077  10.993
   59   HD12  LEU   9          HD12      LEU   9  -4.228  -3.557  10.863
   60   HD13  LEU   9          HD13      LEU   9  -3.066  -4.088   9.648
   61   HD21  LEU   9          HD21      LEU   9  -3.318  -0.638  11.075
   62   HD22  LEU   9          HD22      LEU   9  -4.350  -0.037   9.777
   63   HD23  LEU   9          HD23      LEU   9  -4.979  -1.212  10.932
   64    H    VAL  10           HN       VAL  10  -1.282  -3.430   5.391
   65    HA   VAL  10           HA       VAL  10  -4.066  -3.211   4.459
   66    HB   VAL  10           HB       VAL  10  -1.563  -3.187   2.770
   67   HG11  VAL  10          HG11      VAL  10  -3.067  -2.411   0.996
   68   HG12  VAL  10          HG12      VAL  10  -3.524  -4.008   1.588
   69   HG13  VAL  10          HG13      VAL  10  -4.439  -2.586   2.090
   70   HG21  VAL  10          HG21      VAL  10  -3.312  -0.877   3.610
   71   HG22  VAL  10          HG22      VAL  10  -1.688  -1.209   4.212
   72   HG23  VAL  10          HG23      VAL  10  -1.931  -0.792   2.516
   73    H    ASP  11           HN       ASP  11  -1.180  -5.039   3.385
   74    HA   ASP  11           HA       ASP  11  -2.596  -7.535   3.796
   75    HB2  ASP  11           HB2      ASP  11  -3.165  -6.616   1.460
   76    HB3  ASP  11           HB3      ASP  11  -1.487  -6.979   1.057
   77    H    CYS  12           HN       CYS  12  -0.187  -6.226   4.795
   78    HA   CYS  12           HA       CYS  12   1.483  -8.338   5.170
   79    HB2  CYS  12           HB2      CYS  12   3.420  -7.651   3.571
   80    HB3  CYS  12           HB3      CYS  12   2.114  -8.663   2.970
   81    H    GLY  13           HN       GLY  13   0.620  -6.032   6.532
   82    HA2  GLY  13           HA1      GLY  13   1.372  -4.353   7.910
   83    HA3  GLY  13           HA2      GLY  13   2.804  -5.356   8.047
   84    HA   PRO  14           HA       PRO  14   3.944  -1.357   5.919
   85    HB2  PRO  14           HB2      PRO  14   5.228  -0.085   7.887
   86    HB3  PRO  14           HB3      PRO  14   3.464  -0.046   7.773
   87    HG2  PRO  14           HG2      PRO  14   5.213  -1.690   9.555
   88    HG3  PRO  14           HG3      PRO  14   3.686  -0.872   9.929
   89    HD2  PRO  14           HD2      PRO  14   3.934  -3.565   9.343
   90    HD3  PRO  14           HD3      PRO  14   2.437  -2.629   9.182
   91    H    ASN  15           HN       ASN  15   5.185  -3.656   5.370
   92    HA   ASN  15           HA       ASN  15   8.028  -3.021   5.776
   93    HB2  ASN  15           HB2      ASN  15   6.800  -5.785   5.858
   94    HB3  ASN  15           HB3      ASN  15   8.525  -5.435   5.918
   95   HD21  ASN  15          HD21      ASN  15   9.407  -4.529   7.773
   96   HD22  ASN  15          HD22      ASN  15   8.566  -4.527   9.282
   97    H    ARG  16           HN       ARG  16   5.797  -5.044   3.863
   98    HA   ARG  16           HA       ARG  16   7.615  -4.938   1.597
   99    HB2  ARG  16           HB2      ARG  16   5.067  -6.434   2.161
  100    HB3  ARG  16           HB3      ARG  16   5.760  -6.382   0.544
  101    HG2  ARG  16           HG2      ARG  16   7.776  -7.436   1.312
  102    HG3  ARG  16           HG3      ARG  16   7.223  -7.359   2.986
  103    HD2  ARG  16           HD2      ARG  16   5.723  -8.835   0.835
  104    HD3  ARG  16           HD3      ARG  16   6.976  -9.593   1.816
  105    HE   ARG  16           HE       ARG  16   5.214  -8.433   3.592
  106   HH11  ARG  16          HH12      ARG  16   5.065 -10.866   1.095
  107   HH12  ARG  16          HH11      ARG  16   3.798 -11.759   1.864
  108   HH21  ARG  16          HH22      ARG  16   3.545  -9.609   4.608
  109   HH22  ARG  16          HH21      ARG  16   2.935 -11.045   3.858
  110    HA   PRO  17           HA       PRO  17   5.197  -1.397   0.157
  111    HB2  PRO  17           HB2      PRO  17   6.999  -0.476  -1.604
  112    HB3  PRO  17           HB3      PRO  17   7.212  -0.261   0.139
  113    HG2  PRO  17           HG2      PRO  17   8.457  -2.282  -1.686
  114    HG3  PRO  17           HG3      PRO  17   9.207  -1.335  -0.387
  115    HD2  PRO  17           HD2      PRO  17   8.399  -3.935  -0.099
  116    HD3  PRO  17           HD3      PRO  17   8.490  -2.777   1.242
  117    H    CYS  18           HN       CYS  18   4.099  -0.882  -1.763
  118    HA   CYS  18           HA       CYS  18   4.236  -2.930  -3.881
  119    HB2  CYS  18           HB2      CYS  18   1.788  -1.492  -2.839
  120    HB3  CYS  18           HB3      CYS  18   1.806  -2.606  -4.199
  121    H    ARG  19           HN       ARG  19   3.018  -2.070  -5.911
  122    HA   ARG  19           HA       ARG  19   4.304   0.447  -6.615
  123    HB2  ARG  19           HB2      ARG  19   2.844  -1.576  -8.322
  124    HB3  ARG  19           HB3      ARG  19   3.667  -0.148  -8.933
  125    HG2  ARG  19           HG2      ARG  19   4.971  -2.437  -7.474
  126    HG3  ARG  19           HG3      ARG  19   5.014  -2.158  -9.216
  127    HD2  ARG  19           HD2      ARG  19   6.160  -0.027  -8.842
  128    HD3  ARG  19           HD3      ARG  19   6.116  -0.310  -7.102
  129    HE   ARG  19           HE       ARG  19   7.373  -2.506  -8.181
  130   HH11  ARG  19          HH12      ARG  19   7.924   0.939  -8.137
  131   HH12  ARG  19          HH11      ARG  19   9.646   0.790  -8.240
  132   HH21  ARG  19          HH22      ARG  19   9.638  -2.704  -8.316
  133   HH22  ARG  19          HH21      ARG  19  10.620  -1.277  -8.342
  134    H    ASP  20           HN       ASP  20   3.259   2.323  -6.789
  135    HA   ASP  20           HA       ASP  20   0.379   2.362  -6.375
  136    HB2  ASP  20           HB2      ASP  20   2.387   4.622  -6.511
  137    HB3  ASP  20           HB3      ASP  20   0.683   4.802  -6.104
  138    H    THR  21           HN       THR  21  -1.093   2.807  -7.895
  139    HA   THR  21           HA       THR  21  -0.107   3.575 -10.562
  140    HB   THR  21           HB       THR  21  -2.660   2.098  -9.889
  141    HG1  THR  21           HG1      THR  21  -1.498   0.313 -10.852
  142   HG21  THR  21          HG21      THR  21  -2.767   1.680 -12.309
  143   HG22  THR  21          HG22      THR  21  -1.332   2.677 -12.540
  144   HG23  THR  21          HG23      THR  21  -2.824   3.406 -11.947
  145    H    GLY  22           HN       GLY  22  -2.341   4.348  -8.003
  146    HA2  GLY  22           HA1      GLY  22  -3.132   6.751  -9.520
  147    HA3  GLY  22           HA2      GLY  22  -4.341   5.793  -8.680
  148    H    PHE  23           HN       PHE  23  -5.020   7.229  -7.176
  149    HA   PHE  23           HA       PHE  23  -3.056   8.676  -5.568
  150    HB2  PHE  23           HB2      PHE  23  -5.360   9.444  -4.464
  151    HB3  PHE  23           HB3      PHE  23  -4.777  10.143  -5.973
  152    HD1  PHE  23           HD2      PHE  23  -7.150   7.766  -4.484
  153    HD2  PHE  23           HD1      PHE  23  -5.875   9.733  -8.034
  154    HE1  PHE  23           HE2      PHE  23  -9.183   6.999  -5.637
  155    HE2  PHE  23           HE1      PHE  23  -7.901   8.964  -9.194
  156    HZ   PHE  23           HZ       PHE  23  -9.545   7.591  -7.995
  157    H    SME  24           HN       SME  24  -2.096   7.305  -4.159
  158    HA   SME  24           HA       SME  24  -1.816   5.993  -2.323
  159    HB2  SME  24           HB2      SME  24  -4.667   6.736  -1.650
  160    HB3  SME  24           HB1      SME  24  -3.440   6.148  -0.536
  161    HG2  SME  24           HG2      SME  24  -2.113   8.194  -1.017
  162    HG3  SME  24           HG1      SME  24  -3.467   8.787  -1.975
  163    HE1  SME  24           HE1      SME  24  -3.479   6.771   1.438
  164    HE2  SME  24           HE2      SME  24  -3.737   8.075   2.597
  165    HE3  SME  24           HE3      SME  24  -2.211   7.963   1.721
  166    H    SER  25           HN       SER  25  -1.706   4.160  -3.745
  167    HA   SER  25           HA       SER  25  -3.740   2.186  -3.129
  168    HB2  SER  25           HB2      SER  25  -4.009   1.504  -5.491
  169    HB3  SER  25           HB3      SER  25  -4.580   3.152  -5.220
  170    HG   SER  25           HG       SER  25  -2.600   3.898  -6.076
  171    H    CYS  26           HN       CYS  26  -2.472   0.709  -2.197
  172    HA   CYS  26           HA       CYS  26   0.111   0.091  -3.447
  173    HB2  CYS  26           HB2      CYS  26   0.805  -0.805  -1.303
  174    HB3  CYS  26           HB3      CYS  26   0.178   0.825  -1.088
  175    H    ASP  27           HN       ASP  27  -0.060  -1.528  -4.836
  176    HA   ASP  27           HA       ASP  27  -1.440  -3.972  -3.950
  177    HB2  ASP  27           HB2      ASP  27  -2.864  -2.803  -5.583
  178    HB3  ASP  27           HB3      ASP  27  -1.538  -2.804  -6.741
  179    H    CYS  28           HN       CYS  28   0.175  -5.362  -3.607
  180    HA   CYS  28           HA       CYS  28   2.525  -5.349  -5.321
  181    HB2  CYS  28           HB2      CYS  28   1.827  -6.831  -2.789
  182    HB3  CYS  28           HB3      CYS  28   3.282  -7.178  -3.715
  Start of MODEL   22
    1    H1   PHE   1           H1       PHE   1  -9.962   0.008  -0.629
    2    H2   PHE   1           H2       PHE   1  -8.597   0.223  -1.605
    3    H3   PHE   1           H3       PHE   1  -9.600   1.539  -1.252
    4    HA   PHE   1           HA       PHE   1  -9.015   1.433   1.065
    5    HB2  PHE   1           HB2      PHE   1  -7.175  -0.092   1.760
    6    HB3  PHE   1           HB3      PHE   1  -8.633  -0.947   1.270
    7    HD1  PHE   1           HD1      PHE   1  -5.356   0.204  -0.059
    8    HD2  PHE   1           HD2      PHE   1  -8.485  -2.671  -0.258
    9    HE1  PHE   1           HE1      PHE   1  -4.031  -1.119  -1.656
   10    HE2  PHE   1           HE2      PHE   1  -7.168  -4.001  -1.855
   11    HZ   PHE   1           HZ       PHE   1  -4.937  -3.225  -2.556
   12    H    PHE   2           HN       PHE   2  -7.517   2.902   1.714
   13    HA   PHE   2           HA       PHE   2  -5.796   3.991  -0.365
   14    HB2  PHE   2           HB2      PHE   2  -6.378   5.034   2.415
   15    HB3  PHE   2           HB3      PHE   2  -5.526   5.901   1.141
   16    HD1  PHE   2           HD2      PHE   2  -8.798   4.401   2.024
   17    HD2  PHE   2           HD1      PHE   2  -6.698   7.177  -0.422
   18    HE1  PHE   2           HE2      PHE   2 -10.940   5.306   1.220
   19    HE2  PHE   2           HE1      PHE   2  -8.836   8.089  -1.230
   20    HZ   PHE   2           HZ       PHE   2 -10.960   7.153  -0.409
   21    H    CYS   3           HN       CYS   3  -3.583   4.168  -0.237
   22    HA   CYS   3           HA       CYS   3  -2.265   2.875   2.049
   23    HB2  CYS   3           HB2      CYS   3  -1.533   2.468  -0.856
   24    HB3  CYS   3           HB3      CYS   3  -0.690   1.779   0.527
   25    HA   PRO   4           HA       PRO   4  -0.031   6.755   1.563
   26    HB2  PRO   4           HB2      PRO   4   0.765   7.014   4.094
   27    HB3  PRO   4           HB3      PRO   4  -0.928   7.243   3.642
   28    HG2  PRO   4           HG2      PRO   4   0.383   4.913   4.961
   29    HG3  PRO   4           HG3      PRO   4  -1.223   5.604   5.240
   30    HD2  PRO   4           HD2      PRO   4  -0.647   3.356   3.672
   31    HD3  PRO   4           HD3      PRO   4  -2.161   4.280   3.650
   32    H    PHE   5           HN       PHE   5   1.216   3.725   2.816
   33    HA   PHE   5           HA       PHE   5   3.884   4.505   1.867
   34    HB2  PHE   5           HB2      PHE   5   3.475   2.938   4.412
   35    HB3  PHE   5           HB3      PHE   5   4.975   3.621   3.796
   36    HD1  PHE   5           HD2      PHE   5   5.094   6.181   3.602
   37    HD2  PHE   5           HD1      PHE   5   2.185   4.121   5.927
   38    HE1  PHE   5           HE2      PHE   5   4.696   8.227   4.911
   39    HE2  PHE   5           HE1      PHE   5   1.780   6.163   7.237
   40    HZ   PHE   5           HZ       PHE   5   3.036   8.218   6.730
   41    H    GLY   6           HN       GLY   6   1.739   2.840   0.725
   42    HA2  GLY   6           HA1      GLY   6   1.948   1.007  -0.719
   43    HA3  GLY   6           HA2      GLY   6   3.399   0.521   0.143
   44    H    CYS   7           HN       CYS   7   3.191  -1.344   1.162
   45    HA   CYS   7           HA       CYS   7   0.557  -2.384   1.786
   46    HB2  CYS   7           HB2      CYS   7   2.282  -3.809   0.721
   47    HB3  CYS   7           HB3      CYS   7   3.283  -3.644   2.158
   48    H    ALA   8           HN       ALA   8   1.374  -0.119   3.350
   49    HA   ALA   8           HA       ALA   8   2.320  -0.960   5.899
   50    HB1  ALA   8           HB1      ALA   8   2.597   1.336   5.137
   51    HB2  ALA   8           HB2      ALA   8   0.846   1.554   5.120
   52    HB3  ALA   8           HB3      ALA   8   1.688   1.283   6.647
   53    H    LEU   9           HN       LEU   9   1.102  -2.579   6.766
   54    HA   LEU   9           HA       LEU   9  -0.627  -3.605   7.834
   55    HB2  LEU   9           HB2      LEU   9  -1.580  -0.766   8.218
   56    HB3  LEU   9           HB3      LEU   9  -2.171  -2.163   9.096
   57    HG   LEU   9           HG       LEU   9   0.628  -1.040   9.228
   58   HD11  LEU   9          HD11      LEU   9  -1.605  -1.077  11.253
   59   HD12  LEU   9          HD12      LEU   9   0.034  -0.492  11.535
   60   HD13  LEU   9          HD13      LEU   9  -1.012   0.337  10.382
   61   HD21  LEU   9          HD21      LEU   9  -0.608  -3.369  10.691
   62   HD22  LEU   9          HD22      LEU   9   0.634  -3.468   9.444
   63   HD23  LEU   9          HD23      LEU   9   0.994  -2.696  10.989
   64    H    VAL  10           HN       VAL  10  -0.815  -3.107   4.964
   65    HA   VAL  10           HA       VAL  10  -3.715  -2.834   4.597
   66    HB   VAL  10           HB       VAL  10  -1.571  -2.840   2.471
   67   HG11  VAL  10          HG11      VAL  10  -4.490  -2.086   2.376
   68   HG12  VAL  10          HG12      VAL  10  -3.343  -1.899   1.051
   69   HG13  VAL  10          HG13      VAL  10  -3.752  -3.509   1.641
   70   HG21  VAL  10          HG21      VAL  10  -1.310  -0.929   3.979
   71   HG22  VAL  10          HG22      VAL  10  -1.861  -0.420   2.383
   72   HG23  VAL  10          HG23      VAL  10  -3.001  -0.497   3.725
   73    H    ASP  11           HN       ASP  11  -0.999  -4.879   3.481
   74    HA   ASP  11           HA       ASP  11  -2.733  -7.197   3.642
   75    HB2  ASP  11           HB2      ASP  11  -3.067  -6.272   1.343
   76    HB3  ASP  11           HB3      ASP  11  -1.348  -6.512   1.043
   77    H    CYS  12           HN       CYS  12  -0.352  -6.295   5.015
   78    HA   CYS  12           HA       CYS  12   1.023  -8.667   5.304
   79    HB2  CYS  12           HB2      CYS  12   3.071  -8.442   4.096
   80    HB3  CYS  12           HB3      CYS  12   1.770  -8.214   2.940
   81    H    GLY  13           HN       GLY  13   1.483  -5.162   5.198
   82    HA2  GLY  13           HA1      GLY  13   1.695  -4.230   7.554
   83    HA3  GLY  13           HA2      GLY  13   3.042  -5.352   7.697
   84    HA   PRO  14           HA       PRO  14   4.275  -1.177   5.693
   85    HB2  PRO  14           HB2      PRO  14   5.375   0.081   7.830
   86    HB3  PRO  14           HB3      PRO  14   3.674   0.260   7.380
   87    HG2  PRO  14           HG2      PRO  14   4.907  -1.485   9.480
   88    HG3  PRO  14           HG3      PRO  14   3.442  -0.490   9.571
   89    HD2  PRO  14           HD2      PRO  14   3.364  -3.167   9.158
   90    HD3  PRO  14           HD3      PRO  14   2.156  -2.059   8.477
   91    H    ASN  15           HN       ASN  15   5.554  -3.457   5.300
   92    HA   ASN  15           HA       ASN  15   8.339  -2.744   5.697
   93    HB2  ASN  15           HB2      ASN  15   7.143  -5.321   6.721
   94    HB3  ASN  15           HB3      ASN  15   8.866  -5.122   6.421
   95   HD21  ASN  15          HD21      ASN  15   7.324  -5.607   8.898
   96   HD22  ASN  15          HD22      ASN  15   7.802  -4.351   9.984
   97    H    ARG  16           HN       ARG  16   6.294  -3.106   3.489
   98    HA   ARG  16           HA       ARG  16   8.036  -4.674   1.745
   99    HB2  ARG  16           HB2      ARG  16   5.056  -5.130   1.987
  100    HB3  ARG  16           HB3      ARG  16   6.075  -5.817   0.728
  101    HG2  ARG  16           HG2      ARG  16   6.393  -6.327   3.679
  102    HG3  ARG  16           HG3      ARG  16   5.592  -7.407   2.536
  103    HD2  ARG  16           HD2      ARG  16   7.668  -7.651   1.288
  104    HD3  ARG  16           HD3      ARG  16   8.474  -6.529   2.383
  105    HE   ARG  16           HE       ARG  16   7.336  -8.739   3.776
  106   HH11  ARG  16          HH12      ARG  16  10.074  -7.765   1.844
  107   HH12  ARG  16          HH11      ARG  16  11.137  -8.948   2.529
  108   HH21  ARG  16          HH22      ARG  16   8.733 -10.295   4.678
  109   HH22  ARG  16          HH21      ARG  16  10.376 -10.385   4.138
  110    HA   PRO  17           HA       PRO  17   7.077  -1.228  -0.901
  111    HB2  PRO  17           HB2      PRO  17   8.434  -1.980  -3.080
  112    HB3  PRO  17           HB3      PRO  17   9.272  -1.528  -1.590
  113    HG2  PRO  17           HG2      PRO  17   8.680  -4.250  -2.680
  114    HG3  PRO  17           HG3      PRO  17  10.160  -3.650  -1.913
  115    HD2  PRO  17           HD2      PRO  17   8.233  -5.135  -0.622
  116    HD3  PRO  17           HD3      PRO  17   9.363  -4.037   0.192
  117    H    CYS  18           HN       CYS  18   5.052  -1.020  -1.659
  118    HA   CYS  18           HA       CYS  18   3.919  -3.127  -3.349
  119    HB2  CYS  18           HB2      CYS  18   2.825  -1.677  -1.286
  120    HB3  CYS  18           HB3      CYS  18   2.208  -0.831  -2.701
  121    H    ARG  19           HN       ARG  19   2.395  -2.229  -5.119
  122    HA   ARG  19           HA       ARG  19   3.976  -0.345  -6.717
  123    HB2  ARG  19           HB2      ARG  19   1.818  -2.292  -7.548
  124    HB3  ARG  19           HB3      ARG  19   2.703  -1.239  -8.642
  125    HG2  ARG  19           HG2      ARG  19   3.902  -3.421  -6.949
  126    HG3  ARG  19           HG3      ARG  19   3.576  -3.511  -8.681
  127    HD2  ARG  19           HD2      ARG  19   5.125  -1.644  -9.056
  128    HD3  ARG  19           HD3      ARG  19   5.465  -1.589  -7.327
  129    HE   ARG  19           HE       ARG  19   5.972  -4.182  -8.251
  130   HH11  ARG  19          HH12      ARG  19   7.251  -0.951  -8.575
  131   HH12  ARG  19          HH11      ARG  19   8.870  -1.487  -8.872
  132   HH21  ARG  19          HH22      ARG  19   8.103  -4.890  -8.640
  133   HH22  ARG  19          HH21      ARG  19   9.354  -3.724  -8.908
  134    H    ASP  20           HN       ASP  20   3.328   1.696  -6.486
  135    HA   ASP  20           HA       ASP  20   0.496   2.295  -6.101
  136    HB2  ASP  20           HB2      ASP  20   2.922   4.101  -5.994
  137    HB3  ASP  20           HB3      ASP  20   1.273   4.589  -5.617
  138    H    THR  21           HN       THR  21  -0.613   2.340  -7.960
  139    HA   THR  21           HA       THR  21   0.616   3.456 -10.362
  140    HB   THR  21           HB       THR  21  -2.085   2.131 -10.046
  141    HG1  THR  21           HG1      THR  21  -1.011   0.313 -10.937
  142   HG21  THR  21          HG21      THR  21  -0.475   2.796 -12.514
  143   HG22  THR  21          HG22      THR  21  -1.955   3.603 -11.996
  144   HG23  THR  21          HG23      THR  21  -1.998   1.910 -12.488
  145    H    GLY  22           HN       GLY  22  -1.838   4.187  -7.990
  146    HA2  GLY  22           HA1      GLY  22  -2.285   6.761  -9.361
  147    HA3  GLY  22           HA2      GLY  22  -3.641   5.835  -8.736
  148    H    PHE  23           HN       PHE  23  -4.271   7.525  -7.372
  149    HA   PHE  23           HA       PHE  23  -2.402   8.411  -5.309
  150    HB2  PHE  23           HB2      PHE  23  -4.635   9.685  -4.617
  151    HB3  PHE  23           HB3      PHE  23  -3.619  10.255  -5.940
  152    HD1  PHE  23           HD1      PHE  23  -6.717   8.466  -5.091
  153    HD2  PHE  23           HD2      PHE  23  -4.357  10.182  -8.187
  154    HE1  PHE  23           HE1      PHE  23  -8.599   8.223  -6.658
  155    HE2  PHE  23           HE2      PHE  23  -6.235   9.950  -9.755
  156    HZ   PHE  23           HZ       PHE  23  -8.346   8.959  -8.989
  157    H    SME  24           HN       SME  24  -2.168   7.257  -3.520
  158    HA   SME  24           HA       SME  24  -2.570   5.843  -1.784
  159    HB2  SME  24           HB2      SME  24  -5.256   7.195  -2.016
  160    HB3  SME  24           HB1      SME  24  -4.855   6.084  -0.714
  161    HG2  SME  24           HG2      SME  24  -4.509   8.243   0.140
  162    HG3  SME  24           HG1      SME  24  -2.906   7.586  -0.187
  163    HE1  SME  24           HE1      SME  24  -4.952  10.788  -2.842
  164    HE2  SME  24           HE2      SME  24  -5.655  10.186  -1.340
  165    HE3  SME  24           HE3      SME  24  -5.551   9.133  -2.751
  166    H    SER  25           HN       SER  25  -2.382   4.310  -3.792
  167    HA   SER  25           HA       SER  25  -4.444   2.301  -3.437
  168    HB2  SER  25           HB2      SER  25  -5.297   3.586  -5.345
  169    HB3  SER  25           HB3      SER  25  -3.754   3.397  -6.177
  170    HG   SER  25           HG       SER  25  -4.137   1.117  -6.132
  171    H    CYS  26           HN       CYS  26  -2.810   1.109  -2.441
  172    HA   CYS  26           HA       CYS  26  -0.418   0.473  -3.964
  173    HB2  CYS  26           HB2      CYS  26   0.393  -0.596  -1.966
  174    HB3  CYS  26           HB3      CYS  26  -0.285   0.964  -1.526
  175    H    ASP  27           HN       ASP  27  -0.372  -1.155  -5.327
  176    HA   ASP  27           HA       ASP  27  -2.131  -3.470  -4.832
  177    HB2  ASP  27           HB2      ASP  27  -1.161  -2.378  -7.484
  178    HB3  ASP  27           HB3      ASP  27  -2.150  -3.821  -7.278
  179    H    CYS  28           HN       CYS  28  -0.772  -4.848  -3.805
  180    HA   CYS  28           HA       CYS  28   1.917  -5.280  -4.827
  181    HB2  CYS  28           HB2      CYS  28   0.429  -6.220  -2.389
  182    HB3  CYS  28           HB3      CYS  28   1.949  -6.967  -2.866
  Start of MODEL   23
    1    H1   PHE   1           H1       PHE   1  -9.440  -0.831  -1.500
    2    H2   PHE   1           H2       PHE   1  -7.943  -0.514  -2.221
    3    H3   PHE   1           H3       PHE   1  -9.127   0.692  -2.170
    4    HA   PHE   1           HA       PHE   1  -8.996   0.793   0.217
    5    HB2  PHE   1           HB2      PHE   1  -7.195  -0.454   1.376
    6    HB3  PHE   1           HB3      PHE   1  -8.396  -1.521   0.658
    7    HD1  PHE   1           HD1      PHE   1  -4.952  -0.291   0.441
    8    HD2  PHE   1           HD2      PHE   1  -7.836  -2.979  -1.161
    9    HE1  PHE   1           HE1      PHE   1  -3.165  -1.494  -0.746
   10    HE2  PHE   1           HE2      PHE   1  -6.054  -4.188  -2.350
   11    HZ   PHE   1           HZ       PHE   1  -3.714  -3.447  -2.144
   12    H    PHE   2           HN       PHE   2  -7.845   2.487   0.987
   13    HA   PHE   2           HA       PHE   2  -5.943   3.704  -0.823
   14    HB2  PHE   2           HB2      PHE   2  -6.057   5.613   0.790
   15    HB3  PHE   2           HB3      PHE   2  -7.620   5.141   0.133
   16    HD1  PHE   2           HD1      PHE   2  -5.477   5.095   3.118
   17    HD2  PHE   2           HD2      PHE   2  -9.333   4.247   1.528
   18    HE1  PHE   2           HE1      PHE   2  -6.362   4.852   5.401
   19    HE2  PHE   2           HE2      PHE   2 -10.224   4.004   3.808
   20    HZ   PHE   2           HZ       PHE   2  -8.738   4.306   5.749
   21    H    CYS   3           HN       CYS   3  -3.806   3.594  -0.648
   22    HA   CYS   3           HA       CYS   3  -2.645   2.358   1.729
   23    HB2  CYS   3           HB2      CYS   3  -0.628   2.093   0.382
   24    HB3  CYS   3           HB3      CYS   3  -2.027   1.465  -0.482
   25    HA   PRO   4           HA       PRO   4  -1.273   6.468   2.903
   26    HB2  PRO   4           HB2      PRO   4  -0.635   5.927   5.436
   27    HB3  PRO   4           HB3      PRO   4  -2.322   5.947   4.907
   28    HG2  PRO   4           HG2      PRO   4  -0.530   3.625   5.442
   29    HG3  PRO   4           HG3      PRO   4  -2.259   3.810   5.778
   30    HD2  PRO   4           HD2      PRO   4  -1.153   2.476   3.584
   31    HD3  PRO   4           HD3      PRO   4  -2.835   3.025   3.722
   32    H    PHE   5           HN       PHE   5   0.586   3.506   3.272
   33    HA   PHE   5           HA       PHE   5   3.018   4.940   2.587
   34    HB2  PHE   5           HB2      PHE   5   3.184   3.103   4.949
   35    HB3  PHE   5           HB3      PHE   5   4.254   4.422   4.486
   36    HD1  PHE   5           HD1      PHE   5   3.526   6.778   4.860
   37    HD2  PHE   5           HD2      PHE   5   1.355   3.452   6.387
   38    HE1  PHE   5           HE1      PHE   5   2.361   8.266   6.437
   39    HE2  PHE   5           HE2      PHE   5   0.187   4.931   7.966
   40    HZ   PHE   5           HZ       PHE   5   0.687   7.341   7.990
   41    H    GLY   6           HN       GLY   6   1.261   2.928   1.355
   42    HA2  GLY   6           HA1      GLY   6   1.977   1.313  -0.240
   43    HA3  GLY   6           HA2      GLY   6   3.340   0.929   0.805
   44    H    CYS   7           HN       CYS   7   3.208  -0.982   1.759
   45    HA   CYS   7           HA       CYS   7   0.624  -2.309   1.970
   46    HB2  CYS   7           HB2      CYS   7   2.643  -3.485   1.065
   47    HB3  CYS   7           HB3      CYS   7   3.365  -3.382   2.661
   48    H    ALA   8           HN       ALA   8   1.795  -0.058   3.794
   49    HA   ALA   8           HA       ALA   8   2.197  -1.072   6.362
   50    HB1  ALA   8           HB1      ALA   8   1.735   1.155   7.158
   51    HB2  ALA   8           HB2      ALA   8   2.659   1.257   5.661
   52    HB3  ALA   8           HB3      ALA   8   0.923   1.566   5.648
   53    H    LEU   9           HN       LEU   9   0.865  -2.328   7.481
   54    HA   LEU   9           HA       LEU   9  -1.032  -3.304   8.283
   55    HB2  LEU   9           HB2      LEU   9  -1.796  -0.397   8.309
   56    HB3  LEU   9           HB3      LEU   9  -2.797  -1.653   9.015
   57    HG   LEU   9           HG       LEU   9  -1.558  -0.675  10.780
   58   HD11  LEU   9          HD11      LEU   9  -0.302  -2.541  11.655
   59   HD12  LEU   9          HD12      LEU   9  -1.754  -3.121  10.839
   60   HD13  LEU   9          HD13      LEU   9  -0.184  -3.249  10.044
   61   HD21  LEU   9          HD21      LEU   9   0.182   0.366   9.361
   62   HD22  LEU   9          HD22      LEU   9   0.833  -0.422  10.798
   63   HD23  LEU   9          HD23      LEU   9   0.965  -1.209   9.226
   64    H    VAL  10           HN       VAL  10  -0.799  -3.007   5.354
   65    HA   VAL  10           HA       VAL  10  -3.601  -2.756   4.545
   66    HB   VAL  10           HB       VAL  10  -1.144  -3.067   2.815
   67   HG11  VAL  10          HG11      VAL  10  -3.979  -2.341   2.085
   68   HG12  VAL  10          HG12      VAL  10  -2.606  -2.400   0.980
   69   HG13  VAL  10          HG13      VAL  10  -3.186  -3.879   1.745
   70   HG21  VAL  10          HG21      VAL  10  -0.953  -0.966   3.865
   71   HG22  VAL  10          HG22      VAL  10  -1.644  -0.639   2.277
   72   HG23  VAL  10          HG23      VAL  10  -2.679  -0.641   3.704
   73    H    ASP  11           HN       ASP  11  -0.929  -4.925   3.572
   74    HA   ASP  11           HA       ASP  11  -2.587  -7.230   4.155
   75    HB2  ASP  11           HB2      ASP  11  -3.209  -6.540   1.836
   76    HB3  ASP  11           HB3      ASP  11  -1.530  -6.776   1.358
   77    H    CYS  12           HN       CYS  12  -0.088  -6.170   5.147
   78    HA   CYS  12           HA       CYS  12   1.376  -8.484   5.488
   79    HB2  CYS  12           HB2      CYS  12   3.201  -8.415   3.998
   80    HB3  CYS  12           HB3      CYS  12   1.798  -8.128   2.982
   81    H    GLY  13           HN       GLY  13   1.531  -4.994   5.154
   82    HA2  GLY  13           HA1      GLY  13   2.064  -3.790   7.252
   83    HA3  GLY  13           HA2      GLY  13   3.401  -4.915   7.439
   84    HA   PRO  14           HA       PRO  14   4.671  -1.108   4.905
   85    HB2  PRO  14           HB2      PRO  14   5.992   0.335   6.750
   86    HB3  PRO  14           HB3      PRO  14   4.241   0.474   6.538
   87    HG2  PRO  14           HG2      PRO  14   5.780  -1.096   8.576
   88    HG3  PRO  14           HG3      PRO  14   4.358  -0.061   8.808
   89    HD2  PRO  14           HD2      PRO  14   4.207  -2.772   8.624
   90    HD3  PRO  14           HD3      PRO  14   2.902  -1.693   8.093
   91    H    ASN  15           HN       ASN  15   5.861  -3.288   4.381
   92    HA   ASN  15           HA       ASN  15   8.694  -2.755   4.732
   93    HB2  ASN  15           HB2      ASN  15   8.217  -4.207   6.626
   94    HB3  ASN  15           HB3      ASN  15   7.451  -5.383   5.565
   95   HD21  ASN  15          HD21      ASN  15  10.399  -3.609   4.843
   96   HD22  ASN  15          HD22      ASN  15  11.445  -4.981   4.860
   97    H    ARG  16           HN       ARG  16   6.143  -4.633   3.188
   98    HA   ARG  16           HA       ARG  16   7.951  -5.593   1.126
   99    HB2  ARG  16           HB2      ARG  16   4.956  -5.940   1.258
  100    HB3  ARG  16           HB3      ARG  16   6.102  -6.883   0.317
  101    HG2  ARG  16           HG2      ARG  16   6.164  -6.818   3.316
  102    HG3  ARG  16           HG3      ARG  16   5.172  -7.962   2.410
  103    HD2  ARG  16           HD2      ARG  16   7.232  -9.041   2.966
  104    HD3  ARG  16           HD3      ARG  16   7.237  -8.712   1.235
  105    HE   ARG  16           HE       ARG  16   8.495  -6.623   2.698
  106   HH11  ARG  16          HH12      ARG  16   8.994  -9.858   1.488
  107   HH12  ARG  16          HH11      ARG  16  10.714  -9.689   1.384
  108   HH21  ARG  16          HH22      ARG  16  10.758  -6.398   2.561
  109   HH22  ARG  16          HH21      ARG  16  11.717  -7.725   1.993
  110    HA   PRO  17           HA       PRO  17   7.253  -2.020  -1.449
  111    HB2  PRO  17           HB2      PRO  17   7.980  -3.889  -3.638
  112    HB3  PRO  17           HB3      PRO  17   8.687  -2.326  -3.212
  113    HG2  PRO  17           HG2      PRO  17   9.973  -4.605  -2.688
  114    HG3  PRO  17           HG3      PRO  17  10.034  -3.236  -1.563
  115    HD2  PRO  17           HD2      PRO  17   8.448  -5.764  -1.391
  116    HD3  PRO  17           HD3      PRO  17   9.264  -4.853  -0.105
  117    H    CYS  18           HN       CYS  18   5.913  -1.412  -3.305
  118    HA   CYS  18           HA       CYS  18   3.905  -3.351  -4.143
  119    HB2  CYS  18           HB2      CYS  18   3.089  -0.730  -2.882
  120    HB3  CYS  18           HB3      CYS  18   2.025  -2.011  -3.453
  121    H    ARG  19           HN       ARG  19   2.291  -2.194  -5.678
  122    HA   ARG  19           HA       ARG  19   3.905  -0.621  -7.552
  123    HB2  ARG  19           HB2      ARG  19   1.293  -2.079  -7.994
  124    HB3  ARG  19           HB3      ARG  19   2.233  -1.260  -9.233
  125    HG2  ARG  19           HG2      ARG  19   3.153  -3.636  -7.628
  126    HG3  ARG  19           HG3      ARG  19   2.551  -3.682  -9.286
  127    HD2  ARG  19           HD2      ARG  19   4.993  -2.188  -8.336
  128    HD3  ARG  19           HD3      ARG  19   5.000  -3.724  -9.200
  129    HE   ARG  19           HE       ARG  19   3.591  -1.724 -10.649
  130   HH11  ARG  19          HH12      ARG  19   6.801  -2.833  -9.850
  131   HH12  ARG  19          HH11      ARG  19   7.520  -2.179 -11.283
  132   HH21  ARG  19          HH22      ARG  19   4.534  -0.863 -12.536
  133   HH22  ARG  19          HH21      ARG  19   6.233  -1.060 -12.808
  134    H    ASP  20           HN       ASP  20   3.716   1.465  -6.854
  135    HA   ASP  20           HA       ASP  20   1.085   2.556  -6.253
  136    HB2  ASP  20           HB2      ASP  20   2.983   3.173  -4.818
  137    HB3  ASP  20           HB3      ASP  20   3.816   3.863  -6.207
  138    H    THR  21           HN       THR  21   0.069   2.525  -8.260
  139    HA   THR  21           HA       THR  21   1.294   3.939 -10.488
  140    HB   THR  21           HB       THR  21  -1.419   2.607 -10.340
  141    HG1  THR  21           HG1      THR  21  -0.268   0.942 -11.552
  142   HG21  THR  21          HG21      THR  21   0.228   3.539 -12.695
  143   HG22  THR  21          HG22      THR  21  -1.274   4.263 -12.123
  144   HG23  THR  21          HG23      THR  21  -1.282   2.635 -12.800
  145    H    GLY  22           HN       GLY  22  -1.132   4.432  -8.040
  146    HA2  GLY  22           HA1      GLY  22  -1.509   7.164  -9.062
  147    HA3  GLY  22           HA2      GLY  22  -2.921   6.186  -8.691
  148    H    PHE  23           HN       PHE  23  -3.357   8.054  -7.249
  149    HA   PHE  23           HA       PHE  23  -1.721   8.158  -4.833
  150    HB2  PHE  23           HB2      PHE  23  -3.681   9.875  -4.259
  151    HB3  PHE  23           HB3      PHE  23  -2.327  10.321  -5.294
  152    HD1  PHE  23           HD1      PHE  23  -5.868   9.349  -5.235
  153    HD2  PHE  23           HD2      PHE  23  -2.618  10.717  -7.615
  154    HE1  PHE  23           HE1      PHE  23  -7.423   9.824  -7.082
  155    HE2  PHE  23           HE2      PHE  23  -4.166  11.200  -9.462
  156    HZ   PHE  23           HZ       PHE  23  -6.563  10.740  -9.194
  157    H    SME  24           HN       SME  24  -2.084   6.794  -3.231
  158    HA   SME  24           HA       SME  24  -3.137   5.521  -1.665
  159    HB2  SME  24           HB2      SME  24  -5.708   6.830  -2.556
  160    HB3  SME  24           HB1      SME  24  -5.391   6.045  -1.016
  161    HG2  SME  24           HG2      SME  24  -4.197   8.617  -2.016
  162    HG3  SME  24           HG1      SME  24  -5.375   8.423  -0.720
  163    HE1  SME  24           HE1      SME  24  -4.754   7.103   1.617
  164    HE2  SME  24           HE2      SME  24  -3.126   6.539   1.988
  165    HE3  SME  24           HE3      SME  24  -4.072   5.738   0.734
  166    H    SER  25           HN       SER  25  -2.565   4.259  -3.975
  167    HA   SER  25           HA       SER  25  -4.674   2.273  -4.115
  168    HB2  SER  25           HB2      SER  25  -3.670   3.687  -6.600
  169    HB3  SER  25           HB3      SER  25  -4.727   2.276  -6.588
  170    HG   SER  25           HG       SER  25  -5.300   4.848  -5.533
  171    H    CYS  26           HN       CYS  26  -2.597   1.601  -2.849
  172    HA   CYS  26           HA       CYS  26  -0.506   0.601  -4.621
  173    HB2  CYS  26           HB2      CYS  26  -0.701   0.494  -1.607
  174    HB3  CYS  26           HB3      CYS  26   0.710   0.072  -2.571
  175    H    ASP  27           HN       ASP  27  -0.883  -1.288  -5.564
  176    HA   ASP  27           HA       ASP  27  -2.511  -3.303  -4.217
  177    HB2  ASP  27           HB2      ASP  27  -2.980  -2.799  -6.585
  178    HB3  ASP  27           HB3      ASP  27  -1.339  -3.276  -7.010
  179    H    CYS  28           HN       CYS  28  -1.126  -4.025  -2.611
  180    HA   CYS  28           HA       CYS  28   1.495  -5.048  -3.351
  181    HB2  CYS  28           HB2      CYS  28   0.224  -5.219  -0.625
  182    HB3  CYS  28           HB3      CYS  28   1.938  -5.221  -1.035
  Start of MODEL   24
    1    H1   PHE   1           H1       PHE   1  -9.681  -0.784   0.114
    2    H2   PHE   1           H2       PHE   1  -8.508  -0.488  -1.069
    3    H3   PHE   1           H3       PHE   1  -9.524   0.763  -0.555
    4    HA   PHE   1           HA       PHE   1  -8.568   0.711   1.638
    5    HB2  PHE   1           HB2      PHE   1  -6.564  -0.690   2.043
    6    HB3  PHE   1           HB3      PHE   1  -8.006  -1.654   1.740
    7    HD1  PHE   1           HD1      PHE   1  -4.865  -0.427   0.245
    8    HD2  PHE   1           HD2      PHE   1  -8.117  -3.153  -0.074
    9    HE1  PHE   1           HE1      PHE   1  -3.680  -1.626  -1.545
   10    HE2  PHE   1           HE2      PHE   1  -6.936  -4.359  -1.865
   11    HZ   PHE   1           HZ       PHE   1  -4.714  -3.596  -2.603
   12    H    PHE   2           HN       PHE   2  -7.268   2.411   1.939
   13    HA   PHE   2           HA       PHE   2  -5.838   3.464  -0.365
   14    HB2  PHE   2           HB2      PHE   2  -5.597   5.499   1.044
   15    HB3  PHE   2           HB3      PHE   2  -7.271   4.997   0.845
   16    HD1  PHE   2           HD1      PHE   2  -4.467   5.260   3.186
   17    HD2  PHE   2           HD2      PHE   2  -8.557   4.187   2.703
   18    HE1  PHE   2           HE1      PHE   2  -4.746   5.239   5.631
   19    HE2  PHE   2           HE2      PHE   2  -8.844   4.164   5.146
   20    HZ   PHE   2           HZ       PHE   2  -6.937   4.692   6.613
   21    H    CYS   3           HN       CYS   3  -3.660   4.099  -0.325
   22    HA   CYS   3           HA       CYS   3  -2.024   2.678   1.670
   23    HB2  CYS   3           HB2      CYS   3  -1.713   1.727  -0.510
   24    HB3  CYS   3           HB3      CYS   3  -1.486   3.315  -1.232
   25    HA   PRO   4           HA       PRO   4  -0.768   6.933   2.529
   26    HB2  PRO   4           HB2      PRO   4   0.023   6.554   5.051
   27    HB3  PRO   4           HB3      PRO   4  -1.692   6.564   4.623
   28    HG2  PRO   4           HG2      PRO   4   0.108   4.251   5.187
   29    HG3  PRO   4           HG3      PRO   4  -1.589   4.489   5.637
   30    HD2  PRO   4           HD2      PRO   4  -0.691   2.983   3.477
   31    HD3  PRO   4           HD3      PRO   4  -2.335   3.621   3.669
   32    H    PHE   5           HN       PHE   5   1.081   3.993   2.704
   33    HA   PHE   5           HA       PHE   5   3.511   5.497   2.099
   34    HB2  PHE   5           HB2      PHE   5   3.566   3.293   4.155
   35    HB3  PHE   5           HB3      PHE   5   4.837   4.445   3.762
   36    HD1  PHE   5           HD1      PHE   5   4.382   6.914   4.279
   37    HD2  PHE   5           HD2      PHE   5   2.093   3.710   5.892
   38    HE1  PHE   5           HE1      PHE   5   3.593   8.390   6.083
   39    HE2  PHE   5           HE2      PHE   5   1.298   5.179   7.697
   40    HZ   PHE   5           HZ       PHE   5   2.047   7.522   7.794
   41    H    GLY   6           HN       GLY   6   2.398   2.168   2.746
   42    HA2  GLY   6           HA1      GLY   6   2.926   1.353   0.042
   43    HA3  GLY   6           HA2      GLY   6   4.123   0.748   1.177
   44    H    CYS   7           HN       CYS   7   3.720  -1.156   2.084
   45    HA   CYS   7           HA       CYS   7   1.083  -2.343   1.749
   46    HB2  CYS   7           HB2      CYS   7   3.113  -3.620   1.135
   47    HB3  CYS   7           HB3      CYS   7   3.644  -3.560   2.809
   48    H    ALA   8           HN       ALA   8   1.857  -0.212   3.824
   49    HA   ALA   8           HA       ALA   8   1.713  -1.418   6.380
   50    HB1  ALA   8           HB1      ALA   8   2.578   0.881   5.884
   51    HB2  ALA   8           HB2      ALA   8   0.905   1.396   5.678
   52    HB3  ALA   8           HB3      ALA   8   1.454   0.788   7.240
   53    H    LEU   9           HN       LEU   9   0.035  -2.426   7.248
   54    HA   LEU   9           HA       LEU   9  -2.088  -3.095   7.715
   55    HB2  LEU   9           HB2      LEU   9  -2.089  -0.736   8.597
   56    HB3  LEU   9           HB3      LEU   9  -2.841  -0.241   7.093
   57    HG   LEU   9           HG       LEU   9  -4.793  -1.630   7.584
   58   HD11  LEU   9          HD11      LEU   9  -5.017  -2.706   9.777
   59   HD12  LEU   9          HD12      LEU   9  -3.712  -3.410   8.823
   60   HD13  LEU   9          HD13      LEU   9  -3.340  -2.297  10.139
   61   HD21  LEU   9          HD21      LEU   9  -5.654  -0.356   9.485
   62   HD22  LEU   9          HD22      LEU   9  -4.017   0.172   9.874
   63   HD23  LEU   9          HD23      LEU   9  -4.772   0.680   8.363
   64    H    VAL  10           HN       VAL  10  -1.102  -3.049   4.872
   65    HA   VAL  10           HA       VAL  10  -3.630  -2.814   3.416
   66    HB   VAL  10           HB       VAL  10  -0.853  -3.311   2.329
   67   HG11  VAL  10          HG11      VAL  10  -1.869  -2.690   0.165
   68   HG12  VAL  10          HG12      VAL  10  -2.552  -4.167   0.843
   69   HG13  VAL  10          HG13      VAL  10  -3.451  -2.653   0.946
   70   HG21  VAL  10          HG21      VAL  10  -2.472  -0.778   2.541
   71   HG22  VAL  10          HG22      VAL  10  -0.928  -1.128   3.318
   72   HG23  VAL  10          HG23      VAL  10  -1.012  -0.947   1.566
   73    H    ASP  11           HN       ASP  11  -0.907  -5.092   3.064
   74    HA   ASP  11           HA       ASP  11  -2.664  -7.329   3.607
   75    HB2  ASP  11           HB2      ASP  11  -1.429  -6.862   0.893
   76    HB3  ASP  11           HB3      ASP  11  -2.003  -8.440   1.423
   77    H    CYS  12           HN       CYS  12  -0.302  -6.218   4.825
   78    HA   CYS  12           HA       CYS  12   1.085  -8.532   5.469
   79    HB2  CYS  12           HB2      CYS  12   3.082  -8.522   4.246
   80    HB3  CYS  12           HB3      CYS  12   1.860  -8.189   3.028
   81    H    GLY  13           HN       GLY  13   1.304  -5.049   5.043
   82    HA2  GLY  13           HA1      GLY  13   1.468  -3.773   7.163
   83    HA3  GLY  13           HA2      GLY  13   2.746  -4.892   7.618
   84    HA   PRO  14           HA       PRO  14   4.465  -1.091   5.356
   85    HB2  PRO  14           HB2      PRO  14   5.756   0.074   7.425
   86    HB3  PRO  14           HB3      PRO  14   4.058   0.410   7.061
   87    HG2  PRO  14           HG2      PRO  14   5.221  -1.470   9.086
   88    HG3  PRO  14           HG3      PRO  14   3.904  -0.298   9.284
   89    HD2  PRO  14           HD2      PRO  14   3.438  -2.927   8.881
   90    HD3  PRO  14           HD3      PRO  14   2.361  -1.669   8.240
   91    H    ASN  15           HN       ASN  15   5.549  -3.272   4.702
   92    HA   ASN  15           HA       ASN  15   8.370  -3.016   5.379
   93    HB2  ASN  15           HB2      ASN  15   6.874  -5.632   5.641
   94    HB3  ASN  15           HB3      ASN  15   8.621  -5.445   5.756
   95   HD21  ASN  15          HD21      ASN  15   9.512  -4.447   7.561
   96   HD22  ASN  15          HD22      ASN  15   8.615  -4.224   9.021
   97    H    ARG  16           HN       ARG  16   5.964  -4.791   3.447
   98    HA   ARG  16           HA       ARG  16   7.940  -5.219   1.348
   99    HB2  ARG  16           HB2      ARG  16   5.052  -6.100   1.476
  100    HB3  ARG  16           HB3      ARG  16   6.241  -6.612   0.288
  101    HG2  ARG  16           HG2      ARG  16   7.546  -7.688   2.049
  102    HG3  ARG  16           HG3      ARG  16   6.353  -7.174   3.244
  103    HD2  ARG  16           HD2      ARG  16   6.004  -9.501   2.580
  104    HD3  ARG  16           HD3      ARG  16   4.638  -8.486   2.116
  105    HE   ARG  16           HE       ARG  16   6.550  -8.756   0.012
  106   HH11  ARG  16          HH12      ARG  16   3.870 -10.335   1.593
  107   HH12  ARG  16          HH11      ARG  16   3.432 -11.263   0.199
  108   HH21  ARG  16          HH22      ARG  16   5.975  -9.975  -1.823
  109   HH22  ARG  16          HH21      ARG  16   4.627 -11.059  -1.741
  110    HA   PRO  17           HA       PRO  17   6.621  -1.548  -0.834
  111    HB2  PRO  17           HB2      PRO  17   7.852  -2.855  -3.179
  112    HB3  PRO  17           HB3      PRO  17   8.233  -1.302  -2.431
  113    HG2  PRO  17           HG2      PRO  17   9.871  -3.406  -2.193
  114    HG3  PRO  17           HG3      PRO  17   9.644  -2.250  -0.868
  115    HD2  PRO  17           HD2      PRO  17   8.484  -4.987  -1.218
  116    HD3  PRO  17           HD3      PRO  17   9.105  -4.204   0.250
  117    H    CYS  18           HN       CYS  18   5.413  -1.023  -2.853
  118    HA   CYS  18           HA       CYS  18   3.845  -3.222  -3.965
  119    HB2  CYS  18           HB2      CYS  18   2.444  -0.788  -2.868
  120    HB3  CYS  18           HB3      CYS  18   1.729  -2.302  -3.411
  121    H    ARG  19           HN       ARG  19   2.295  -2.318  -5.688
  122    HA   ARG  19           HA       ARG  19   3.865  -0.562  -7.398
  123    HB2  ARG  19           HB2      ARG  19   1.338  -2.125  -7.966
  124    HB3  ARG  19           HB3      ARG  19   2.269  -1.228  -9.158
  125    HG2  ARG  19           HG2      ARG  19   3.266  -3.588  -7.576
  126    HG3  ARG  19           HG3      ARG  19   2.722  -3.625  -9.255
  127    HD2  ARG  19           HD2      ARG  19   4.507  -2.061  -9.860
  128    HD3  ARG  19           HD3      ARG  19   5.051  -2.035  -8.184
  129    HE   ARG  19           HE       ARG  19   5.074  -4.681  -8.921
  130   HH11  ARG  19          HH12      ARG  19   6.595  -1.751 -10.055
  131   HH12  ARG  19          HH11      ARG  19   8.008  -2.564 -10.640
  132   HH21  ARG  19          HH22      ARG  19   6.932  -5.750  -9.689
  133   HH22  ARG  19          HH21      ARG  19   8.199  -4.833 -10.433
  134    H    ASP  20           HN       ASP  20   3.530   1.554  -7.345
  135    HA   ASP  20           HA       ASP  20   1.007   2.611  -6.353
  136    HB2  ASP  20           HB2      ASP  20   3.117   3.565  -5.517
  137    HB3  ASP  20           HB3      ASP  20   3.551   4.041  -7.157
  138    H    THR  21           HN       THR  21  -0.537   2.488  -7.890
  139    HA   THR  21           HA       THR  21   0.057   3.265 -10.631
  140    HB   THR  21           HB       THR  21  -1.357   1.302 -10.300
  141    HG1  THR  21           HG1      THR  21  -2.985   3.411 -11.296
  142   HG21  THR  21          HG21      THR  21  -3.639   1.554  -9.388
  143   HG22  THR  21          HG22      THR  21  -3.256   3.217  -8.942
  144   HG23  THR  21          HG23      THR  21  -2.394   1.880  -8.181
  145    H    GLY  22           HN       GLY  22  -1.548   4.501  -7.792
  146    HA2  GLY  22           HA1      GLY  22  -1.774   7.104  -9.058
  147    HA3  GLY  22           HA2      GLY  22  -3.299   6.364  -8.594
  148    H    PHE  23           HN       PHE  23  -3.854   7.826  -7.024
  149    HA   PHE  23           HA       PHE  23  -1.967   8.382  -4.863
  150    HB2  PHE  23           HB2      PHE  23  -4.140   9.702  -4.062
  151    HB3  PHE  23           HB3      PHE  23  -3.068  10.351  -5.301
  152    HD1  PHE  23           HD1      PHE  23  -6.280   8.671  -4.691
  153    HD2  PHE  23           HD2      PHE  23  -3.763  10.559  -7.555
  154    HE1  PHE  23           HE1      PHE  23  -8.142   8.711  -6.299
  155    HE2  PHE  23           HE2      PHE  23  -5.621  10.610  -9.163
  156    HZ   PHE  23           HZ       PHE  23  -7.801   9.675  -8.534
  157    H    SME  24           HN       SME  24  -1.834   7.068  -3.177
  158    HA   SME  24           HA       SME  24  -2.348   5.547  -1.566
  159    HB2  SME  24           HB2      SME  24  -4.967   7.012  -1.822
  160    HB3  SME  24           HB1      SME  24  -4.733   5.726  -0.648
  161    HG2  SME  24           HG2      SME  24  -4.363   7.744   0.499
  162    HG3  SME  24           HG1      SME  24  -2.773   7.034   0.228
  163    HE1  SME  24           HE1      SME  24  -4.399  10.643  -2.181
  164    HE2  SME  24           HE2      SME  24  -5.260   9.936  -0.814
  165    HE3  SME  24           HE3      SME  24  -5.098   9.031  -2.319
  166    H    SER  25           HN       SER  25  -2.069   4.147  -3.654
  167    HA   SER  25           HA       SER  25  -4.194   2.186  -3.583
  168    HB2  SER  25           HB2      SER  25  -4.933   3.638  -5.416
  169    HB3  SER  25           HB3      SER  25  -3.356   3.484  -6.191
  170    HG   SER  25           HG       SER  25  -3.779   1.234  -6.389
  171    H    CYS  26           HN       CYS  26  -2.278   1.284  -2.454
  172    HA   CYS  26           HA       CYS  26  -0.072   0.449  -4.153
  173    HB2  CYS  26           HB2      CYS  26  -0.648   0.261  -1.212
  174    HB3  CYS  26           HB3      CYS  26   0.691  -0.620  -1.937
  175    H    ASP  27           HN       ASP  27  -0.362  -1.288  -5.388
  176    HA   ASP  27           HA       ASP  27  -2.031  -3.486  -4.377
  177    HB2  ASP  27           HB2      ASP  27  -1.138  -2.867  -7.202
  178    HB3  ASP  27           HB3      ASP  27  -2.158  -4.224  -6.733
  179    H    CYS  28           HN       CYS  28  -0.536  -4.544  -3.096
  180    HA   CYS  28           HA       CYS  28   1.682  -5.820  -4.555
  181    HB2  CYS  28           HB2      CYS  28   2.692  -5.955  -2.129
  182    HB3  CYS  28           HB3      CYS  28   2.885  -4.504  -3.103