*HEADER    STRUCTURAL PROTEIN                      26-JUN-18   6GWX              
*TITLE     STABILISING AND UNDERSTANDING A MINIPROTEIN BY RATIONAL DESIGN.       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OPTIMISED PPA-TYR;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS;                           
*SOURCE   4 ORGANISM_TAXID: 1309                                                 
*KEYWDS    DESIGNED MINIPROTEIN CH-PI INTERACTIONS WEAK NON-COVALENT             
*KEYWDS   2 INTERACTIONS IN PROTIENS SOLUTION STRUCTURE PROLINE-TYROSINE         
*KEYWDS   3 INTERACTIONS, STRUCTURAL PROTEIN                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.L.PORTER GOFF,C.WILLIAMS,E.G.BAKER,D.NICOL,J.L.SAMPHIRE,            
*AUTHOR   2 F.L.ZIELENIEWSKI,M.P.CRUMP,D.N.WOOLFSON                              
*REVDAT   1   10-JUL-19 6GWX    0                                                
# Restraints file 1: ppa_tyr_opt_diheds_020617.tbl
 !assign  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
 !        (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -57.75 35.25 2

 !assign  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
 !        (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 -31.99 35.01 2

 assign  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -75.60 35.40 2

 assign  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 155.01 35.01 2

 assign  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -65.62 34.38 2

 assign  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 150.78 35.78 2

 assign  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -78.49 71.51 2

 assign  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 121.17 31.17 2

 assign  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -81.90 78.10 2

 assign  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 151.77 61.77 2

 assign  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -55.72 34.28 2

!! assign  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
!!         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 135.97 15.97 2

!! assign  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
!!         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -65.19 44.81 2

!! assign  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
!!         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 138.20 38.20 2

!! assign  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
!!         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -65.23 34.77 2

!! assign  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
!!         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 -24.02 25.98 2

!! assign  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
!!         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -66.48 43.52 2

!! assign  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
!!         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 147.77 27.77 2

!! assign  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
!!         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -65.38 34.62 2

!! assign  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
!!         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 154.19 34.19 2

!! assign  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
!!         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -65.25 34.75 2

 assign  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 135.74 25.74 2

 assign  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -55.04 24.96 2

 assign  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 -26.54 33.46 2

 assign  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -66.54 23.46 2

 assign  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -35.05 24.95 2

 assign  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -65.01 24.99 2

 assign  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -36.79 33.21 2

 assign  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -63.76 26.24 2

 assign  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 -34.45 35.55 2

 assign  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -60.41 29.59 2

 assign  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 -32.66 37.34 2

 assign  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -64.61 25.39 2

 assign  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 -44.05 25.95 2

 assign  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -64.68 25.32 2

 assign  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 -44.32 25.68 2

 assign  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -60.96 19.04 2

 assign  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 -40.36 29.64 2

 assign  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -64.89 25.11 2

 assign  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 -41.50 28.50 2

 assign  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -64.87 25.13 2

 assign  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 -44.21 25.79 2

 assign  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -64.98 25.02 2

 assign  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 -40.58 19.42 2

 assign  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -64.79 25.21 2

 assign  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 -35.65 24.35 2

 assign  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -64.70 25.30 2

 assign  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 -38.89 21.11 2

 assign  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -65.00 25.00 2

 assign  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 -42.63 27.37 2

 assign  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -64.95 25.05 2

 assign  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 -36.55 23.45 2

 assign  (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )
         (segid "   A" and resid 29   and name CA  ) (segid "   A" and resid 29   and name C   )  1.00 -64.89 25.11 2

 assign  (segid "   A" and resid 29   and name N   ) (segid "   A" and resid 29   and name CA  )
         (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )  1.00 -43.45 26.55 2

 assign  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -62.59 27.41 2

 assign  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  )
         (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )  1.00 -42.90 27.10 2

 assign  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -64.86 25.14 2

 assign  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00 -44.44 25.56 2

 assign  (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )
         (segid "   A" and resid 32   and name CA  ) (segid "   A" and resid 32   and name C   )  1.00 -64.87 25.13 2

 assign  (segid "   A" and resid 32   and name N   ) (segid "   A" and resid 32   and name CA  )
         (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )  1.00 -35.91 24.09 2

# Restraints file 2: unambig.tbl






assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.008 0.504 0.504 weight 1.000 ! spec=Expt_75, no=3, id=1, vol=1.536320e+08
assign (segid "   A" and resid   11 and name HD21) (segid "   A" and resid   11 and name HD22) 1.742 0.379 0.379 weight 1.000 ! spec=Expt_75, no=5, id=3, vol=2.206686e+08
assign (segid "   A" and resid   11 and name HD21) (segid "   A" and resid   11 and name  HB2) 2.576 0.829 0.829 weight 1.000 ! spec=Expt_75, no=6, id=4, vol=3.692500e+07
assign (segid "   A" and resid   11 and name HD22) (segid "   A" and resid   11 and name  HB2) 3.695 1.006 1.006 weight 1.000 ! spec=Expt_75, no=8, id=6, vol=1.951940e+07
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB3) 2.661 0.480 0.480 weight 1.000 ! spec=Expt_75, no=13, id=11, vol=9.769326e+07
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG22) 2.367 0.483 0.483 weight 1.000 ! spec=Expt_75, no=28, id=25, vol=8.170582e+07
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG21)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HD1) 2.955 1.092 1.092 weight 1.000 ! spec=Expt_75, no=50, id=46, vol=1.691729e+07
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   33 and name   HN) 2.595 0.842 0.842 weight 1.000 ! spec=Expt_75, no=96, id=87, vol=3.565179e+07
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB2) 2.229 0.621 0.621 weight 1.000 ! spec=Expt_75, no=114, id=104, vol=8.833763e+07
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HG2) 3.278 1.043 1.043 weight 1.000 ! spec=Expt_75, no=118, id=106, vol=7.200242e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB3) 1.932 0.466 0.466 weight 1.000 ! spec=Expt_75, no=132, id=118, vol=1.008011e+08
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.513 0.369 0.369 weight 1.000 ! spec=Expt_75, no=140, id=125, vol=3.879032e+07
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.543 0.808 0.808 weight 1.000 ! spec=Expt_75, no=153, id=138, vol=2.874889e+07
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB1) 3.243 1.015 1.015 weight 1.000 ! spec=Expt_75, no=154, id=139, vol=3.939262e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.514 0.790 0.790 weight 1.000 ! spec=Expt_75, no=155, id=140, vol=2.941675e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 3.079 1.085 1.085 weight 1.000 ! spec=Expt_75, no=157, id=141, vol=3.203993e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HA) 3.116 1.013 1.013 weight 1.000 ! spec=Expt_75, no=162, id=146, vol=1.596312e+07
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA) 2.508 0.786 0.786 weight 1.000 ! spec=Expt_75, no=165, id=149, vol=4.737544e+07
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HB1) 2.304 0.664 0.664 weight 1.000 ! spec=Expt_75, no=172, id=156, vol=6.447218e+07
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   24 and name HD12) 3.311 0.667 0.667 weight 1.000 ! spec=Expt_75, no=185, id=167, vol=1.721972e+07
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   24 and name HD13)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HA) 2.631 0.865 0.865 weight 1.000 ! spec=Expt_75, no=187, id=169, vol=3.697255e+07
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 3.132 1.026 1.026 weight 1.000 ! spec=Expt_75, no=197, id=178, vol=1.350631e+07
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=Expt_75, no=199, id=180, vol=2.051930e+07
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name HD13) 4.098 1.018 1.018 weight 1.000 ! spec=Expt_75, no=230, id=204, vol=8.071754e+06
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB2) 4.045 1.071 1.071 weight 1.000 ! spec=Expt_75, no=238, id=209, vol=1.229405e+07
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HA) 2.515 0.613 0.613 weight 1.000 ! spec=Expt_75, no=251, id=221, vol=9.460722e+07
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name  HD1) 3.193 1.275 1.275 weight 1.000 ! spec=Expt_75, no=259, id=229, vol=2.916673e+07
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name   HB) 2.554 0.816 0.816 weight 1.000 ! spec=Expt_75, no=278, id=243, vol=2.874246e+07
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HG1) 3.000 1.125 1.125 weight 1.000 ! spec=Expt_75, no=282, id=247, vol=2.083182e+07
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HG1) 2.656 0.882 0.882 weight 1.000 ! spec=Expt_75, no=290, id=253, vol=2.097938e+07
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HG2) 3.879 1.881 1.881 weight 1.000 ! spec=Expt_75, no=293, id=256, vol=7.673380e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.587 0.837 0.837 weight 1.000 ! spec=Expt_75, no=296, id=258, vol=3.633132e+07
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA) 2.101 0.552 0.552 weight 1.000 ! spec=Expt_75, no=318, id=279, vol=9.663842e+07
assign (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    8 and name   HA) 2.842 0.808 0.808 weight 1.000 ! spec=Expt_75, no=325, id=286, vol=3.545742e+07
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name   HA) 2.675 0.894 0.894 weight 1.000 ! spec=Expt_75, no=329, id=289, vol=4.602400e+07
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HD2) 2.540 0.423 0.423 weight 1.000 ! spec=Expt_75, no=355, id=311, vol=1.894821e+08
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HD1)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name  HD2)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   27 and name  HD1) 2.548 0.474 0.474 weight 1.000 ! spec=Expt_75, no=364, id=314, vol=1.285348e+08
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   27 and name  HD2)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   27 and name  HD1)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   28 and name   HN) 3.914 1.015 1.015 weight 1.000 ! spec=Expt_75, no=407, id=350, vol=8.944429e+06
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    1 and name   HA) 2.370 0.702 0.702 weight 1.000 ! spec=Expt_75, no=413, id=355, vol=4.316420e+07
assign (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    0 and name  HA1) 2.989 0.494 0.494 weight 1.000 ! spec=Expt_75, no=421, id=361, vol=7.058780e+07
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    0 and name  HA3)
assign (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    0 and name  HA1) 3.073 0.537 0.537 weight 1.000 ! spec=Expt_75, no=422, id=362, vol=5.415759e+07
    or (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    0 and name  HA3)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD22) 2.972 1.104 1.104 weight 1.000 ! spec=Expt_75, no=425, id=365, vol=2.136725e+07
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD21)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB1) 2.711 0.919 0.919 weight 1.000 ! spec=Expt_75, no=427, id=367, vol=1.829938e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   28 and name   HN) 4.150 1.153 1.153 weight 1.000 ! spec=Expt_75, no=447, id=384, vol=4.282280e+06
assign (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    1 and name  HG1) 2.692 0.906 0.906 weight 1.000 ! spec=Expt_75, no=448, id=385, vol=2.056945e+07
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HG1) 3.082 0.853 0.853 weight 1.000 ! spec=Expt_75, no=452, id=388, vol=4.741358e+07
assign (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    1 and name  HG2) 2.772 0.960 0.960 weight 1.000 ! spec=Expt_75, no=454, id=389, vol=1.736490e+07
assign (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name  HD1) 2.790 0.973 0.973 weight 1.000 ! spec=Expt_75, no=455, id=390, vol=4.078460e+07
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name  HB2) 4.165 1.169 2.169 weight 1.000 ! spec=Expt_75, no=482, id=408, vol=6.792768e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    3 and name   HN) 2.298 0.399 0.399 weight 1.000 ! spec=Expt_75, no=489, id=414, vol=1.322001e+08
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB1) 3.277 1.342 1.342 weight 1.000 ! spec=Expt_75, no=503, id=425, vol=2.949528e+07
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name   HN) 3.260 1.328 1.328 weight 1.000 ! spec=Expt_75, no=528, id=450, vol=1.075862e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.447 0.748 0.748 weight 1.000 ! spec=Expt_75, no=530, id=452, vol=5.586284e+07
assign (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name   HA) 3.113 1.211 1.211 weight 1.000 ! spec=Expt_75, no=546, id=465, vol=2.630679e+07
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG1) 3.911 1.012 1.012 weight 1.000 ! spec=Expt_75, no=572, id=485, vol=1.010698e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.959 1.094 1.094 weight 1.000 ! spec=Expt_75, no=574, id=486, vol=1.337127e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   19 and name   HA) 3.105 1.205 1.205 weight 1.000 ! spec=Expt_75, no=581, id=490, vol=1.459530e+07
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HN) 2.546 0.811 0.811 weight 1.000 ! spec=Expt_75, no=598, id=504, vol=3.203326e+07
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   28 and name  HB2) 2.948 1.086 1.086 weight 1.000 ! spec=Expt_75, no=611, id=515, vol=1.166997e+07
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HN) 2.639 0.870 0.870 weight 1.000 ! spec=Expt_75, no=614, id=517, vol=3.025466e+07
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HN) 2.745 0.942 0.942 weight 1.000 ! spec=Expt_75, no=616, id=519, vol=2.227679e+07
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HE2) 3.364 0.871 0.871 weight 1.000 ! spec=Expt_75, no=628, id=528, vol=1.146669e+07
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HE2) 3.611 1.030 1.030 weight 1.000 ! spec=Expt_75, no=630, id=530, vol=1.102537e+07
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HG1) 2.170 0.589 0.589 weight 1.000 ! spec=Expt_75, no=631, id=531, vol=4.035316e+07
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HB3) 2.814 0.612 0.612 weight 1.000 ! spec=Expt_75, no=640, id=536, vol=5.160097e+07
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name   HA) 3.162 1.250 1.250 weight 1.000 ! spec=Expt_75, no=656, id=549, vol=1.976811e+07
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HG1) 2.756 0.950 0.950 weight 1.000 ! spec=Expt_75, no=662, id=554, vol=1.456846e+07
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid    8 and name   HA) 4.269 0.878 0.878 weight 1.000 ! spec=Expt_75, no=668, id=557, vol=7.364315e+06
assign (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid    8 and name   HA) 3.879 0.881 0.881 weight 1.000 ! spec=Expt_75, no=669, id=558, vol=1.108743e+07
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   24 and name HD12) 3.002 1.127 1.127 weight 1.000 ! spec=Expt_75, no=674, id=560, vol=8.564237e+06
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB2) 3.277 1.042 1.042 weight 1.000 ! spec=Expt_75, no=677, id=563, vol=9.575171e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD21) 2.871 0.892 0.892 weight 1.000 ! spec=Expt_75, no=683, id=568, vol=2.057138e+07
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HB1) 2.378 0.707 0.707 weight 1.000 ! spec=Expt_75, no=688, id=573, vol=4.776665e+07
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HA) 2.860 1.023 1.023 weight 1.000 ! spec=Expt_75, no=690, id=575, vol=3.188327e+07
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HB1) 2.858 1.021 1.021 weight 1.000 ! spec=Expt_75, no=693, id=578, vol=9.464039e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB2) 3.321 0.731 0.731 weight 1.000 ! spec=Expt_75, no=725, id=602, vol=5.821795e+06
assign (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid   20 and name  HD1) 2.424 0.734 0.734 weight 1.000 ! spec=Expt_75, no=743, id=611, vol=3.500548e+07
    or (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid   20 and name  HD2)
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   20 and name  HD1)
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   25 and name  HB3) (segid "   A" and resid   22 and name   HA) 2.857 0.479 0.479 weight 1.000 ! spec=Expt_75, no=754, id=619, vol=9.792489e+07
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 2.899 1.051 1.051 weight 1.000 ! spec=Expt_75, no=621, id=524, vol=1.771221e+07
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HA) 2.536 0.682 0.682 weight 1.000 ! spec=Expt_75, no=760, id=625, vol=6.276020e+07
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HG1) 2.626 0.862 0.862 weight 1.000 ! spec=Expt_75, no=765, id=630, vol=2.147186e+07
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD11) 2.899 1.050 1.050 weight 1.000 ! spec=Expt_75, no=772, id=635, vol=2.441958e+07
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD13)
assign (segid "   A" and resid   30 and name  HG2) (segid "   A" and resid   30 and name   HA) 2.967 1.100 1.100 weight 1.000 ! spec=Expt_75, no=784, id=647, vol=1.896707e+07
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   10 and name   HA) 4.002 1.713 1.713 weight 1.000 ! spec=Expt_75, no=801, id=660, vol=9.818035e+06
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    2 and name  HD2) 3.923 1.923 1.923 weight 1.000 ! spec=Expt_75, no=824, id=676, vol=1.245656e+07
    or (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    2 and name  HD2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name   HA) 3.087 1.191 1.191 weight 1.000 ! spec=Expt_91, no=1, id=685, vol=6.340070e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.385 0.711 0.711 weight 1.000 ! spec=Expt_91, no=2, id=686, vol=1.993436e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN) 2.610 0.852 0.852 weight 1.000 ! spec=Expt_91, no=3, id=687, vol=1.508357e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HN) 2.537 0.804 0.804 weight 1.000 ! spec=Expt_91, no=4, id=688, vol=1.487476e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name   HN) 2.722 0.926 0.926 weight 1.000 ! spec=Expt_91, no=5, id=689, vol=1.281686e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HN) 2.590 0.839 0.839 weight 1.000 ! spec=Expt_91, no=6, id=690, vol=1.444022e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name   HN) 2.453 0.752 0.752 weight 1.000 ! spec=Expt_91, no=7, id=691, vol=2.011532e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HN) 2.634 0.867 0.867 weight 1.000 ! spec=Expt_91, no=8, id=692, vol=1.353004e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 2.556 0.816 0.816 weight 1.000 ! spec=Expt_91, no=9, id=693, vol=1.621996e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name   HN) 3.070 1.178 1.178 weight 1.000 ! spec=Expt_91, no=10, id=694, vol=6.184677e+04
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   27 and name  HE2) 4.023 1.464 1.464 weight 1.000 ! spec=Expt_91, no=12, id=696, vol=4.683338e+04
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   27 and name  HE1)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HN) 2.468 0.761 0.761 weight 1.000 ! spec=Expt_91, no=13, id=697, vol=1.983672e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HN) 2.509 0.787 0.787 weight 1.000 ! spec=Expt_91, no=19, id=703, vol=1.930322e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HN) 2.406 0.724 0.724 weight 1.000 ! spec=Expt_91, no=39, id=720, vol=2.495401e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HN) 2.523 0.796 0.796 weight 1.000 ! spec=Expt_91, no=43, id=723, vol=1.769823e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   20 and name   HN) 3.842 1.481 1.481 weight 1.000 ! spec=Expt_91, no=46, id=726, vol=3.473932e+04
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   26 and name   HN) 3.658 1.673 1.673 weight 1.000 ! spec=Expt_91, no=47, id=727, vol=2.840604e+04
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name   HN) 3.602 1.622 1.622 weight 1.000 ! spec=Expt_91, no=48, id=728, vol=2.798277e+04
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HD2) 3.328 1.385 1.385 weight 1.000 ! spec=Expt_91, no=52, id=731, vol=7.802047e+04
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    3 and name   HN) 3.695 1.106 1.106 weight 1.000 ! spec=Expt_91, no=55, id=733, vol=2.646088e+04
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    3 and name   HN)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name   HB) 3.751 1.058 1.058 weight 1.000 ! spec=Expt_91, no=59, id=737, vol=3.553204e+04
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HB) 3.395 1.041 1.041 weight 1.000 ! spec=Expt_91, no=60, id=738, vol=3.891357e+04
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 2.693 0.907 0.907 weight 1.000 ! spec=Expt_91, no=61, id=739, vol=1.319131e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 2.589 0.838 0.838 weight 1.000 ! spec=Expt_91, no=62, id=740, vol=1.471844e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HA) 2.689 0.904 0.904 weight 1.000 ! spec=Expt_91, no=63, id=741, vol=1.383770e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.782 0.968 0.968 weight 1.000 ! spec=Expt_91, no=66, id=742, vol=1.051664e+05
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    4 and name   HN) 2.867 0.534 0.534 weight 1.000 ! spec=Expt_91, no=72, id=745, vol=6.058215e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 3.047 1.161 1.161 weight 1.000 ! spec=Expt_91, no=73, id=746, vol=5.914945e+04
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   25 and name   HA) 3.087 1.191 1.191 weight 1.000 ! spec=Expt_91, no=75, id=747, vol=6.213032e+04
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA) 2.063 0.532 0.532 weight 1.000 ! spec=Expt_91, no=77, id=749, vol=5.663140e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA) 3.363 1.414 1.414 weight 1.000 ! spec=Expt_91, no=78, id=750, vol=3.829419e+04
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.553 0.815 0.815 weight 1.000 ! spec=Expt_91, no=79, id=751, vol=1.786788e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 2.655 0.881 0.881 weight 1.000 ! spec=Expt_91, no=82, id=754, vol=1.346792e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HD1) 2.974 1.106 1.106 weight 1.000 ! spec=Expt_91, no=83, id=755, vol=6.953462e+04
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 2.777 0.964 0.964 weight 1.000 ! spec=Expt_91, no=85, id=757, vol=1.052929e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name   HB) 2.661 0.885 0.885 weight 1.000 ! spec=Expt_91, no=86, id=758, vol=1.267136e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name   HA) 3.616 1.634 1.634 weight 1.000 ! spec=Expt_91, no=87, id=759, vol=2.888114e+04
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   20 and name   HA) 3.588 1.609 1.609 weight 1.000 ! spec=Expt_91, no=88, id=760, vol=2.661082e+04
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=Expt_91, no=89, id=761, vol=1.446391e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.775 0.962 0.962 weight 1.000 ! spec=Expt_91, no=90, id=762, vol=1.008479e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB2) 2.787 0.971 0.971 weight 1.000 ! spec=Expt_91, no=91, id=763, vol=9.261814e+04
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 3.200 0.880 0.880 weight 1.000 ! spec=Expt_91, no=94, id=766, vol=5.738998e+04
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 2.562 0.820 0.820 weight 1.000 ! spec=Expt_91, no=98, id=770, vol=1.722862e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.639 0.871 0.871 weight 1.000 ! spec=Expt_91, no=99, id=771, vol=1.450824e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HA2) 2.799 0.979 0.979 weight 1.000 ! spec=Expt_91, no=100, id=772, vol=9.904684e+04
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name   HA) 3.609 1.628 1.628 weight 1.000 ! spec=Expt_91, no=102, id=774, vol=2.999075e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name   HA) 3.129 1.224 1.224 weight 1.000 ! spec=Expt_91, no=103, id=775, vol=6.846371e+04
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HA1) 2.631 0.865 0.865 weight 1.000 ! spec=Expt_91, no=105, id=777, vol=1.682741e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA) 2.627 0.863 0.863 weight 1.000 ! spec=Expt_91, no=106, id=778, vol=1.453360e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1) 2.884 1.040 1.040 weight 1.000 ! spec=Expt_91, no=108, id=780, vol=1.689458e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.756 0.949 0.949 weight 1.000 ! spec=Expt_91, no=109, id=781, vol=8.995272e+04
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.603 0.847 0.847 weight 1.000 ! spec=Expt_91, no=110, id=782, vol=1.630501e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.489 0.775 0.775 weight 1.000 ! spec=Expt_91, no=111, id=783, vol=1.838289e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB2) 2.600 0.845 0.845 weight 1.000 ! spec=Expt_91, no=113, id=785, vol=1.651677e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   25 and name   HN) 3.412 1.456 1.456 weight 1.000 ! spec=Expt_91, no=114, id=786, vol=3.431397e+04
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name   HA) 3.119 1.216 1.216 weight 1.000 ! spec=Expt_91, no=115, id=787, vol=5.545677e+04
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   32 and name   HN) 3.362 1.413 1.413 weight 1.000 ! spec=Expt_91, no=116, id=788, vol=3.779886e+04
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   21 and name   HA) 3.885 1.886 1.886 weight 1.000 ! spec=Expt_91, no=118, id=790, vol=2.462678e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name   HA) 2.667 0.889 0.889 weight 1.000 ! spec=Expt_91, no=130, id=797, vol=1.373883e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.214 0.613 0.613 weight 1.000 ! spec=Expt_91, no=132, id=799, vol=3.933001e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name   HA) 2.373 0.704 0.704 weight 1.000 ! spec=Expt_91, no=139, id=804, vol=2.762409e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HA) 2.585 0.835 0.835 weight 1.000 ! spec=Expt_91, no=142, id=807, vol=1.654801e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 2.074 0.538 0.538 weight 1.000 ! spec=Expt_91, no=145, id=810, vol=5.561049e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 2.611 0.852 0.852 weight 1.000 ! spec=Expt_91, no=151, id=814, vol=1.533410e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB2) 4.085 1.018 1.018 weight 1.000 ! spec=Expt_91, no=170, id=830, vol=3.790479e+04
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name   HN) 3.909 1.910 1.910 weight 1.000 ! spec=Expt_91, no=179, id=839, vol=3.288855e+04
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HG1) 3.847 1.050 1.050 weight 1.000 ! spec=Expt_91, no=180, id=840, vol=2.491082e+04
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.943 1.083 1.083 weight 1.000 ! spec=Expt_91, no=181, id=841, vol=7.304586e+04
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.895 1.047 1.047 weight 1.000 ! spec=Expt_91, no=182, id=842, vol=1.369763e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HG1) 3.668 1.682 1.682 weight 1.000 ! spec=Expt_91, no=183, id=843, vol=4.455715e+04
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB1) 3.247 1.318 1.318 weight 1.000 ! spec=Expt_91, no=185, id=845, vol=4.369446e+04
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.486 0.772 0.772 weight 1.000 ! spec=Expt_91, no=187, id=847, vol=1.801071e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HG1) 3.416 1.459 1.459 weight 1.000 ! spec=Expt_91, no=188, id=848, vol=7.828949e+04
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HN) 2.859 1.022 1.022 weight 1.000 ! spec=Expt_91, no=190, id=850, vol=8.762196e+04
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG1) 3.360 1.411 1.411 weight 1.000 ! spec=Expt_91, no=194, id=853, vol=7.735537e+04
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB1) 2.516 0.791 0.791 weight 1.000 ! spec=Expt_91, no=196, id=855, vol=1.780899e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD22) 3.054 1.166 1.166 weight 1.000 ! spec=Expt_91, no=204, id=861, vol=1.342397e+05
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB2) 3.183 1.066 1.066 weight 1.000 ! spec=Expt_91, no=207, id=864, vol=6.772307e+04
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.632 0.866 0.866 weight 1.000 ! spec=Expt_91, no=208, id=865, vol=1.392736e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB1) 2.601 0.846 0.846 weight 1.000 ! spec=Expt_91, no=209, id=866, vol=1.431120e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2) 2.632 0.866 0.866 weight 1.000 ! spec=Expt_91, no=210, id=867, vol=1.562322e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.564 0.822 0.822 weight 1.000 ! spec=Expt_91, no=215, id=871, vol=1.499428e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB1) 3.285 1.349 1.349 weight 1.000 ! spec=Expt_91, no=216, id=872, vol=8.250223e+04
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB2) 3.198 1.278 1.278 weight 1.000 ! spec=Expt_91, no=218, id=874, vol=4.421397e+04
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB2) 2.548 0.812 0.812 weight 1.000 ! spec=Expt_91, no=221, id=877, vol=1.640493e+05
assign (segid "   A" and resid   30 and name  HG1) (segid "   A" and resid   30 and name   HN) 3.048 1.049 1.049 weight 1.000 ! spec=Expt_91, no=222, id=878, vol=2.114477e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.368 0.701 0.701 weight 1.000 ! spec=Expt_91, no=226, id=882, vol=2.339348e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB1) 3.035 1.151 1.151 weight 1.000 ! spec=Expt_91, no=230, id=885, vol=1.620732e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HG2) 4.562 1.062 1.062 weight 1.000 ! spec=Expt_91, no=238, id=893, vol=2.642138e+04
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HG1) 3.374 1.423 1.423 weight 1.000 ! spec=Expt_91, no=244, id=899, vol=8.401911e+04
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   17 and name HD11) 3.090 0.973 0.973 weight 1.000 ! spec=Expt_91, no=262, id=915, vol=1.078515e+05
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   17 and name HD13)
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   17 and name HD13)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.408 0.725 0.725 weight 1.000 ! spec=Expt_91, no=287, id=934, vol=1.977594e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.688 0.903 0.903 weight 1.000 ! spec=Expt_91, no=288, id=935, vol=1.086572e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name  HB2) 3.052 1.164 1.164 weight 1.000 ! spec=Expt_91, no=293, id=939, vol=6.649017e+04
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.291 0.656 0.656 weight 1.000 ! spec=Expt_91, no=298, id=944, vol=3.136665e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB2) 2.302 0.662 0.662 weight 1.000 ! spec=Expt_91, no=299, id=945, vol=3.104108e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB1)
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HN) 3.139 1.232 1.232 weight 1.000 ! spec=Expt_91, no=325, id=969, vol=6.389451e+04
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB2) 3.566 1.090 1.590 weight 1.000 ! spec=Expt_91, no=400, id=1017, vol=5.996437e+04
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 2.884 0.589 0.589 weight 1.000 ! spec=Expt_91, no=436, id=1049, vol=5.032592e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name   HN) 2.919 1.065 1.065 weight 1.000 ! spec=Expt_91, no=437, id=1050, vol=8.614253e+04
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HA1) 3.037 1.153 1.153 weight 1.000 ! spec=Expt_91, no=444, id=1054, vol=8.021998e+04
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   20 and name   HA) 3.051 1.164 1.164 weight 1.000 ! spec=Expt_91, no=455, id=1063, vol=6.316692e+04
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HA2) 2.726 0.929 0.929 weight 1.000 ! spec=Expt_91, no=462, id=1070, vol=1.164822e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HG2) 3.960 1.060 1.060 weight 1.000 ! spec=Expt_91, no=490, id=1095, vol=3.644106e+04
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name   HB) 2.759 0.951 0.951 weight 1.000 ! spec=Expt_91, no=514, id=1114, vol=1.737155e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   14 and name  HD1) 2.417 0.730 0.730 weight 1.000 ! spec=Expt_91, no=516, id=1115, vol=3.689178e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name   HB) 2.336 0.682 0.682 weight 1.000 ! spec=Expt_91, no=518, id=1117, vol=2.705177e+05
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   17 and name   HA) 3.017 1.138 1.138 weight 1.000 ! spec=Expt_91, no=526, id=1125, vol=9.839364e+04
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   27 and name  HB1) 3.352 1.405 1.405 weight 1.000 ! spec=Expt_91, no=528, id=1127, vol=1.028928e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   34 and name  HB1) 2.874 1.032 1.032 weight 1.000 ! spec=Expt_91, no=529, id=1128, vol=7.628061e+04
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name   HA) 2.860 1.022 1.022 weight 1.000 ! spec=Expt_91, no=542, id=1138, vol=1.186713e+05
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HG1) 2.850 1.015 1.015 weight 1.000 ! spec=Expt_91, no=547, id=1143, vol=1.055305e+05
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HA) 2.785 0.969 0.969 weight 1.000 ! spec=Expt_91, no=572, id=1154, vol=1.430996e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name  HD1) 2.228 0.620 0.620 weight 1.000 ! spec=Expt_91, no=586, id=1164, vol=3.199736e+05
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name   HA) 2.443 0.746 0.746 weight 1.000 ! spec=Expt_91, no=587, id=1165, vol=2.266980e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   27 and name  HB2) 2.528 0.799 0.799 weight 1.000 ! spec=Expt_91, no=588, id=1166, vol=1.396234e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   34 and name  HB2) 2.979 1.110 1.110 weight 1.000 ! spec=Expt_91, no=592, id=1169, vol=8.058265e+04
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB1) 2.316 0.670 0.670 weight 1.000 ! spec=Expt_91, no=594, id=1171, vol=2.556557e+05
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HA) 2.831 1.002 1.002 weight 1.000 ! spec=Expt_91, no=597, id=1172, vol=1.330424e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB2) 3.021 1.141 1.141 weight 1.000 ! spec=Expt_91, no=598, id=1173, vol=9.416025e+04
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HD2) 2.109 0.556 0.556 weight 1.000 ! spec=Expt_91, no=605, id=1176, vol=3.473546e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HG2) 3.375 1.423 1.423 weight 1.000 ! spec=Expt_91, no=606, id=1177, vol=5.289996e+04
assign (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   21 and name   HA) 3.022 1.142 1.142 weight 1.000 ! spec=Expt_91, no=609, id=1179, vol=8.347951e+04
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB2) 2.947 1.085 1.085 weight 1.000 ! spec=Expt_91, no=611, id=1181, vol=9.832074e+04
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB1) 2.489 0.774 0.774 weight 1.000 ! spec=Expt_91, no=612, id=1182, vol=1.885223e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB1) 2.577 0.830 0.830 weight 1.000 ! spec=Expt_91, no=615, id=1185, vol=1.531074e+05
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name   HA) 2.259 0.638 0.638 weight 1.000 ! spec=Expt_91, no=617, id=1187, vol=3.175323e+05
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name   HA) 2.420 0.732 0.732 weight 1.000 ! spec=Expt_91, no=619, id=1189, vol=2.104937e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HA) 2.358 0.695 0.695 weight 1.000 ! spec=Expt_91, no=621, id=1191, vol=2.682710e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.816 0.791 0.791 weight 1.000 ! spec=Expt_91, no=623, id=1193, vol=1.836280e+05
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name   HA) 2.458 0.755 0.755 weight 1.000 ! spec=Expt_91, no=628, id=1198, vol=1.731422e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name   HA) 2.351 0.691 0.691 weight 1.000 ! spec=Expt_91, no=632, id=1201, vol=2.384630e+05
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name   HA) 2.880 1.037 1.037 weight 1.000 ! spec=Expt_91, no=633, id=1202, vol=1.038391e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name  HB1) 2.741 0.939 0.939 weight 1.000 ! spec=Expt_91, no=642, id=1208, vol=1.123863e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name  HB1) 2.750 0.945 0.945 weight 1.000 ! spec=Expt_91, no=652, id=1211, vol=9.603354e+04
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD13) 3.285 1.349 1.349 weight 1.000 ! spec=Expt_91, no=688, id=1233, vol=5.863705e+04
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HG1) 3.125 1.220 1.220 weight 1.000 ! spec=Expt_91, no=689, id=1234, vol=5.131265e+04
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HG2) 2.970 1.103 1.103 weight 1.000 ! spec=Expt_91, no=690, id=1235, vol=6.303369e+04
assign (segid "   A" and resid   21 and name  HG1) (segid "   A" and resid   21 and name  HG2) 1.860 0.433 0.433 weight 1.000 ! spec=Expt_91, no=699, id=1242, vol=8.404332e+05
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HB1) 2.461 0.757 0.757 weight 1.000 ! spec=Expt_91, no=707, id=1249, vol=3.745128e+05
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name  HB1) 1.761 0.387 0.387 weight 1.000 ! spec=Expt_91, no=712, id=1254, vol=1.173112e+06
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid    5 and name  HB1) 2.041 0.521 0.521 weight 1.000 ! spec=Expt_91, no=715, id=1257, vol=4.607542e+05
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name  HG2) 1.654 0.342 0.342 weight 1.000 ! spec=Expt_91, no=722, id=1261, vol=1.744559e+06
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   28 and name  HG1) 2.011 0.505 0.505 weight 1.000 ! spec=Expt_91, no=724, id=1263, vol=5.101691e+05
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HG2) 2.370 0.702 0.702 weight 1.000 ! spec=Expt_91, no=741, id=1273, vol=2.486110e+05
    or (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HG1)
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   16 and name  HG1) 3.389 0.504 0.504 weight 1.000 ! spec=Expt_91, no=744, id=1275, vol=4.834087e+05
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB2) 2.528 0.799 0.799 weight 1.000 ! spec=Expt_91, no=828, id=1334, vol=1.689456e+05
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB1)
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name   HA) 2.346 0.688 0.688 weight 1.000 ! spec=Expt_91, no=836, id=1338, vol=3.051721e+05
assign (segid "   A" and resid   15 and name  HG1) (segid "   A" and resid   15 and name   HA) 2.829 0.864 0.864 weight 1.000 ! spec=Expt_91, no=837, id=1339, vol=1.436021e+05
assign (segid "   A" and resid   23 and name  HG1) (segid "   A" and resid   23 and name   HA) 3.113 1.211 1.211 weight 1.000 ! spec=Expt_91, no=838, id=1340, vol=6.723054e+04
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HG1) 2.652 0.879 0.879 weight 1.000 ! spec=Expt_91, no=839, id=1341, vol=1.299090e+05
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HG1)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HB1) 2.827 0.999 0.999 weight 1.000 ! spec=Expt_91, no=843, id=1345, vol=1.017897e+05
assign (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    1 and name  HG2) 3.135 1.228 1.228 weight 1.000 ! spec=Expt_91, no=849, id=1348, vol=7.404578e+04
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HG1) 3.036 1.152 1.152 weight 1.000 ! spec=Expt_91, no=851, id=1350, vol=9.259854e+04
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HD2) 3.418 1.460 1.460 weight 1.000 ! spec=Expt_91, no=857, id=1354, vol=5.945473e+04
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HD1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG2) 3.583 1.605 1.605 weight 1.000 ! spec=Expt_91, no=858, id=1355, vol=4.915260e+04
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   14 and name   HA) 3.512 1.542 1.542 weight 1.000 ! spec=Expt_91, no=867, id=1362, vol=5.839208e+04
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    5 and name   HA) 2.844 1.011 1.011 weight 1.000 ! spec=Expt_91, no=868, id=1363, vol=1.319264e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   18 and name   HA) 2.994 1.121 1.121 weight 1.000 ! spec=Expt_91, no=871, id=1365, vol=7.419925e+04
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 4.001 1.032 1.032 weight 1.000 ! spec=Expt_91, no=872, id=1366, vol=3.750161e+04
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    8 and name  HD2) 3.113 1.211 1.211 weight 1.000 ! spec=Expt_91, no=880, id=1371, vol=4.485246e+04
assign (segid "   A" and resid    2 and name  HG1) (segid "   A" and resid    1 and name   HA) 3.554 1.579 1.579 weight 1.000 ! spec=Expt_91, no=883, id=1373, vol=7.880266e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HD1) 3.238 1.311 1.311 weight 1.000 ! spec=Expt_92, no=13, id=1390, vol=1.416303e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD1) 3.241 1.313 1.313 weight 1.000 ! spec=Expt_92, no=15, id=1392, vol=1.451959e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name   HN) 3.431 1.471 1.471 weight 1.000 ! spec=Expt_92, no=32, id=1408, vol=6.218319e+04
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HN) 2.377 0.706 0.706 weight 1.000 ! spec=Expt_92, no=39, id=1415, vol=2.486211e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HN) 2.747 0.943 0.943 weight 1.000 ! spec=Expt_92, no=42, id=1418, vol=1.629348e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=Expt_92, no=43, id=1419, vol=1.761371e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HD1) 2.968 1.101 1.101 weight 1.000 ! spec=Expt_92, no=48, id=1424, vol=1.250683e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   27 and name  HE2) 3.228 1.303 1.303 weight 1.000 ! spec=Expt_92, no=54, id=1430, vol=8.997156e+04
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   27 and name  HE1)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA) 2.860 1.022 1.022 weight 1.000 ! spec=Expt_92, no=71, id=1443, vol=1.342727e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name   HA) 3.228 1.303 1.303 weight 1.000 ! spec=Expt_92, no=75, id=1447, vol=8.210232e+04
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 3.364 1.414 1.414 weight 1.000 ! spec=Expt_92, no=79, id=1451, vol=6.596410e+04
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.842 1.009 1.009 weight 1.000 ! spec=Expt_92, no=88, id=1460, vol=1.033689e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG2) 2.646 0.875 0.875 weight 1.000 ! spec=Expt_92, no=91, id=1463, vol=1.554292e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name   HN) 3.310 1.370 1.370 weight 1.000 ! spec=Expt_92, no=92, id=1464, vol=7.404135e+04
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name  HB1) 2.480 0.769 0.769 weight 1.000 ! spec=Expt_92, no=108, id=1479, vol=2.773957e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 3.346 1.399 1.399 weight 1.000 ! spec=Expt_92, no=114, id=1485, vol=6.372081e+04
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HA) 3.196 1.277 1.277 weight 1.000 ! spec=Expt_92, no=115, id=1486, vol=9.211131e+04
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.396 0.718 0.718 weight 1.000 ! spec=Expt_92, no=117, id=1487, vol=4.287056e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.578 0.831 0.831 weight 1.000 ! spec=Expt_92, no=119, id=1489, vol=2.164082e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name   HA) 3.563 1.587 1.587 weight 1.000 ! spec=Expt_92, no=122, id=1491, vol=6.787099e+04
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 3.149 1.239 1.239 weight 1.000 ! spec=Expt_92, no=128, id=1497, vol=9.126537e+04
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name   HA) 3.024 1.143 1.143 weight 1.000 ! spec=Expt_92, no=129, id=1498, vol=1.109483e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.512 0.788 0.788 weight 1.000 ! spec=Expt_92, no=130, id=1499, vol=2.477296e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA) 2.747 0.943 0.943 weight 1.000 ! spec=Expt_92, no=132, id=1501, vol=2.228793e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name   HA) 2.999 1.124 1.124 weight 1.000 ! spec=Expt_92, no=133, id=1502, vol=1.093382e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name   HA) 3.055 1.166 1.166 weight 1.000 ! spec=Expt_92, no=136, id=1505, vol=9.374019e+04
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 2.593 0.840 0.840 weight 1.000 ! spec=Expt_92, no=142, id=1511, vol=2.825322e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 3.195 1.276 1.276 weight 1.000 ! spec=Expt_92, no=143, id=1512, vol=9.015480e+04
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   30 and name   HA) 3.080 1.186 1.186 weight 1.000 ! spec=Expt_92, no=144, id=1513, vol=9.691756e+04
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name   HA) 2.389 0.713 0.713 weight 1.000 ! spec=Expt_92, no=145, id=1514, vol=3.819067e+05
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name   HA)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   27 and name   HA) 2.557 0.817 0.817 weight 1.000 ! spec=Expt_92, no=146, id=1515, vol=2.963108e+05
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name   HA) 2.493 0.777 0.777 weight 1.000 ! spec=Expt_92, no=148, id=1516, vol=3.321147e+05
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name   HA) 3.016 1.137 1.137 weight 1.000 ! spec=Expt_92, no=149, id=1517, vol=1.399378e+05
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   31 and name   HA) 4.052 1.077 1.077 weight 1.000 ! spec=Expt_92, no=150, id=1518, vol=6.461839e+04
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   31 and name   HA)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   20 and name  HD1) 3.088 1.192 1.192 weight 1.000 ! spec=Expt_92, no=151, id=1519, vol=7.514596e+04
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   28 and name   HA) 2.948 1.086 1.086 weight 1.000 ! spec=Expt_92, no=152, id=1520, vol=9.756376e+04
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   20 and name  HD1) 3.060 1.022 1.022 weight 1.000 ! spec=Expt_92, no=153, id=1521, vol=1.203321e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    4 and name   HA) 2.784 0.969 0.969 weight 1.000 ! spec=Expt_92, no=155, id=1522, vol=1.325480e+05
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HB2) 2.341 0.685 0.685 weight 1.000 ! spec=Expt_92, no=157, id=1523, vol=3.162670e+05
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid    8 and name  HD1) 3.036 1.006 1.006 weight 1.000 ! spec=Expt_92, no=159, id=1525, vol=1.211467e+05
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid    8 and name  HD1)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid    8 and name  HD2) 3.364 1.098 1.098 weight 1.000 ! spec=Expt_92, no=163, id=1529, vol=8.831270e+04
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid    8 and name  HD2)
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   27 and name  HD1) 2.898 1.050 1.050 weight 1.000 ! spec=Expt_92, no=164, id=1530, vol=1.135828e+05
    or (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   21 and name  HG1) (segid "   A" and resid   20 and name  HD1) 3.381 1.029 1.029 weight 1.000 ! spec=Expt_92, no=165, id=1531, vol=7.416698e+04
    or (segid "   A" and resid   21 and name  HG1) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   20 and name  HD1) 3.263 1.331 1.331 weight 1.000 ! spec=Expt_92, no=166, id=1532, vol=1.530554e+05
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   27 and name  HD1) 3.375 1.054 1.054 weight 1.000 ! spec=Expt_92, no=167, id=1533, vol=1.286991e+05
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HG2) 3.385 1.041 1.041 weight 1.000 ! spec=Expt_92, no=168, id=1534, vol=1.194447e+05
!Watch 3.3 to HG1 of P2 and 4.4 to Hbs in PaTyr
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid    2 and name  HB2) 4.041 1.395 1.395 weight 1.000 ! spec=Expt_92, no=174, id=1540, vol=7.822669e+04
assign (segid "   A" and resid   23 and name  HG1) (segid "   A" and resid   23 and name   HN) 2.567 0.823 0.823 weight 1.000 ! spec=Expt_92, no=177, id=1543, vol=1.817012e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2) 3.156 1.245 1.245 weight 1.000 ! spec=Expt_92, no=180, id=1545, vol=1.134694e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HG2) 2.789 0.972 0.972 weight 1.000 ! spec=Expt_92, no=181, id=1546, vol=1.163978e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.213 1.291 1.291 weight 1.000 ! spec=Expt_92, no=183, id=1548, vol=7.765391e+04
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name   HN) 3.097 1.199 1.199 weight 1.000 ! spec=Expt_92, no=186, id=1551, vol=7.270488e+04
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD22) 3.090 1.133 1.133 weight 1.000 ! spec=Expt_92, no=187, id=1552, vol=2.044922e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD21)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD12) 2.944 1.083 1.083 weight 1.000 ! spec=Expt_92, no=188, id=1553, vol=1.800630e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB1) 2.655 0.881 0.881 weight 1.000 ! spec=Expt_92, no=189, id=1554, vol=1.645248e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name HG22) 4.054 1.169 1.1669 weight 1.000 ! spec=Expt_92, no=190, id=1555, vol=5.996835e+04
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name HG21)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2) 3.327 1.383 1.383 weight 1.000 ! spec=Expt_92, no=191, id=1556, vol=5.625984e+04
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD13) 3.114 1.212 1.212 weight 1.000 ! spec=Expt_92, no=194, id=1558, vol=1.325732e+05
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB2) 2.632 0.866 0.866 weight 1.000 ! spec=Expt_92, no=197, id=1561, vol=1.972052e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HG1) 3.977 1.077 1.077 weight 1.000 ! spec=Expt_92, no=200, id=1564, vol=6.715957e+04
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB1) 2.591 0.839 0.839 weight 1.000 ! spec=Expt_92, no=201, id=1565, vol=1.573491e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB1) 2.982 1.111 1.111 weight 1.000 ! spec=Expt_92, no=207, id=1570, vol=9.686539e+04
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB1) 2.801 0.981 0.981 weight 1.000 ! spec=Expt_92, no=212, id=1575, vol=9.411961e+04
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB2) 1.826 0.417 0.417 weight 1.000 ! spec=Expt_92, no=221, id=1584, vol=7.748324e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB3)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   12 and name  HB3) 3.190 1.272 1.272 weight 1.000 ! spec=Expt_92, no=223, id=1586, vol=7.614443e+04
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD21) 2.815 0.729 0.729 weight 1.000 ! spec=Expt_92, no=224, id=1587, vol=1.127690e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD11) 2.832 1.003 1.003 weight 1.000 ! spec=Expt_92, no=225, id=1588, vol=1.147233e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD13)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name HD12) 3.221 1.297 1.297 weight 1.000 ! spec=Expt_92, no=227, id=1590, vol=5.393640e+04
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.253 0.634 0.634 weight 1.000 ! spec=Expt_92, no=228, id=1591, vol=2.391685e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB3)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB2) 1.855 0.430 0.430 weight 1.000 ! spec=Expt_92, no=229, id=1592, vol=7.156876e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB3)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB2) 1.977 0.489 0.489 weight 1.000 ! spec=Expt_92, no=230, id=1593, vol=7.132311e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB2) 2.109 0.556 0.556 weight 1.000 ! spec=Expt_92, no=232, id=1595, vol=3.574264e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB1)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB3)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB3) 2.113 0.558 0.558 weight 1.000 ! spec=Expt_92, no=233, id=1596, vol=3.733166e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB3) 1.885 0.444 0.444 weight 1.000 ! spec=Expt_92, no=234, id=1597, vol=5.839362e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB3) 2.831 0.679 0.679 weight 1.000 ! spec=Expt_92, no=235, id=1598, vol=2.480391e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB1) 1.864 0.434 0.434 weight 1.000 ! spec=Expt_92, no=237, id=1600, vol=7.095071e+05
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB2)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name  HB3)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB3) 2.747 0.943 0.943 weight 1.000 ! spec=Expt_92, no=240, id=1603, vol=2.947629e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD22) 3.467 1.003 1.003 weight 1.000 ! spec=Expt_92, no=244, id=1606, vol=7.724567e+04
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD22) 3.438 1.477 1.477 weight 1.000 ! spec=Expt_92, no=245, id=1607, vol=7.655074e+04
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD21)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD12) 3.380 1.428 1.428 weight 1.000 ! spec=Expt_92, no=246, id=1608, vol=7.966370e+04
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD13) 3.296 1.358 1.358 weight 1.000 ! spec=Expt_92, no=247, id=1609, vol=9.519458e+04
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name HD12) 2.836 0.377 0.377 weight 1.000 ! spec=Expt_92, no=249, id=1611, vol=3.698184e+05
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name HD13)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   31 and name HD13) 2.853 0.384 0.384 weight 1.000 ! spec=Expt_92, no=250, id=1612, vol=3.377050e+05
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   31 and name HD12)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    4 and name  HG1) 3.324 1.381 1.381 weight 1.000 ! spec=Expt_92, no=251, id=1613, vol=5.727495e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    4 and name  HG1)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    4 and name  HG2)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    4 and name  HG2)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    2 and name  HB2) 3.035 0.868 0.868 weight 1.000 ! spec=Expt_92, no=253, id=1615, vol=1.385839e+05
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    2 and name  HG2) 3.304 1.128 1.128 weight 1.000 ! spec=Expt_92, no=254, id=1616, vol=9.673387e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    2 and name  HG2)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    4 and name  HD1) 3.344 1.085 1.085 weight 1.000 ! spec=Expt_92, no=256, id=1618, vol=6.027153e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    4 and name  HD1)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    4 and name  HB1) 2.970 1.102 1.102 weight 1.000 ! spec=Expt_92, no=260, id=1620, vol=5.290310e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    4 and name  HB1)
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid   20 and name  HD1) 2.557 0.817 0.817 weight 1.000 ! spec=Expt_92, no=264, id=1623, vol=1.953662e+05
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid    5 and name  HG2) 2.805 0.915 0.915 weight 1.000 ! spec=Expt_92, no=265, id=1624, vol=1.647264e+05
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid    5 and name  HG2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    2 and name  HB2) 2.869 0.825 0.825 weight 1.000 ! spec=Expt_92, no=267, id=1626, vol=2.310856e+05
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    2 and name  HG2) 4.005 1.049 1.049 weight 1.000 ! spec=Expt_92, no=268, id=1627, vol=7.058671e+04
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    2 and name  HG2)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG1) 3.957 1.057 1.057 weight 1.000 ! spec=Expt_92, no=272, id=1631, vol=7.376212e+04
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG2)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.651 0.879 0.879 weight 1.000 ! spec=Expt_92, no=278, id=1636, vol=1.935494e+05
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name  HB2) 2.256 0.636 0.636 weight 1.000 ! spec=Expt_92, no=284, id=1642, vol=4.119459e+05
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    5 and name  HD2) 3.069 0.844 0.844 weight 1.000 ! spec=Expt_92, no=286, id=1643, vol=1.146734e+04
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    5 and name  HD2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   27 and name  HB2) 2.269 0.644 0.644 weight 1.000 ! spec=Expt_92, no=287, id=1644, vol=3.076028e+05
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   27 and name  HB1) 2.249 0.632 0.632 weight 1.000 ! spec=Expt_92, no=288, id=1645, vol=3.557607e+05
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid   34 and name  HE1) 3.318 1.039 1.039 weight 1.000 ! spec=Expt_92, no=289, id=1646, vol=1.101588e+05
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid   34 and name  HE2)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid   27 and name  HE2) 3.809 1.058 1.058 weight 1.000 ! spec=Expt_92, no=290, id=1647, vol=1.188327e+05
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid   27 and name  HE1)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HB2) 3.363 1.331 1.331 weight 1.000 ! spec=Expt_92, no=292, id=1648, vol=5.553675e+04
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name  HB2)
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    5 and name  HD2) 3.811 1.053 1.053 weight 1.000 ! spec=Expt_92, no=293, id=1649, vol=4.769272e+04
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    5 and name  HD2)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   27 and name  HB2) 3.318 1.294 1.294 weight 1.000 ! spec=Expt_92, no=294, id=1650, vol=5.176045e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    2 and name  HD1) 3.320 1.296 1.296 weight 1.000 ! spec=Expt_92, no=295, id=1651, vol=6.343109e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name   HA) 3.401 1.446 1.446 weight 1.000 ! spec=Expt_92, no=296, id=1652, vol=5.411486e+04
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name   HA)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   27 and name   HA) 3.452 1.490 1.490 weight 1.000 ! spec=Expt_92, no=297, id=1653, vol=5.147738e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   27 and name   HA)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.538 1.311 1.311 weight 1.000 ! spec=Expt_92, no=339, id=1689, vol=1.048711e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HD2) 3.593 1.613 1.613 weight 1.000 ! spec=Expt_92, no=344, id=1694, vol=7.937079e+04
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name  HB3) 3.373 1.423 1.423 weight 1.000 ! spec=Expt_92, no=353, id=1702, vol=7.173912e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB1) 3.108 1.207 1.207 weight 1.000 ! spec=Expt_92, no=389, id=1733, vol=7.329957e+04
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HA) 3.194 1.275 1.275 weight 1.000 ! spec=Expt_92, no=424, id=1766, vol=9.104601e+04
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   27 and name   HA) 3.049 1.162 1.162 weight 1.000 ! spec=Expt_92, no=427, id=1769, vol=8.999567e+04
assign (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid   34 and name  HE1) 3.342 1.034 1.034 weight 1.000 ! spec=Expt_92, no=467, id=1806, vol=8.518536e+04
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid   34 and name  HE2)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    0 and name  HA1) 3.315 0.613 0.613 weight 1.000 ! spec=Expt_92, no=470, id=1809, vol=1.113818e+05
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    0 and name  HA3)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    0 and name  HA1)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    0 and name  HA3)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name   HB) 2.896 0.908 0.908 weight 1.000 ! spec=Expt_92, no=474, id=1812, vol=1.900055e+05
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name   HB) 2.696 0.908 0.908 weight 1.000 ! spec=Expt_92, no=475, id=1813, vol=1.925165e+05
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name   HA) 2.253 0.527 0.527 weight 1.000 ! spec=Expt_92, no=479, id=1817, vol=5.720189e+05
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name   HA) 2.853 0.527 0.527 weight 1.000 ! spec=Expt_92, no=480, id=1818, vol=3.517539e+05
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HB2) 2.794 0.976 0.976 weight 1.000 ! spec=Expt_92, no=491, id=1829, vol=1.437031e+05
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name   HA) 2.658 0.883 0.883 weight 1.000 ! spec=Expt_92, no=516, id=1852, vol=2.069922e+05
assign (segid "   A" and resid    0 and name  HA1) (segid "   A" and resid    1 and name   HA) 2.242 0.379 0.379 weight 1.000 ! spec=Expt_92, no=526, id=1861, vol=5.917028e+05
    or (segid "   A" and resid    0 and name  HA2) (segid "   A" and resid    1 and name   HA)
    or (segid "   A" and resid    0 and name  HA3) (segid "   A" and resid    1 and name   HA)
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    1 and name   HA) 2.364 0.699 0.699 weight 1.000 ! spec=Expt_92, no=528, id=1863, vol=2.950615e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid    2 and name  HD1) 4.005 1.205 1.205 weight 1.000 ! spec=Expt_92, no=536, id=1864, vol=8.579360e+04
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HB2) 2.451 0.751 0.751 weight 1.000 ! spec=Expt_92, no=539, id=1871, vol=2.650019e+05
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name   HA) 2.769 0.958 0.958 weight 1.000 ! spec=Expt_92, no=554, id=1882, vol=1.422875e+05
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   20 and name   HA) 2.714 0.921 0.921 weight 1.000 ! spec=Expt_92, no=562, id=1890, vol=1.450704e+05
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   21 and name  HB2) 2.756 0.950 0.950 weight 1.000 ! spec=Expt_92, no=573, id=1901, vol=1.343226e+05
assign (segid "   A" and resid   30 and name  HG1) (segid "   A" and resid   27 and name   HA) 3.805 1.205 1.205 weight 1.000 ! spec=Expt_92, no=575, id=1903, vol=8.839145e+04
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   30 and name  HB1) 3.012 1.134 1.134 weight 1.000 ! spec=Expt_92, no=581, id=1909, vol=8.382205e+04
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name   HA) 2.704 0.914 0.914 weight 1.000 ! spec=Expt_92, no=585, id=1912, vol=1.851964e+05
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name   HA) 2.604 0.848 0.848 weight 1.000 ! spec=Expt_92, no=587, id=1914, vol=2.146552e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   26 and name   HA) 2.805 0.848 0.848 weight 1.000 ! spec=Expt_92, no=589, id=1916, vol=2.448948e+05
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB1) 2.498 0.660 0.660 weight 1.000 ! spec=Expt_92, no=596, id=1923, vol=4.567889e+05
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 2.874 1.032 1.032 weight 1.000 ! spec=Expt_92, no=606, id=1930, vol=1.174508e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB1) 2.787 0.971 0.971 weight 1.000 ! spec=Expt_92, no=609, id=1931, vol=1.131124e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HA) 1.906 0.454 0.454 weight 1.000 ! spec=Expt_92, no=624, id=1940, vol=6.778756e+05
    or (segid "   A" and resid   26 and name  HB3) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD22) 2.943 1.083 1.083 weight 1.000 ! spec=Expt_92, no=630, id=1946, vol=1.346227e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name HD21) 2.659 0.638 0.638 weight 1.000 ! spec=Expt_92, no=631, id=1947, vol=2.570960e+05
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name HD22) 2.827 0.999 0.999 weight 1.000 ! spec=Expt_92, no=636, id=1951, vol=7.693847e+04
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name HD21)
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name HD12) 3.566 1.175 1.175 weight 1.000 ! spec=Expt_92, no=637, id=1952, vol=1.278670e+05
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   31 and name HD13) 2.533 0.802 0.802 weight 1.000 ! spec=Expt_92, no=642, id=1957, vol=1.106899e+05
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   34 and name  HB1) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HG2) 2.967 1.100 1.100 weight 1.000 ! spec=Expt_92, no=644, id=1959, vol=7.586076e+04
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name  HG1)
assign (segid "   A" and resid    3 and name  HE2) (segid "   A" and resid    3 and name  HB1) 2.965 0.833 0.833 weight 1.000 ! spec=Expt_92, no=646, id=1960, vol=7.878574e+05
    or (segid "   A" and resid    3 and name  HE2) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid    3 and name  HE1) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    3 and name  HE1) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    7 and name  HE1) 2.290 0.655 0.655 weight 1.000 ! spec=Expt_92, no=648, id=1962, vol=4.445456e+05
    or (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    7 and name  HE2)
    or (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name  HE2)
    or (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name  HE1)
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name  HB2) 2.842 0.746 0.746 weight 1.000 ! spec=Expt_92, no=649, id=1963, vol=2.169365e+05
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name  HB1) 2.000 0.500 0.500 weight 1.000 ! spec=Expt_92, no=654, id=1967, vol=5.381577e+05
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name  HB1) 1.984 0.492 0.492 weight 1.000 ! spec=Expt_92, no=655, id=1968, vol=5.159976e+05
assign (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    8 and name  HB1) 2.154 0.580 0.580 weight 1.000 ! spec=Expt_92, no=660, id=1973, vol=3.666498e+05
assign (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   15 and name  HG1) 2.578 0.831 0.831 weight 1.000 ! spec=Expt_92, no=662, id=1975, vol=2.014660e+05
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HB2) 2.996 1.122 1.122 weight 1.000 ! spec=Expt_92, no=663, id=1976, vol=2.432133e+05
assign (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   14 and name  HB1) 2.240 0.627 0.627 weight 1.000 ! spec=Expt_92, no=664, id=1977, vol=4.320688e+05
assign (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    8 and name  HB2) 2.716 0.922 0.922 weight 1.000 ! spec=Expt_92, no=666, id=1979, vol=3.144946e+05
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name  HB2) 1.930 0.466 0.466 weight 1.000 ! spec=Expt_92, no=668, id=1981, vol=4.156566e+05
assign (segid "   A" and resid   23 and name  HG2) (segid "   A" and resid   23 and name  HG1) 2.151 0.578 0.578 weight 1.000 ! spec=Expt_92, no=679, id=1987, vol=3.922206e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HD1) 2.883 0.900 0.900 weight 1.000 ! spec=Expt_92, no=690, id=1995, vol=2.063724e+05
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HD2)
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HD1)
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HD2)
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HB2) 2.534 0.802 0.802 weight 1.000 ! spec=Expt_92, no=691, id=1996, vol=1.805702e+05
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HB1) 3.175 1.260 1.260 weight 1.000 ! spec=Expt_92, no=697, id=2001, vol=1.353982e+05
assign (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name  HB2) 2.109 0.556 0.556 weight 1.000 ! spec=Expt_92, no=704, id=2004, vol=2.642845e+05
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD21) 2.174 0.591 0.591 weight 1.000 ! spec=Expt_92, no=705, id=2005, vol=2.579052e+05
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD22) 2.861 0.584 0.584 weight 1.000 ! spec=Expt_92, no=710, id=2009, vol=2.589929e+05
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD21)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD12) 2.820 0.461 0.461 weight 1.000 ! spec=Expt_92, no=711, id=2010, vol=4.952784e+05
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   24 and name  HB1) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name HD13) 2.272 0.486 0.486 weight 1.000 ! spec=Expt_92, no=712, id=2011, vol=3.926324e+05
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   17 and name HD21) 2.897 0.404 0.404 weight 1.000 ! spec=Expt_92, no=713, id=2012, vol=7.328633e+05
    or (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   17 and name HD22)
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   17 and name HD21)
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   17 and name HD22)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   17 and name HD21)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   17 and name HD23)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   17 and name HD22)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name HD13) 2.605 0.503 0.503 weight 1.000 ! spec=Expt_92, no=714, id=2013, vol=8.901027e+05
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HG2) 2.945 1.084 1.084 weight 1.000 ! spec=Expt_92, no=716, id=2015, vol=1.551794e+05
assign (segid "   A" and resid   16 and name  HG1) (segid "   A" and resid   16 and name  HB1) 2.526 0.797 0.797 weight 1.000 ! spec=Expt_92, no=721, id=2019, vol=1.446095e+05
assign (segid "   A" and resid   16 and name  HG2) (segid "   A" and resid   16 and name  HB1) 2.750 0.945 0.945 weight 1.000 ! spec=Expt_92, no=722, id=2020, vol=1.129616e+05
assign (segid "   A" and resid    2 and name  HB2) (segid "   A" and resid    2 and name  HG1) 2.549 0.812 0.812 weight 1.000 ! spec=Expt_92, no=723, id=2021, vol=2.607615e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HG2) 2.654 0.881 0.881 weight 1.000 ! spec=Expt_92, no=729, id=2024, vol=1.868269e+05
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HG2)
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HG1)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HB1) 2.030 0.515 0.515 weight 1.000 ! spec=Expt_92, no=744, id=2029, vol=4.422009e+05
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name  HB3) 2.118 0.561 0.561 weight 1.000 ! spec=Expt_92, no=751, id=2035, vol=5.428057e+05
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name  HB2)
assign (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name  HG1) 2.624 0.861 0.861 weight 1.000 ! spec=Expt_92, no=754, id=2038, vol=2.122857e+05
    or (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name  HG2)
    or (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   29 and name  HG2)
    or (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   29 and name  HG1)
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name HD22) 2.193 0.601 0.601 weight 1.000 ! spec=Expt_92, no=760, id=2044, vol=2.300234e+05
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   17 and name  HB1) 2.451 0.751 0.751 weight 1.000 ! spec=Expt_92, no=766, id=2048, vol=3.676691e+05
    or (segid "   A" and resid   17 and name HD23) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   27 and name  HB1) 2.124 0.564 0.564 weight 1.000 ! spec=Expt_92, no=776, id=2054, vol=2.597194e+05
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HB2) 3.902 1.003 1.003 weight 1.000 ! spec=Expt_92, no=782, id=2059, vol=7.117650e+04
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name HG22) 3.039 1.154 1.154 weight 1.000 ! spec=Expt_92, no=786, id=2062, vol=1.443970e+05
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name HG21)
assign (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid   24 and name   HA) 3.352 1.242 1.242 weight 1.000 ! spec=Expt_92, no=790, id=2064, vol=8.594135e+04
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB2) 2.916 1.063 1.063 weight 1.000 ! spec=Expt_92, no=807, id=2074, vol=1.215564e+05
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   18 and name   HA) 1.872 0.393 0.393 weight 1.000 ! spec=Expt_92, no=810, id=2076, vol=9.313545e+05
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   18 and name   HA)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   25 and name  HB3) (segid "   A" and resid   25 and name   HA) 1.874 0.394 0.394 weight 1.000 ! spec=Expt_92, no=811, id=2077, vol=9.428506e+05
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   33 and name  HB3) (segid "   A" and resid   33 and name   HA) 1.932 0.466 0.466 weight 1.000 ! spec=Expt_92, no=812, id=2078, vol=8.412884e+05
    or (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name   HA)
    or (segid "   A" and resid   33 and name  HB1) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   15 and name   HA) 2.815 0.458 0.458 weight 1.000 ! spec=Expt_92, no=814, id=2080, vol=6.705554e+05
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   15 and name   HA)
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   32 and name   HA) 1.793 0.402 0.402 weight 1.000 ! spec=Expt_92, no=815, id=2081, vol=9.207252e+05
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   32 and name  HB3) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   23 and name   HA) 2.807 0.555 0.555 weight 1.000 ! spec=Expt_92, no=816, id=2082, vol=4.277178e+05
    or (segid "   A" and resid   26 and name  HB3) (segid "   A" and resid   23 and name   HA)
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   12 and name   HA) 1.875 0.439 0.439 weight 1.000 ! spec=Expt_92, no=817, id=2083, vol=6.381197e+05
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name   HA)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HA)
assign (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   13 and name   HB) 1.835 0.421 0.421 weight 1.000 ! spec=Expt_92, no=818, id=2084, vol=5.712303e+05
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   13 and name   HB)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   13 and name   HB)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG22) 1.920 0.461 0.461 weight 1.000 ! spec=Expt_92, no=819, id=2085, vol=5.755819e+05
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name HG21)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB1) 2.527 0.798 0.798 weight 1.000 ! spec=Expt_92, no=833, id=2092, vol=2.209630e+05
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name   HA) 1.815 0.368 0.368 weight 1.000 ! spec=Expt_92, no=835, id=2093, vol=1.114960e+06
    or (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   19 and name  HB3) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid   24 and name HD12) 2.833 0.623 0.623 weight 1.000 ! spec=Expt_92, no=837, id=2095, vol=1.198678e+05
    or (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid   24 and name HD13)
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   14 and name  HG1) (segid "   A" and resid   13 and name   HA) 4.432 1.055 1.055 weight 1.000 ! spec=Expt_92, no=872, id=2121, vol=7.804245e+04
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD12) 1.949 0.475 0.475 weight 1.000 ! spec=Expt_92, no=878, id=2127, vol=4.390124e+05
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD13) 1.966 0.483 0.483 weight 1.000 ! spec=Expt_92, no=879, id=2128, vol=4.431155e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD11) 1.878 0.441 0.441 weight 1.000 ! spec=Expt_92, no=881, id=2130, vol=4.872284e+05
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD13)
assign (segid "   A" and resid   21 and name  HG1) (segid "   A" and resid   21 and name   HA) 3.044 1.158 1.158 weight 1.000 ! spec=Expt_92, no=887, id=2135, vol=8.505551e+04
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    8 and name  HB1) 3.792 1.797 1.797 weight 1.000 ! spec=Expt_92, no=892, id=2139, vol=6.230124e+04
assign (segid "   A" and resid   16 and name  HG1) (segid "   A" and resid   16 and name  HE1) 2.774 0.962 0.962 weight 1.000 ! spec=Expt_92, no=897, id=2141, vol=1.676446e+05
    or (segid "   A" and resid   16 and name  HG1) (segid "   A" and resid   16 and name  HE2)
assign (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   21 and name  HG1) 2.835 1.004 1.004 weight 1.000 ! spec=Expt_92, no=904, id=2144, vol=1.208259e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   23 and name  HG1) 3.106 1.206 1.206 weight 1.000 ! spec=Expt_92, no=905, id=2145, vol=1.303664e+05
    or (segid "   A" and resid   23 and name  HB1) (segid "   A" and resid   23 and name  HG1)
assign (segid "   A" and resid   28 and name  HG2) (segid "   A" and resid   28 and name  HB1) 3.373 1.422 1.422 weight 1.000 ! spec=Expt_92, no=910, id=2147, vol=1.104412e+05
assign (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name  HB2) 3.080 1.186 1.186 weight 1.000 ! spec=Expt_92, no=916, id=2149, vol=6.684745e+04
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name  HB2)
assign (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HG2) 3.163 1.251 1.251 weight 1.000 ! spec=Expt_92, no=921, id=2153, vol=6.933481e+04
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid    2 and name  HG1) 4.026 1.736 1.736 weight 1.000 ! spec=Expt_92, no=923, id=2155, vol=4.688465e+04
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid    2 and name  HG2) 3.839 1.479 1.479 weight 1.000 ! spec=Expt_92, no=927, id=2156, vol=5.557493e+04
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB2) 3.330 1.386 1.386 weight 1.000 ! spec=Expt_92, no=928, id=2157, vol=8.216104e+04
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD22) 2.908 1.057 1.057 weight 1.000 ! spec=Expt_92, no=929, id=2158, vol=6.607455e+04
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD21)
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name HD23)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    4 and name  HG1) 3.429 1.470 1.470 weight 1.000 ! spec=Expt_92, no=933, id=2160, vol=4.058024e+04
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    4 and name  HG1)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    4 and name  HG2)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    4 and name  HG2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HG1) 4.313 1.326 1.326 weight 1.000 ! spec=Expt_92, no=934, id=2161, vol=3.939864e+04
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HG2)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    2 and name  HB1) 3.519 1.548 1.548 weight 1.000 ! spec=Expt_92, no=936, id=2163, vol=4.605911e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   28 and name   HA) 3.422 1.464 1.464 weight 1.000 ! spec=Expt_92, no=937, id=2164, vol=3.999925e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   28 and name   HA)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HD1) 3.743 1.751 1.751 weight 1.000 ! spec=Expt_92, no=945, id=2171, vol=4.992179e+04
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG1) 4.359 1.375 1.375 weight 1.000 ! spec=Expt_92, no=953, id=2176, vol=3.904532e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name HD12) 3.562 1.586 1.586 weight 1.000 ! spec=Expt_92, no=956, id=2179, vol=5.234683e+04
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   23 and name  HB2) 3.500 1.531 1.531 weight 1.000 ! spec=Expt_92, no=959, id=2181, vol=4.805271e+04
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   23 and name  HB2)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   21 and name  HB2) 4.567 1.069 1.069 weight 1.000 ! spec=Expt_92, no=960, id=2182, vol=4.442895e+04
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid   20 and name  HE2) 3.170 1.256 1.256 weight 1.000 ! spec=Expt_92, no=963, id=2183, vol=5.122432e+04
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid   20 and name  HE1)
assign (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid   20 and name  HE2) 3.439 1.478 1.478 weight 1.000 ! spec=Expt_92, no=967, id=2184, vol=4.069393e+04
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid   20 and name  HE1)
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid   20 and name  HE2)
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid   20 and name  HE1)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   19 and name  HB2) 2.993 1.120 1.120 weight 1.000 ! spec=Expt_92, no=974, id=2188, vol=6.272842e+04
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   19 and name  HB3)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   28 and name  HG2) 4.080 1.182 1.182 weight 1.000 ! spec=Expt_92, no=980, id=2192, vol=2.729561e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   28 and name  HG2)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   20 and name  HD1) 4.162 2.166 2.166 weight 1.000 ! spec=Expt_92, no=982, id=2194, vol=1.861687e+04
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   20 and name  HD1) 3.684 1.697 1.697 weight 1.000 ! spec=Expt_92, no=983, id=2195, vol=3.145840e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   27 and name  HE2) 4.136 1.138 1.138 weight 1.000 ! spec=Expt_92, no=984, id=2196, vol=1.850027e+04
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   27 and name  HE1)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   33 and name   HN) 3.856 1.858 1.858 weight 1.000 ! spec=Expt_92, no=988, id=2200, vol=3.165194e+04
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name   HA) 4.034 2.034 2.034 weight 1.000 ! spec=Expt_92, no=990, id=2201, vol=2.446945e+04
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HA) 4.469 2.496 2.496 weight 1.000 ! spec=Expt_92, no=991, id=2202, vol=3.246854e+04
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   27 and name   HA) 3.911 1.912 1.912 weight 1.000 ! spec=Expt_92, no=992, id=2203, vol=2.677730e+04
!assign (segid "   A" and resid   11 and name HD21) (segid "   A" and resid   11 and name   HA) 4.620 2.667 2.667 weight 1.000 ! spec=Expt_92, no=993, id=2204, vol=2.292777e+04
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   27 and name   HA) 3.884 1.886 1.886 weight 1.000 ! spec=Expt_92, no=996, id=2206, vol=3.280647e+04
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name   HA) 3.938 1.938 1.938 weight 1.000 ! spec=Expt_92, no=999, id=2208, vol=2.556042e+04
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   27 and name  HB2) 4.471 2.499 2.499 weight 1.000 ! spec=Expt_92, no=1001, id=2209, vol=2.229682e+04
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HG2) 4.130 1.132 1.132 weight 1.000 ! spec=Expt_92, no=1003, id=2211, vol=4.015502e+04
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name HD11) 3.942 1.942 1.942 weight 1.000 ! spec=Expt_92, no=1005, id=2213, vol=3.166347e+04
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name HD13)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   11 and name   HA) 5.032 1.165 1.165 weight 1.000 ! spec=Expt_92, no=1007, id=2215, vol=3.378447e+04
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   13 and name   HA) 3.778 1.084 1.084 weight 1.000 ! spec=Expt_92, no=1008, id=2216, vol=5.930684e+04
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name  HG1) 3.310 1.370 1.370 weight 1.000 ! spec=Expt_92, no=1016, id=2221, vol=5.164265e+04
assign (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   31 and name HD13) 3.305 1.054 1.054 weight 1.000 ! spec=Expt_92, no=1020, id=2224, vol=1.620881e+05
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   31 and name HD12)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   31 and name HD13)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   31 and name HD11)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   31 and name HD12)
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HB1) 3.961 1.061 1.061 weight 1.000 ! spec=Expt_92, no=1024, id=2226, vol=3.595348e+04
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HB1) 3.692 1.704 1.704 weight 1.000 ! spec=Expt_92, no=1026, id=2227, vol=3.532393e+04
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HG2) 2.540 0.807 0.807 weight 1.000 ! spec=Expt_92, no=1043, id=2232, vol=1.922422e+05
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid   34 and name  HD2) 3.510 1.209 1.209 weight 1.000 ! spec=Expt_92, no=1050, id=2236, vol=9.359555e+04
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   17 and name  HB1) 2.880 1.037 1.037 weight 1.000 ! spec=Expt_92, no=1055, id=2237, vol=8.137160e+04
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HG2) 3.988 1.088 1.088 weight 1.000 ! spec=Expt_92, no=1064, id=2242, vol=4.677882e+04
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   27 and name  HB1) 3.335 1.390 1.390 weight 1.000 ! spec=Expt_92, no=1066, id=2243, vol=4.522493e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid    2 and name  HG1) 4.212 1.218 1.218 weight 1.000 ! spec=Expt_92, no=1071, id=2245, vol=2.947336e+04
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid    2 and name  HG2)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   20 and name  HE2) 3.346 1.399 1.399 weight 1.000 ! spec=Expt_92, no=1073, id=2246, vol=3.662719e+04
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   20 and name  HE1)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 2.693 0.907 0.907 weight 1.000 ! spec=Expt_92, no=1077, id=2250, vol=1.918731e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name  HD2) 4.648 0.800 0.800 weight 1.000 ! spec=Expt_92, no=1080, id=2253, vol=3.139320e+04
# Restraints file 3: ambig.tbl




assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name   HA) 4.069 1.086 1.086 weight 1.000 ! spec=Expt_75, no=75, id=69, vol=1.194666e+07
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 2.863 1.025 1.025 weight 1.000 ! spec=Expt_75, no=160, id=144, vol=2.270370e+07
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   31 and name  HB1) 3.537 1.563 1.563 weight 1.000 ! spec=Expt_75, no=176, id=159, vol=2.204298e+07
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   12 and name  HB3) 3.511 1.010 1.010 weight 1.000 ! spec=Expt_75, no=233, id=205, vol=1.163153e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HG2)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name   HN) 2.975 1.106 1.106 weight 1.000 ! spec=Expt_75, no=303, id=265, vol=1.957140e+07
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name  HB2) 3.394 1.440 1.440 weight 1.000 ! spec=Expt_75, no=586, id=494, vol=1.733550e+07
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   21 and name  HB2)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB1) 3.483 1.517 1.517 weight 1.000 ! spec=Expt_75, no=593, id=501, vol=8.479377e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB2)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB3)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   33 and name  HB3)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HE1) 2.677 0.896 0.896 weight 1.000 ! spec=Expt_75, no=619, id=522, vol=2.568521e+07
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HE2)
    or (segid "   A" and resid    6 and name  HD1) (segid "   A" and resid    6 and name  HE1)
    or (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name  HE1)
    or (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   29 and name  HE2)
    or (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   29 and name  HE2)
assign (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HE2) 2.815 0.614 0.614 weight 1.000 ! spec=Expt_75, no=620, id=523, vol=1.054696e+08
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HE1)
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HE2)
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HE1)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   30 and name  HB1) 3.805 1.810 1.810 weight 1.000 ! spec=Expt_75, no=659, id=552, vol=7.875389e+06
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HB2)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   19 and name   HA) 2.827 0.798 0.798 weight 1.000 ! spec=Expt_75, no=686, id=571, vol=4.056853e+07
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HA) 2.348 0.689 0.689 weight 1.000 ! spec=Expt_75, no=689, id=574, vol=6.760959e+07
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HG1) 2.580 0.832 0.832 weight 1.000 ! spec=Expt_75, no=759, id=624, vol=3.544458e+07
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HG2) 2.948 1.086 1.086 weight 1.000 ! spec=Expt_75, no=791, id=652, vol=2.020573e+07
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid    1 and name  HB2) (segid "   A" and resid    2 and name  HD2) 3.914 1.915 1.915 weight 1.000 ! spec=Expt_75, no=804, id=662, vol=1.325368e+07
    or (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    2 and name  HD2)
    or (segid "   A" and resid    5 and name  HB1) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name  HB2) 3.633 1.650 1.650 weight 1.000 ! spec=Expt_75, no=822, id=674, vol=2.159927e+07
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name  HG2)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   15 and name  HB1) 3.742 1.750 1.750 weight 1.000 ! spec=Expt_75, no=835, id=680, vol=8.470174e+06
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name  HB1)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   29 and name  HB1)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HB2) 3.506 1.537 1.537 weight 1.000 ! spec=Expt_75, no=837, id=681, vol=1.466302e+07
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HB3)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HB2)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HB3)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2) 3.424 1.465 1.465 weight 1.000 ! spec=Expt_75, no=838, id=682, vol=1.656076e+07
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid    5 and name  HG2)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1) 3.527 1.555 1.555 weight 1.000 ! spec=Expt_75, no=839, id=683, vol=1.037307e+07
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HG2)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HG1)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HN) 2.371 0.703 0.703 weight 1.000 ! spec=Expt_91, no=41, id=722, vol=2.510995e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HN)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name   HA) 3.042 1.157 1.157 weight 1.000 ! spec=Expt_91, no=126, id=795, vol=6.624468e+04
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HA) 2.407 0.724 0.724 weight 1.000 ! spec=Expt_91, no=143, id=808, vol=2.611914e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HA) 2.382 0.709 0.709 weight 1.000 ! spec=Expt_91, no=150, id=813, vol=2.757912e+05
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   11 and name HD21) (segid "   A" and resid   11 and name  HB2) 2.515 0.791 0.791 weight 1.000 ! spec=Expt_91, no=171, id=831, vol=1.750677e+05
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name HD21)
assign (segid "   A" and resid   11 and name HD22) (segid "   A" and resid   11 and name  HB2) 3.610 1.629 1.629 weight 1.000 ! spec=Expt_91, no=172, id=832, vol=5.940589e+04
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name HD22)
assign (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   20 and name  HD1) 3.328 1.223 1.223 weight 1.000 ! spec=Expt_91, no=176, id=836, vol=8.439815e+04
    or (segid "   A" and resid    5 and name  HB2) (segid "   A" and resid   20 and name  HD2)
    or (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   20 and name  HD1)
    or (segid "   A" and resid   21 and name  HG2) (segid "   A" and resid   20 and name  HD2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name  HB1) 3.379 1.427 1.427 weight 1.000 ! spec=Expt_91, no=184, id=844, vol=5.416359e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HG1) 3.773 1.780 1.780 weight 1.000 ! spec=Expt_91, no=211, id=868, vol=3.732030e+04
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HG2)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HG1)
assign (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    3 and name   HN) 2.112 0.558 0.558 weight 1.000 ! spec=Expt_91, no=214, id=870, vol=5.186325e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB2)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.462 0.758 0.758 weight 1.000 ! spec=Expt_91, no=224, id=880, vol=2.448831e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 2.658 0.883 0.883 weight 1.000 ! spec=Expt_91, no=225, id=881, vol=1.593623e+05
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB1)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1) 3.253 1.322 1.322 weight 1.000 ! spec=Expt_91, no=228, id=883, vol=7.397177e+04
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid    5 and name  HG2)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB1) 3.340 1.395 1.395 weight 1.000 ! spec=Expt_91, no=242, id=897, vol=1.051508e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HB2)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HB3)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name  HB3) 3.530 1.557 1.557 weight 1.000 ! spec=Expt_91, no=253, id=908, vol=3.409637e+04
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG1) 3.531 1.558 1.558 weight 1.000 ! spec=Expt_91, no=285, id=933, vol=4.689361e+04
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG2)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   19 and name  HB2)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   19 and name  HB3)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB1) 2.990 1.117 1.117 weight 1.000 ! spec=Expt_91, no=297, id=943, vol=7.369129e+04
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.299 1.360 1.360 weight 1.000 ! spec=Expt_91, no=320, id=964, vol=5.172994e+04
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   28 and name   HN)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HG2) 3.651 1.666 1.666 weight 1.000 ! spec=Expt_91, no=356, id=990, vol=4.166069e+04
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HG1)
    or (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   10 and name   HN)
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   10 and name   HN)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   10 and name   HN)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 2.401 0.720 0.720 weight 1.000 ! spec=Expt_91, no=409, id=1026, vol=2.385314e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB1) 3.331 1.387 1.387 weight 1.000 ! spec=Expt_91, no=410, id=1027, vol=5.863196e+04
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name  HG1)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.449 0.749 0.749 weight 1.000 ! spec=Expt_91, no=475, id=1081, vol=2.339313e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HA) 2.374 0.705 0.705 weight 1.000 ! spec=Expt_91, no=555, id=1149, vol=2.599482e+05
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HB1)
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid    0 and name  HA1) (segid "   A" and resid    1 and name   HA) 2.807 0.609 0.609 weight 1.000 ! spec=Expt_91, no=580, id=1160, vol=3.284774e+05
    or (segid "   A" and resid    0 and name  HA2) (segid "   A" and resid    1 and name   HA)
    or (segid "   A" and resid    0 and name  HA3) (segid "   A" and resid    1 and name   HA)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    0 and name  HA1)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    0 and name  HA3)
assign (segid "   A" and resid    0 and name  HA1) (segid "   A" and resid    1 and name   HA) 2.860 0.639 0.639 weight 1.000 ! spec=Expt_91, no=581, id=1161, vol=2.475368e+05
    or (segid "   A" and resid    0 and name  HA2) (segid "   A" and resid    1 and name   HA)
    or (segid "   A" and resid    0 and name  HA3) (segid "   A" and resid    1 and name   HA)
    or (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    0 and name  HA1)
    or (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    0 and name  HA2)
    or (segid "   A" and resid    1 and name  HD1) (segid "   A" and resid    0 and name  HA3)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   20 and name  HB1) 2.885 0.711 0.711 weight 1.000 ! spec=Expt_91, no=603, id=1174, vol=2.414560e+05
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name   HA) 2.234 0.624 0.624 weight 1.000 ! spec=Expt_91, no=624, id=1194, vol=4.121786e+05
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HA) 2.849 0.690 0.690 weight 1.000 ! spec=Expt_91, no=626, id=1196, vol=2.754663e+05
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HB3) 2.834 0.802 0.802 weight 1.000 ! spec=Expt_91, no=668, id=1217, vol=1.861698e+05
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HB1)
    or (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   32 and name  HB3) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB1) 2.879 0.831 0.831 weight 1.000 ! spec=Expt_91, no=677, id=1224, vol=1.530349e+05
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    3 and name  HE2) (segid "   A" and resid    3 and name  HB1) 2.835 1.017 1.017 weight 1.000 ! spec=Expt_91, no=697, id=1240, vol=6.463863e+05
    or (segid "   A" and resid    3 and name  HE2) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid    3 and name  HE1) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    3 and name  HE1) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid    6 and name  HE1) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name  HD1)
assign (segid "   A" and resid   14 and name  HG2) (segid "   A" and resid   14 and name  HB2) 1.954 0.477 0.477 weight 1.000 ! spec=Expt_91, no=708, id=1250, vol=7.231749e+05
    or (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   15 and name  HB1)
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HD2) 2.543 0.808 0.808 weight 1.000 ! spec=Expt_91, no=727, id=1266, vol=1.889207e+05
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HD1) 2.480 0.769 0.769 weight 1.000 ! spec=Expt_91, no=728, id=1267, vol=2.109142e+05
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HD2)
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HD1)
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HD2)
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HB2) 2.321 0.673 0.673 weight 1.000 ! spec=Expt_91, no=733, id=1272, vol=2.656355e+05
    or (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HD1)
    or (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HD2)
assign (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HB2) 2.617 0.856 0.856 weight 1.000 ! spec=Expt_91, no=749, id=1279, vol=1.690793e+05
    or (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HD1)
    or (segid "   A" and resid    7 and name  HG1) (segid "   A" and resid    7 and name  HD2)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    3 and name   HN) 1.859 0.432 0.432 weight 1.000 ! spec=Expt_91, no=822, id=1333, vol=1.082163e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB2) 2.767 0.957 0.957 weight 1.000 ! spec=Expt_91, no=829, id=1335, vol=1.114613e+05
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB1)
    or (segid "   A" and resid    1 and name  HG1) (segid "   A" and resid    1 and name  HD1)
assign (segid "   A" and resid   23 and name  HB2) (segid "   A" and resid   23 and name   HA) 2.608 0.850 0.850 weight 1.000 ! spec=Expt_91, no=841, id=1343, vol=1.701224e+05
    or (segid "   A" and resid   23 and name  HG2) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HB1) 2.641 0.872 0.872 weight 1.000 ! spec=Expt_91, no=845, id=1346, vol=1.899471e+05
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB1)
assign (segid "   A" and resid    4 and name  HE2) (segid "   A" and resid    4 and name  HD1) 2.217 0.614 0.614 weight 1.000 ! spec=Expt_91, no=855, id=1352, vol=3.921586e+05
    or (segid "   A" and resid    4 and name  HE2) (segid "   A" and resid    4 and name  HD2)
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    4 and name  HD2)
    or (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    7 and name  HE2)
    or (segid "   A" and resid    7 and name  HD2) (segid "   A" and resid    7 and name  HE2)
    or (segid "   A" and resid    7 and name  HD1) (segid "   A" and resid    7 and name  HE1)
assign (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   14 and name  HD2) 2.823 0.996 0.996 weight 1.000 ! spec=Expt_91, no=856, id=1353, vol=1.288346e+05
    or (segid "   A" and resid   17 and name HD23) (segid "   A" and resid   14 and name  HD2)
    or (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   14 and name  HD2)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD22)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD21)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HD23)
assign (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid   12 and name  HB3) 3.295 1.357 1.357 weight 1.000 ! spec=Expt_91, no=870, id=1364, vol=4.558400e+04
    or (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name  HB2) 3.728 1.737 1.737 weight 1.000 ! spec=Expt_91, no=881, id=1372, vol=3.687579e+04
    or (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name  HD1)
    or (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid   16 and name  HG1)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HD1) 2.867 0.889 0.889 weight 1.000 ! spec=Expt_92, no=10, id=1387, vol=1.773939e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HD2)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   27 and name  HD1)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid   27 and name  HD2)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   15 and name   HA) 2.581 0.833 0.833 weight 1.000 ! spec=Expt_92, no=118, id=1488, vol=2.874989e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   26 and name   HA) 3.045 1.159 1.159 weight 1.000 ! spec=Expt_92, no=138, id=1507, vol=1.203250e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HG2) 2.979 1.109 1.109 weight 1.000 ! spec=Expt_92, no=195, id=1559, vol=1.393238e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid   30 and name  HB1) 3.180 1.264 1.264 weight 1.000 ! spec=Expt_92, no=205, id=1569, vol=7.560326e+04
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.984 1.113 1.113 weight 1.000 ! spec=Expt_92, no=219, id=1582, vol=1.190833e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HB3)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HB2)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HB3)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name  HB3) 3.747 1.755 1.755 weight 1.000 ! spec=Expt_92, no=239, id=1602, vol=6.238414e+04
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HG2)
assign (segid "   A" and resid   32 and name  HB1) (segid "   A" and resid   33 and name   HN) 1.854 0.430 0.430 weight 1.000 ! spec=Expt_92, no=241, id=1604, vol=7.530371e+05
    or (segid "   A" and resid   32 and name  HB2) (segid "   A" and resid   33 and name   HN)
    or (segid "   A" and resid   32 and name  HB3) (segid "   A" and resid   33 and name   HN)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB3)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    3 and name  HB1) 4.023 1.380 1.380 weight 1.000 ! spec=Expt_92, no=255, id=1617, vol=6.033892e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    2 and name  HG1)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    2 and name  HG1)
assign (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid    4 and name  HB2) 3.199 1.280 1.280 weight 1.000 ! spec=Expt_92, no=258, id=1619, vol=5.748955e+04
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid   27 and name  HE2) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    1 and name  HB2) 3.385 1.349 1.349 weight 1.000 ! spec=Expt_92, no=262, id=1622, vol=1.061176e+05
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    1 and name  HB2)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    1 and name  HB1)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    1 and name  HB1)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    1 and name  HG1)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    1 and name  HG1)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid    7 and name  HB2) 3.158 1.246 1.246 weight 1.000 ! spec=Expt_92, no=266, id=1625, vol=5.663714e+04
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    4 and name  HD1) 4.413 1.456 1.456 weight 1.000 ! spec=Expt_92, no=269, id=1628, vol=5.305186e+04
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    4 and name  HD1)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    4 and name  HD2)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    4 and name  HD2)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    4 and name  HB2) 4.734 1.743 1.743 weight 1.000 ! spec=Expt_92, no=270, id=1629, vol=6.242530e+04
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    4 and name  HB2)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid   24 and name  HB2)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HD1) 2.142 0.574 0.574 weight 1.000 ! spec=Expt_92, no=285, id=1643, vol=5.084888e+05
    or (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HD2)
    or (segid "   A" and resid   34 and name  HD2) (segid "   A" and resid   34 and name  HB1)
    or (segid "   A" and resid   34 and name  HD1) (segid "   A" and resid   34 and name  HB1)
assign (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid   34 and name  HB1) 3.496 1.527 1.527 weight 1.000 ! spec=Expt_92, no=291, id=1648, vol=5.645777e+04
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid   34 and name  HB1)
    or (segid "   A" and resid   34 and name  HE1) (segid "   A" and resid    2 and name  HD1)
    or (segid "   A" and resid   34 and name  HE2) (segid "   A" and resid    2 and name  HD1)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   31 and name   HN) 3.488 1.520 1.520 weight 1.000 ! spec=Expt_92, no=303, id=1659, vol=5.313092e+04
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB1) 2.652 0.879 0.879 weight 1.000 ! spec=Expt_92, no=333, id=1684, vol=1.828427e+05
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HG1) 3.811 1.816 1.816 weight 1.000 ! spec=Expt_92, no=343, id=1693, vol=6.865870e+04
    or (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   10 and name   HN)
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   10 and name   HN)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   10 and name   HN)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG22) 2.502 0.552 0.552 weight 1.000 ! spec=Expt_92, no=395, id=1739, vol=5.272625e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   25 and name   HN)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB3) 1.901 0.452 0.452 weight 1.000 ! spec=Expt_92, no=399, id=1743, vol=6.564069e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB3)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   17 and name  HB1) 2.895 1.048 1.048 weight 1.000 ! spec=Expt_92, no=402, id=1746, vol=1.270531e+05
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid    5 and name  HG2)
    or (segid "   A" and resid   20 and name  HD2) (segid "   A" and resid    5 and name  HG2)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   30 and name   HN) 2.856 0.950 0.950 weight 1.000 ! spec=Expt_92, no=418, id=1760, vol=1.923787e+05
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid   34 and name  HD2) 3.348 1.238 1.238 weight 1.000 ! spec=Expt_92, no=437, id=1779, vol=8.602876e+04
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid   34 and name  HD1)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid   34 and name  HD2)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid   34 and name  HD1)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA) 2.843 1.010 1.010 weight 1.000 ! spec=Expt_92, no=453, id=1793, vol=1.747499e+05
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name   HN)
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid   27 and name  HE2) 3.096 1.198 1.198 weight 1.000 ! spec=Expt_92, no=468, id=1807, vol=9.109360e+04
    or (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid   27 and name  HE1)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid   27 and name  HE2)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid   27 and name  HE1)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.239 0.626 0.626 weight 1.000 ! spec=Expt_92, no=497, id=1834, vol=6.908032e+05
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   14 and name   HA) 2.965 1.099 1.099 weight 1.000 ! spec=Expt_92, no=507, id=1844, vol=1.730203e+05
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid    0 and name  HA1) (segid "   A" and resid   34 and name   HA) 3.018 1.139 1.139 weight 1.000 ! spec=Expt_92, no=517, id=1853, vol=1.170251e+05
    or (segid "   A" and resid    0 and name  HA2) (segid "   A" and resid   34 and name   HA)
    or (segid "   A" and resid    0 and name  HA3) (segid "   A" and resid   34 and name   HA)
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   22 and name   HA)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB2) 2.429 0.738 0.738 weight 1.000 ! spec=Expt_92, no=559, id=1887, vol=3.101346e+05
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB1)
    or (segid "   A" and resid    1 and name  HD2) (segid "   A" and resid    1 and name  HG1)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   22 and name  HB1) 3.771 1.778 1.778 weight 1.000 ! spec=Expt_92, no=580, id=1908, vol=1.157584e+05
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name   HA) 2.956 1.093 1.093 weight 1.000 ! spec=Expt_92, no=595, id=1922, vol=3.091354e+05
    or (segid "   A" and resid    2 and name  HG2) (segid "   A" and resid    2 and name   HA)
    or (segid "   A" and resid    3 and name  HB2) (segid "   A" and resid    2 and name   HA)
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   14 and name   HA) 2.373 0.704 0.704 weight 1.000 ! spec=Expt_92, no=597, id=1924, vol=3.142373e+05
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name  HG2) 3.564 1.588 1.588 weight 1.000 ! spec=Expt_92, no=616, id=1934, vol=1.241713e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   17 and name HD11) 3.039 1.154 1.154 weight 1.000 ! spec=Expt_92, no=641, id=1956, vol=1.086706e+05
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   17 and name HD13)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   29 and name  HE1) (segid "   A" and resid   29 and name  HG1) 2.881 1.037 1.037 weight 1.000 ! spec=Expt_92, no=647, id=1961, vol=1.245584e+05
    or (segid "   A" and resid   29 and name  HE1) (segid "   A" and resid   29 and name  HG2)
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    4 and name  HD1)
    or (segid "   A" and resid    4 and name  HE1) (segid "   A" and resid    4 and name  HD2)
assign (segid "   A" and resid   17 and name HD21) (segid "   A" and resid    8 and name  HB2) 2.225 0.619 0.619 weight 1.000 ! spec=Expt_92, no=709, id=2008, vol=3.712451e+05
    or (segid "   A" and resid   17 and name HD23) (segid "   A" and resid    8 and name  HB2)
    or (segid "   A" and resid   17 and name HD22) (segid "   A" and resid    8 and name  HB2)
    or (segid "   A" and resid   17 and name HD21) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   17 and name HD23) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   17 and name HD22) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   12 and name  HB3) 2.814 0.790 0.790 weight 1.000 ! spec=Expt_92, no=718, id=2017, vol=2.352695e+05
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   16 and name  HG2)
assign (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    2 and name  HB2) 3.131 1.225 1.225 weight 1.000 ! spec=Expt_92, no=731, id=2025, vol=1.236395e+05
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   15 and name  HB1)
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   15 and name  HB1)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   15 and name  HB1)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   22 and name  HB1)
    or (segid "   A" and resid   25 and name  HB3) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid    2 and name  HB2)
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HG2) 2.720 0.925 0.925 weight 1.000 ! spec=Expt_92, no=747, id=2031, vol=1.643217e+05
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HG1)
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HG2)
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name  HB3) 2.822 0.511 0.511 weight 1.000 ! spec=Expt_92, no=753, id=2037, vol=9.058177e+05
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name  HB1)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   12 and name  HB2)
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD2)
    or (segid "   A" and resid   22 and name  HG2) (segid "   A" and resid   22 and name  HD1)
    or (segid "   A" and resid   22 and name  HG1) (segid "   A" and resid   22 and name  HD1)
assign (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   17 and name HD11) 2.865 0.586 0.586 weight 1.000 ! spec=Expt_92, no=770, id=2050, vol=4.890533e+05
    or (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   12 and name  HB3) (segid "   A" and resid   17 and name HD13)
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   17 and name HD13)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   17 and name HD13)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   17 and name HD11) 2.819 0.413 0.413 weight 1.000 ! spec=Expt_92, no=771, id=2051, vol=4.840283e+05
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid   17 and name HD13)
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD11)
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name HD13)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   14 and name  HB2) 3.717 1.727 1.727 weight 1.000 ! spec=Expt_92, no=784, id=2060, vol=8.627257e+04
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   23 and name  HB1)
assign (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name HG22) 2.933 1.075 1.075 weight 1.000 ! spec=Expt_92, no=792, id=2066, vol=1.662686e+05
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   14 and name  HD1) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   14 and name  HD2) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid    2 and name  HG2) (segid "   A" and resid    2 and name   HA) 3.042 1.156 1.156 weight 1.000 ! spec=Expt_92, no=821, id=2087, vol=2.387587e+05
    or (segid "   A" and resid    5 and name  HG2) (segid "   A" and resid    5 and name   HA)
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB1) 2.367 0.700 0.700 weight 1.000 ! spec=Expt_92, no=824, id=2089, vol=4.344984e+05
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HE2) 2.723 0.927 0.927 weight 1.000 ! spec=Expt_92, no=902, id=2143, vol=1.578642e+05
    or (segid "   A" and resid   22 and name  HD2) (segid "   A" and resid   22 and name  HE1)
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HE2)
    or (segid "   A" and resid   22 and name  HD1) (segid "   A" and resid   22 and name  HE1)
    or (segid "   A" and resid    6 and name  HD2) (segid "   A" and resid    6 and name  HE1)
assign (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid    8 and name   HA) 3.901 1.903 1.903 weight 1.000 ! spec=Expt_92, no=943, id=2169, vol=6.499029e+04
    or (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HD1) 3.442 1.481 1.481 weight 1.000 ! spec=Expt_92, no=946, id=2172, vol=7.333402e+04
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HD2)
assign (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid    8 and name   HA) 3.925 1.926 1.926 weight 1.000 ! spec=Expt_92, no=947, id=2173, vol=6.610611e+04
    or (segid "   A" and resid    9 and name  HA2) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid    5 and name  HG2) 3.942 1.943 1.943 weight 1.000 ! spec=Expt_92, no=954, id=2177, vol=4.617460e+04
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid    8 and name  HB2)
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   32 and name  HB1) 3.922 1.923 1.923 weight 1.000 ! spec=Expt_92, no=955, id=2178, vol=4.929151e+04
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   32 and name  HB2)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   32 and name  HB3)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   33 and name  HB3)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   33 and name  HB1)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name HD11) 3.696 1.707 1.707 weight 1.000 ! spec=Expt_92, no=958, id=2180, vol=3.367999e+04
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name HD12)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name HD13)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   24 and name HD12)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   24 and name HD11)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   24 and name HD13)
assign (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid    7 and name  HB1) 3.975 1.975 1.975 weight 1.000 ! spec=Expt_92, no=978, id=2191, vol=1.729813e+04
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid    7 and name  HB1)
    or (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid    7 and name  HD1)
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid    7 and name  HD1)
    or (segid "   A" and resid   20 and name  HE2) (segid "   A" and resid   24 and name  HB1)
    or (segid "   A" and resid   20 and name  HE1) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   19 and name   HA) 4.365 2.381 2.381 weight 1.000 ! spec=Expt_92, no=998, id=2207, vol=3.246163e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   20 and name  HB2) 4.646 2.698 2.698 weight 1.000 ! spec=Expt_92, no=1002, id=2210, vol=2.246663e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   27 and name  HB1)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HG1) 4.749 2.820 2.820 weight 1.000 ! spec=Expt_92, no=1004, id=2212, vol=2.517976e+04
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid    2 and name  HB1)
assign (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name  HB1) 4.149 2.151 2.151 weight 1.000 ! spec=Expt_92, no=1019, id=2223, vol=5.054628e+04
    or (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid    7 and name  HD1)
    or (segid "   A" and resid    8 and name  HD2) (segid "   A" and resid   16 and name  HG1)
assign (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    2 and name  HB2) 3.762 1.769 1.769 weight 1.000 ! spec=Expt_92, no=1033, id=2228, vol=6.010884e+04
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid    2 and name  HB2)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   23 and name  HB1)
    or (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HB2) 4.086 2.087 2.087 weight 1.000 ! spec=Expt_92, no=1038, id=2229, vol=4.620047e+04
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid    5 and name  HB1) 3.677 1.690 1.690 weight 1.000 ! spec=Expt_92, no=1040, id=2230, vol=5.446994e+04
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    1 and name  HB2)
    or (segid "   A" and resid    2 and name  HD1) (segid "   A" and resid    1 and name  HB1)
assign (segid "   A" and resid    2 and name  HG2) (segid "   A" and resid    2 and name  HD2) 3.205 1.284 1.284 weight 1.000 ! spec=Expt_92, no=1046, id=2233, vol=1.680125e+05
    or (segid "   A" and resid    5 and name  HG1) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    2 and name  HG2) 3.510 1.540 1.540 weight 1.000 ! spec=Expt_92, no=1069, id=2244, vol=5.602250e+04
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    2 and name  HG2)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid   27 and name  HD1) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid   27 and name  HD2) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HE2) 3.237 1.310 1.310 weight 1.000 ! spec=Expt_92, no=1074, id=2247, vol=1.135918e+05
    or (segid "   A" and resid    7 and name  HG2) (segid "   A" and resid    7 and name  HE1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name  HE1) 4.166 2.170 2.170 weight 1.000 ! spec=Expt_92, no=1079, id=2252, vol=3.937385e+04
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HE2)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HE1)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name  HD1)
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA1      ACE   0  15.910  -1.850   3.515
    2    H2   ACE   0           HA2      ACE   0  14.358  -1.990   2.692
    3    H3   ACE   0           HA3      ACE   0  15.675  -3.064   2.224
    4    HA   PRO   1           HA       PRO   1  13.474  -4.771   1.764
    5    HB2  PRO   1           HB2      PRO   1  12.440  -6.762   3.759
    6    HB3  PRO   1           HB1      PRO   1  12.710  -6.964   2.017
    7    HG2  PRO   1           HG2      PRO   1  14.395  -7.972   3.802
    8    HG3  PRO   1           HG1      PRO   1  14.955  -7.305   2.256
    9    HD2  PRO   1           HD2      PRO   1  15.245  -6.195   4.981
   10    HD3  PRO   1           HD1      PRO   1  16.230  -5.905   3.534
   11    HA   PRO   2           HA       PRO   2  10.291  -2.337   3.839
   12    HB2  PRO   2           HB2      PRO   2   9.296  -1.204   1.575
   13    HB3  PRO   2           HB1      PRO   2  10.775  -0.628   2.368
   14    HG2  PRO   2           HG2      PRO   2  10.455  -2.204  -0.100
   15    HG3  PRO   2           HG1      PRO   2  11.727  -1.062   0.364
   16    HD2  PRO   2           HD2      PRO   2  11.898  -3.863   0.446
   17    HD3  PRO   2           HD1      PRO   2  13.028  -2.718   1.194
   18    H    LYS   3           HN       LYS   3   8.112  -2.658   4.139
   19    HA   LYS   3           HA       LYS   3   7.105  -5.124   2.972
   20    HB2  LYS   3           HB2      LYS   3   5.397  -5.046   4.720
   21    HB3  LYS   3           HB1      LYS   3   6.999  -4.846   5.414
   22    HG2  LYS   3           HG2      LYS   3   6.646  -2.473   5.642
   23    HG3  LYS   3           HG1      LYS   3   5.085  -2.599   4.834
   24    HD2  LYS   3           HD2      LYS   3   4.284  -4.051   6.651
   25    HD3  LYS   3           HD1      LYS   3   5.840  -3.868   7.464
   26    HE2  LYS   3           HE2      LYS   3   5.476  -1.457   7.614
   27    HE3  LYS   3           HE1      LYS   3   3.925  -1.638   6.802
   28    HZ1  LYS   3           HZ1      LYS   3   3.160  -2.996   8.649
   29    HZ2  LYS   3           HZ2      LYS   3   3.659  -1.473   9.191
   30    HZ3  LYS   3           HZ3      LYS   3   4.652  -2.816   9.426
   31    H    LYS   4           HN       LYS   4   5.586  -5.231   1.464
   32    HA   LYS   4           HA       LYS   4   4.334  -2.812   0.499
   33    HB2  LYS   4           HB2      LYS   4   5.073  -4.509  -1.119
   34    HB3  LYS   4           HB1      LYS   4   4.017  -5.703  -0.368
   35    HG2  LYS   4           HG2      LYS   4   2.062  -4.340  -1.013
   36    HG3  LYS   4           HG1      LYS   4   3.146  -3.214  -1.832
   37    HD2  LYS   4           HD2      LYS   4   3.886  -4.984  -3.327
   38    HD3  LYS   4           HD1      LYS   4   2.863  -6.147  -2.481
   39    HE2  LYS   4           HE2      LYS   4   1.860  -3.696  -3.931
   40    HE3  LYS   4           HE1      LYS   4   1.860  -5.329  -4.594
   41    HZ1  LYS   4           HZ1      LYS   4   0.407  -4.490  -2.143
   42    HZ2  LYS   4           HZ2      LYS   4   0.360  -6.023  -2.855
   43    HZ3  LYS   4           HZ3      LYS   4  -0.294  -4.691  -3.667
   44    HA   PRO   5           HA       PRO   5   0.884  -3.297   3.318
   45    HB2  PRO   5           HB2      PRO   5  -0.781  -1.530   2.007
   46    HB3  PRO   5           HB1      PRO   5   0.458  -1.051   3.183
   47    HG2  PRO   5           HG2      PRO   5   0.575  -1.034   0.211
   48    HG3  PRO   5           HG1      PRO   5   1.177   0.165   1.374
   49    HD2  PRO   5           HD2      PRO   5   2.844  -1.560   0.188
   50    HD3  PRO   5           HD1      PRO   5   3.066  -1.071   1.883
   51    H    LYS   6           HN       LYS   6  -1.115  -4.296   3.294
   52    HA   LYS   6           HA       LYS   6  -1.570  -6.100   1.139
   53    HB2  LYS   6           HB2      LYS   6  -3.137  -5.471   3.638
   54    HB3  LYS   6           HB1      LYS   6  -3.594  -6.735   2.501
   55    HG2  LYS   6           HG2      LYS   6  -1.500  -7.883   2.898
   56    HG3  LYS   6           HG1      LYS   6  -0.979  -6.595   3.985
   57    HD2  LYS   6           HD2      LYS   6  -2.728  -7.119   5.536
   58    HD3  LYS   6           HD1      LYS   6  -3.442  -8.275   4.410
   59    HE2  LYS   6           HE2      LYS   6  -0.711  -8.511   5.671
   60    HE3  LYS   6           HE1      LYS   6  -2.155  -9.384   6.185
   61    HZ1  LYS   6           HZ1      LYS   6  -0.800 -10.766   4.773
   62    HZ2  LYS   6           HZ2      LYS   6  -0.826  -9.609   3.540
   63    HZ3  LYS   6           HZ3      LYS   6  -2.251 -10.404   3.980
   64    H    LYS   7           HN       LYS   7  -2.798  -5.875  -0.571
   65    HA   LYS   7           HA       LYS   7  -4.163  -3.375  -1.027
   66    HB2  LYS   7           HB2      LYS   7  -2.786  -4.401  -2.797
   67    HB3  LYS   7           HB1      LYS   7  -3.838  -5.809  -2.795
   68    HG2  LYS   7           HG2      LYS   7  -5.719  -4.378  -3.504
   69    HG3  LYS   7           HG1      LYS   7  -4.602  -3.006  -3.596
   70    HD2  LYS   7           HD2      LYS   7  -4.917  -3.967  -5.803
   71    HD3  LYS   7           HD1      LYS   7  -3.261  -4.238  -5.259
   72    HE2  LYS   7           HE2      LYS   7  -3.864  -6.528  -4.597
   73    HE3  LYS   7           HE1      LYS   7  -5.511  -6.251  -5.162
   74    HZ1  LYS   7           HZ1      LYS   7  -4.659  -5.921  -7.389
   75    HZ2  LYS   7           HZ2      LYS   7  -4.182  -7.434  -6.797
   76    HZ3  LYS   7           HZ3      LYS   7  -3.072  -6.159  -6.849
   77    HA   PRO   8           HA       PRO   8  -8.119  -5.187   0.184
   78    HB2  PRO   8           HB2      PRO   8  -9.168  -2.528  -0.415
   79    HB3  PRO   8           HB1      PRO   8  -9.117  -3.376   1.137
   80    HG2  PRO   8           HG2      PRO   8  -7.625  -1.196   0.596
   81    HG3  PRO   8           HG1      PRO   8  -7.146  -2.465   1.736
   82    HD2  PRO   8           HD2      PRO   8  -6.202  -1.982  -1.048
   83    HD3  PRO   8           HD1      PRO   8  -5.305  -2.561   0.378
   84    H    GLY   9           HN       GLY   9  -9.554  -6.142  -1.158
   85    HA2  GLY   9           HA2      GLY   9  -9.292  -5.612  -3.989
   86    HA3  GLY   9           HA1      GLY   9 -10.207  -6.916  -3.252
   87    H    ASP  10           HN       ASP  10 -12.059  -6.634  -4.418
   88    HA   ASP  10           HA       ASP  10 -13.293  -4.044  -4.694
   89    HB2  ASP  10           HB2      ASP  10 -13.471  -5.659  -6.513
   90    HB3  ASP  10           HB1      ASP  10 -14.275  -6.806  -5.448
   91    H    ASN  11           HN       ASN  11 -13.323  -6.541  -2.401
   92    HA   ASN  11           HA       ASN  11 -15.983  -5.942  -1.391
   93    HB2  ASN  11           HB2      ASN  11 -13.862  -7.833  -0.350
   94    HB3  ASN  11           HB1      ASN  11 -15.477  -7.657   0.324
   95   HD21  ASN  11          HD21      ASN  11 -16.765  -7.307  -2.231
   96   HD22  ASN  11          HD22      ASN  11 -16.769  -8.853  -3.003
   97    H    ALA  12           HN       ALA  12 -13.810  -3.928  -1.371
   98    HA   ALA  12           HA       ALA  12 -14.028  -3.204   1.461
   99    HB1  ALA  12           HB1      ALA  12 -11.547  -2.923  -0.230
  100    HB2  ALA  12           HB2      ALA  12 -11.767  -4.028   1.127
  101    HB3  ALA  12           HB3      ALA  12 -11.751  -2.286   1.401
  102    H    THR  13           HN       THR  13 -13.878  -0.886   1.827
  103    HA   THR  13           HA       THR  13 -15.352   0.521  -0.189
  104    HB   THR  13           HB       THR  13 -15.317   2.400   1.447
  105    HG1  THR  13           HG1      THR  13 -14.436   1.942   3.524
  106   HG21  THR  13          HG21      THR  13 -17.093   0.708   1.464
  107   HG22  THR  13          HG22      THR  13 -16.755   1.324   3.081
  108   HG23  THR  13          HG23      THR  13 -16.150  -0.260   2.598
  109    HA   PRO  14           HA       PRO  14 -12.102   2.712  -2.307
  110    HB2  PRO  14           HB2      PRO  14 -13.806   5.119  -1.830
  111    HB3  PRO  14           HB1      PRO  14 -13.098   4.522  -3.346
  112    HG2  PRO  14           HG2      PRO  14 -15.657   4.194  -2.899
  113    HG3  PRO  14           HG1      PRO  14 -14.695   2.876  -3.605
  114    HD2  PRO  14           HD2      PRO  14 -15.695   3.171  -0.798
  115    HD3  PRO  14           HD1      PRO  14 -15.593   1.718  -1.811
  116    H    GLU  15           HN       GLU  15 -13.460   4.042   0.643
  117    HA   GLU  15           HA       GLU  15 -11.407   5.843   1.291
  118    HB2  GLU  15           HB2      GLU  15 -13.600   5.865   2.389
  119    HB3  GLU  15           HB1      GLU  15 -13.262   4.303   3.115
  120    HG2  GLU  15           HG2      GLU  15 -11.485   5.257   4.431
  121    HG3  GLU  15           HG1      GLU  15 -11.713   6.818   3.651
  122    H    LYS  16           HN       LYS  16 -11.678   2.378   1.656
  123    HA   LYS  16           HA       LYS  16  -9.400   2.200   3.403
  124    HB2  LYS  16           HB2      LYS  16 -11.307   0.570   3.447
  125    HB3  LYS  16           HB1      LYS  16 -10.775  -0.017   1.874
  126    HG2  LYS  16           HG2      LYS  16 -10.006  -1.458   3.699
  127    HG3  LYS  16           HG1      LYS  16  -8.658  -0.731   2.826
  128    HD2  LYS  16           HD2      LYS  16  -8.295  -0.700   5.251
  129    HD3  LYS  16           HD1      LYS  16  -8.381   0.929   4.585
  130    HE2  LYS  16           HE2      LYS  16 -10.765   1.024   5.308
  131    HE3  LYS  16           HE1      LYS  16 -10.546  -0.542   6.087
  132    HZ1  LYS  16           HZ1      LYS  16  -9.045   1.935   6.735
  133    HZ2  LYS  16           HZ2      LYS  16  -8.838   0.435   7.486
  134    HZ3  LYS  16           HZ3      LYS  16 -10.298   1.271   7.659
  135    H    LEU  17           HN       LEU  17 -10.103   1.895  -0.007
  136    HA   LEU  17           HA       LEU  17  -7.551   1.016  -0.836
  137    HB2  LEU  17           HB2      LEU  17  -9.839   2.364  -2.189
  138    HB3  LEU  17           HB1      LEU  17  -8.286   2.339  -3.002
  139    HG   LEU  17           HG       LEU  17  -9.609   0.531  -3.838
  140   HD11  LEU  17          HD11      LEU  17  -7.549  -0.554  -1.927
  141   HD12  LEU  17          HD12      LEU  17  -7.230   0.087  -3.537
  142   HD13  LEU  17          HD13      LEU  17  -8.193  -1.376  -3.347
  143   HD21  LEU  17          HD21      LEU  17 -10.500  -1.240  -2.432
  144   HD22  LEU  17          HD22      LEU  17 -11.181   0.323  -1.982
  145   HD23  LEU  17          HD23      LEU  17  -9.917  -0.407  -0.991
  146    H    ALA  18           HN       ALA  18  -8.927   4.185  -0.214
  147    HA   ALA  18           HA       ALA  18  -6.862   5.793  -1.165
  148    HB1  ALA  18           HB1      ALA  18  -9.038   6.648  -0.442
  149    HB2  ALA  18           HB2      ALA  18  -7.715   7.489   0.365
  150    HB3  ALA  18           HB3      ALA  18  -8.634   6.255   1.228
  151    H    ALA  19           HN       ALA  19  -7.329   4.248   1.965
  152    HA   ALA  19           HA       ALA  19  -4.996   5.174   3.209
  153    HB1  ALA  19           HB1      ALA  19  -5.302   3.334   4.757
  154    HB2  ALA  19           HB2      ALA  19  -6.433   2.566   3.644
  155    HB3  ALA  19           HB3      ALA  19  -6.851   4.103   4.402
  156    H    TYR  20           HN       TYR  20  -5.640   2.319   1.228
  157    HA   TYR  20           HA       TYR  20  -3.096   1.142   1.469
  158    HB2  TYR  20           HB2      TYR  20  -4.909  -0.176   0.606
  159    HB3  TYR  20           HB1      TYR  20  -5.154   0.946  -0.726
  160    HD1  TYR  20           HD1      TYR  20  -4.188   0.485  -2.785
  161    HD2  TYR  20           HD2      TYR  20  -2.544  -1.291   0.706
  162    HE1  TYR  20           HE1      TYR  20  -2.655  -0.838  -4.187
  163    HE2  TYR  20           HE2      TYR  20  -1.007  -2.619  -0.682
  164    HH   TYR  20           HH       TYR  20  -0.558  -2.023  -4.025
  165    H    GLU  21           HN       GLU  21  -4.423   3.374  -0.944
  166    HA   GLU  21           HA       GLU  21  -2.166   3.436  -2.606
  167    HB2  GLU  21           HB2      GLU  21  -4.259   5.558  -2.106
  168    HB3  GLU  21           HB1      GLU  21  -3.065   5.636  -3.391
  169    HG2  GLU  21           HG2      GLU  21  -4.006   3.490  -4.278
  170    HG3  GLU  21           HG1      GLU  21  -5.293   3.637  -3.079
  171    H    LYS  22           HN       LYS  22  -2.921   5.150   0.346
  172    HA   LYS  22           HA       LYS  22  -0.776   7.011   0.127
  173    HB2  LYS  22           HB2      LYS  22  -2.795   7.407   1.511
  174    HB3  LYS  22           HB1      LYS  22  -2.269   6.134   2.603
  175    HG2  LYS  22           HG2      LYS  22  -1.733   8.325   3.494
  176    HG3  LYS  22           HG1      LYS  22  -0.268   7.414   3.141
  177    HD2  LYS  22           HD2      LYS  22  -0.009   9.716   2.415
  178    HD3  LYS  22           HD1      LYS  22  -0.025   8.639   1.021
  179    HE2  LYS  22           HE2      LYS  22  -2.394   9.192   0.644
  180    HE3  LYS  22           HE1      LYS  22  -2.344  10.294   2.018
  181    HZ1  LYS  22           HZ1      LYS  22  -2.079  11.504  -0.025
  182    HZ2  LYS  22           HZ2      LYS  22  -0.771  10.538  -0.488
  183    HZ3  LYS  22           HZ3      LYS  22  -0.630  11.569   0.846
  184    H    GLU  23           HN       GLU  23  -1.224   3.904   1.765
  185    HA   GLU  23           HA       GLU  23   1.383   3.836   2.898
  186    HB2  GLU  23           HB2      GLU  23  -0.583   1.621   2.287
  187    HB3  GLU  23           HB1      GLU  23   0.921   1.383   3.169
  188    HG2  GLU  23           HG2      GLU  23   0.143   2.924   4.904
  189    HG3  GLU  23           HG1      GLU  23  -1.369   3.149   4.017
  190    H    LEU  24           HN       LEU  24  -0.018   2.835  -0.137
  191    HA   LEU  24           HA       LEU  24   2.163   1.361  -1.148
  192    HB2  LEU  24           HB2      LEU  24  -0.175   1.428  -2.089
  193    HB3  LEU  24           HB1      LEU  24   0.196   3.016  -2.734
  194    HG   LEU  24           HG       LEU  24   2.005   2.028  -4.097
  195   HD11  LEU  24          HD11      LEU  24   2.499   0.101  -2.675
  196   HD12  LEU  24          HD12      LEU  24   2.162  -0.386  -4.335
  197   HD13  LEU  24          HD13      LEU  24   0.936  -0.604  -3.087
  198   HD21  LEU  24          HD21      LEU  24  -0.248   2.349  -5.010
  199   HD22  LEU  24          HD22      LEU  24  -0.683   0.721  -4.492
  200   HD23  LEU  24          HD23      LEU  24   0.560   0.954  -5.721
  201    H    ALA  25           HN       ALA  25   1.307   4.777  -1.306
  202    HA   ALA  25           HA       ALA  25   3.404   5.656  -2.929
  203    HB1  ALA  25           HB1      ALA  25   2.033   7.141  -0.695
  204    HB2  ALA  25           HB2      ALA  25   1.451   7.015  -2.355
  205    HB3  ALA  25           HB3      ALA  25   2.959   7.862  -2.012
  206    H    ALA  26           HN       ALA  26   3.238   5.055   0.532
  207    HA   ALA  26           HA       ALA  26   5.835   6.077   1.116
  208    HB1  ALA  26           HB1      ALA  26   5.567   4.944   3.270
  209    HB2  ALA  26           HB2      ALA  26   4.123   4.135   2.659
  210    HB3  ALA  26           HB3      ALA  26   4.140   5.888   2.849
  211    H    TYR  27           HN       TYR  27   4.495   2.887   0.442
  212    HA   TYR  27           HA       TYR  27   6.844   1.412   0.837
  213    HB2  TYR  27           HB2      TYR  27   4.791   0.216   0.735
  214    HB3  TYR  27           HB1      TYR  27   4.401   0.887  -0.850
  215    HD1  TYR  27           HD1      TYR  27   6.808  -1.323   0.901
  216    HD2  TYR  27           HD2      TYR  27   5.020  -0.245  -2.793
  217    HE1  TYR  27           HE1      TYR  27   7.886  -3.258  -0.172
  218    HE2  TYR  27           HE2      TYR  27   6.078  -2.181  -3.882
  219    HH   TYR  27           HH       TYR  27   8.075  -3.640  -3.515
  220    H    GLU  28           HN       GLU  28   5.465   2.837  -2.117
  221    HA   GLU  28           HA       GLU  28   7.450   1.885  -3.865
  222    HB2  GLU  28           HB2      GLU  28   5.693   4.339  -4.065
  223    HB3  GLU  28           HB1      GLU  28   6.720   3.756  -5.367
  224    HG2  GLU  28           HG2      GLU  28   5.478   1.641  -5.395
  225    HG3  GLU  28           HG1      GLU  28   4.421   2.251  -4.116
  226    H    LYS  29           HN       LYS  29   7.343   4.637  -1.734
  227    HA   LYS  29           HA       LYS  29   9.605   6.004  -2.737
  228    HB2  LYS  29           HB2      LYS  29   8.000   7.061  -1.210
  229    HB3  LYS  29           HB1      LYS  29   8.457   5.934   0.061
  230    HG2  LYS  29           HG2      LYS  29  10.720   6.863   0.072
  231    HG3  LYS  29           HG1      LYS  29  10.264   7.998  -1.199
  232    HD2  LYS  29           HD2      LYS  29   9.044   7.861   1.562
  233    HD3  LYS  29           HD1      LYS  29  10.229   9.046   1.020
  234    HE2  LYS  29           HE2      LYS  29   8.649   9.842  -0.673
  235    HE3  LYS  29           HE1      LYS  29   7.463   8.662  -0.119
  236    HZ1  LYS  29           HZ1      LYS  29   7.407   9.746   2.017
  237    HZ2  LYS  29           HZ2      LYS  29   7.067  10.867   0.800
  238    HZ3  LYS  29           HZ3      LYS  29   8.590  10.854   1.533
  239    H    GLU  30           HN       GLU  30   9.213   3.744  -0.018
  240    HA   GLU  30           HA       GLU  30  11.960   3.541   0.581
  241    HB2  GLU  30           HB2      GLU  30   9.770   1.529   1.121
  242    HB3  GLU  30           HB1      GLU  30  11.342   1.582   1.903
  243    HG2  GLU  30           HG2      GLU  30   9.135   3.606   2.122
  244    HG3  GLU  30           HG1      GLU  30   9.724   2.520   3.379
  245    H    LEU  31           HN       LEU  31   9.871   1.860  -1.642
  246    HA   LEU  31           HA       LEU  31  11.582  -0.272  -2.315
  247    HB2  LEU  31           HB2      LEU  31   9.150  -0.112  -2.880
  248    HB3  LEU  31           HB1      LEU  31   9.552   1.102  -4.080
  249    HG   LEU  31           HG       LEU  31  10.924  -0.573  -5.278
  250   HD11  LEU  31          HD11      LEU  31  11.477  -2.006  -3.396
  251   HD12  LEU  31          HD12      LEU  31  10.689  -2.934  -4.672
  252   HD13  LEU  31          HD13      LEU  31   9.785  -2.468  -3.231
  253   HD21  LEU  31          HD21      LEU  31   8.057  -1.348  -4.765
  254   HD22  LEU  31          HD22      LEU  31   9.030  -1.867  -6.141
  255   HD23  LEU  31          HD23      LEU  31   8.625  -0.163  -5.942
  256    H    ALA  32           HN       ALA  32  11.218   2.994  -3.597
  257    HA   ALA  32           HA       ALA  32  13.041   2.785  -5.718
  258    HB1  ALA  32           HB1      ALA  32  11.432   4.620  -5.447
  259    HB2  ALA  32           HB2      ALA  32  13.076   5.201  -5.704
  260    HB3  ALA  32           HB3      ALA  32  12.375   5.225  -4.086
  261    H    ALA  33           HN       ALA  33  13.475   3.410  -2.300
  262    HA   ALA  33           HA       ALA  33  16.255   4.059  -2.492
  263    HB1  ALA  33           HB1      ALA  33  14.633   3.212  -0.102
  264    HB2  ALA  33           HB2      ALA  33  14.842   4.869  -0.665
  265    HB3  ALA  33           HB3      ALA  33  16.229   3.959  -0.066
  266    H    TYR  34           HN       TYR  34  14.391   1.151  -2.138
  267    HA   TYR  34           HA       TYR  34  16.414  -0.573  -1.183
  268    HB2  TYR  34           HB2      TYR  34  14.042  -1.167  -1.099
  269    HB3  TYR  34           HB1      TYR  34  13.959  -1.160  -2.856
  270    HD1  TYR  34           HD1      TYR  34  15.547  -2.880   0.018
  271    HD2  TYR  34           HD2      TYR  34  14.425  -3.102  -4.075
  272    HE1  TYR  34           HE1      TYR  34  16.108  -5.279  -0.001
  273    HE2  TYR  34           HE2      TYR  34  14.983  -5.498  -4.107
  274    HH   TYR  34           HH       TYR  34  16.449  -7.060  -2.836
  275    HN1  NH2  35           HN1      NH2  35  15.534   0.528  -4.377
  276    HN2  NH2  35           HN2      NH2  35  16.820  -0.252  -5.226
  Start of MODEL    2
    1    H1   ACE   0           HA1      ACE   0  15.651  -0.982   2.849
    2    H2   ACE   0           HA2      ACE   0  14.033  -1.133   2.172
    3    H3   ACE   0           HA3      ACE   0  15.255  -2.322   1.735
    4    HA   PRO   1           HA       PRO   1  13.485  -4.323   1.667
    5    HB2  PRO   1           HB2      PRO   1  12.981  -6.293   3.872
    6    HB3  PRO   1           HB1      PRO   1  13.347  -6.596   2.162
    7    HG2  PRO   1           HG2      PRO   1  15.192  -6.956   4.019
    8    HG3  PRO   1           HG1      PRO   1  15.602  -6.266   2.437
    9    HD2  PRO   1           HD2      PRO   1  15.378  -4.906   5.076
   10    HD3  PRO   1           HD1      PRO   1  16.434  -4.534   3.700
   11    HA   PRO   2           HA       PRO   2   9.973  -2.416   3.763
   12    HB2  PRO   2           HB2      PRO   2   8.844  -1.440   1.444
   13    HB3  PRO   2           HB1      PRO   2  10.090  -0.606   2.384
   14    HG2  PRO   2           HG2      PRO   2  10.293  -1.842  -0.216
   15    HG3  PRO   2           HG1      PRO   2  11.435  -0.780   0.622
   16    HD2  PRO   2           HD2      PRO   2  11.547  -3.651   0.311
   17    HD3  PRO   2           HD1      PRO   2  12.754  -2.559   1.018
   18    H    LYS   3           HN       LYS   3   7.825  -2.952   4.004
   19    HA   LYS   3           HA       LYS   3   7.051  -5.445   2.686
   20    HB2  LYS   3           HB2      LYS   3   5.772  -4.038   5.041
   21    HB3  LYS   3           HB1      LYS   3   5.367  -5.645   4.455
   22    HG2  LYS   3           HG2      LYS   3   7.979  -4.785   5.683
   23    HG3  LYS   3           HG1      LYS   3   6.742  -5.791   6.434
   24    HD2  LYS   3           HD2      LYS   3   8.275  -6.525   3.940
   25    HD3  LYS   3           HD1      LYS   3   8.678  -7.078   5.565
   26    HE2  LYS   3           HE2      LYS   3   6.453  -8.130   5.725
   27    HE3  LYS   3           HE1      LYS   3   6.118  -7.629   4.068
   28    HZ1  LYS   3           HZ1      LYS   3   6.861  -9.913   4.144
   29    HZ2  LYS   3           HZ2      LYS   3   8.292  -9.460   4.923
   30    HZ3  LYS   3           HZ3      LYS   3   8.003  -8.963   3.333
   31    H    LYS   4           HN       LYS   4   5.396  -5.596   1.294
   32    HA   LYS   4           HA       LYS   4   4.055  -3.146   0.486
   33    HB2  LYS   4           HB2      LYS   4   4.997  -4.614  -1.257
   34    HB3  LYS   4           HB1      LYS   4   3.995  -5.945  -0.685
   35    HG2  LYS   4           HG2      LYS   4   1.981  -4.667  -1.317
   36    HG3  LYS   4           HG1      LYS   4   3.020  -3.389  -1.959
   37    HD2  LYS   4           HD2      LYS   4   3.943  -4.881  -3.596
   38    HD3  LYS   4           HD1      LYS   4   3.110  -6.261  -2.882
   39    HE2  LYS   4           HE2      LYS   4   1.922  -5.581  -4.863
   40    HE3  LYS   4           HE1      LYS   4   0.942  -5.182  -3.452
   41    HZ1  LYS   4           HZ1      LYS   4   1.644  -2.894  -3.636
   42    HZ2  LYS   4           HZ2      LYS   4   0.972  -3.401  -5.099
   43    HZ3  LYS   4           HZ3      LYS   4   2.649  -3.264  -4.944
   44    HA   PRO   5           HA       PRO   5   0.529  -4.395   2.943
   45    HB2  PRO   5           HB2      PRO   5  -1.063  -2.313   1.756
   46    HB3  PRO   5           HB1      PRO   5  -0.318  -2.338   3.361
   47    HG2  PRO   5           HG2      PRO   5   0.414  -0.660   1.318
   48    HG3  PRO   5           HG1      PRO   5   1.432  -1.091   2.705
   49    HD2  PRO   5           HD2      PRO   5   1.526  -2.102  -0.089
   50    HD3  PRO   5           HD1      PRO   5   2.846  -1.845   1.072
   51    H    LYS   6           HN       LYS   6  -1.635  -5.172   2.651
   52    HA   LYS   6           HA       LYS   6  -2.018  -6.541   0.160
   53    HB2  LYS   6           HB2      LYS   6  -3.801  -6.323   2.593
   54    HB3  LYS   6           HB1      LYS   6  -4.070  -7.418   1.243
   55    HG2  LYS   6           HG2      LYS   6  -1.672  -7.458   3.061
   56    HG3  LYS   6           HG1      LYS   6  -3.067  -8.529   3.186
   57    HD2  LYS   6           HD2      LYS   6  -2.594  -9.437   0.982
   58    HD3  LYS   6           HD1      LYS   6  -1.243  -8.317   0.792
   59    HE2  LYS   6           HE2      LYS   6  -1.470 -10.492   2.868
   60    HE3  LYS   6           HE1      LYS   6  -0.464 -10.542   1.423
   61    HZ1  LYS   6           HZ1      LYS   6   0.843  -9.939   3.337
   62    HZ2  LYS   6           HZ2      LYS   6  -0.178  -8.641   3.686
   63    HZ3  LYS   6           HZ3      LYS   6   0.761  -8.624   2.283
   64    H    LYS   7           HN       LYS   7  -3.104  -5.840  -1.543
   65    HA   LYS   7           HA       LYS   7  -4.472  -3.307  -1.486
   66    HB2  LYS   7           HB2      LYS   7  -3.122  -4.001  -3.444
   67    HB3  LYS   7           HB1      LYS   7  -4.211  -5.355  -3.708
   68    HG2  LYS   7           HG2      LYS   7  -6.055  -3.748  -4.101
   69    HG3  LYS   7           HG1      LYS   7  -4.882  -2.426  -3.964
   70    HD2  LYS   7           HD2      LYS   7  -3.627  -3.307  -5.846
   71    HD3  LYS   7           HD1      LYS   7  -4.713  -4.693  -5.956
   72    HE2  LYS   7           HE2      LYS   7  -5.339  -3.124  -7.649
   73    HE3  LYS   7           HE1      LYS   7  -6.581  -3.102  -6.402
   74    HZ1  LYS   7           HZ1      LYS   7  -4.413  -1.112  -6.759
   75    HZ2  LYS   7           HZ2      LYS   7  -5.526  -1.100  -5.489
   76    HZ3  LYS   7           HZ3      LYS   7  -6.057  -0.875  -7.076
   77    HA   PRO   8           HA       PRO   8  -8.362  -5.287  -0.365
   78    HB2  PRO   8           HB2      PRO   8  -9.447  -2.578  -0.713
   79    HB3  PRO   8           HB1      PRO   8  -9.421  -3.599   0.734
   80    HG2  PRO   8           HG2      PRO   8  -7.905  -1.396   0.490
   81    HG3  PRO   8           HG1      PRO   8  -7.416  -2.817   1.432
   82    HD2  PRO   8           HD2      PRO   8  -6.495  -1.933  -1.259
   83    HD3  PRO   8           HD1      PRO   8  -5.595  -2.732   0.051
   84    H    GLY   9           HN       GLY   9  -8.946  -6.470  -2.117
   85    HA2  GLY   9           HA2      GLY   9  -9.510  -5.206  -4.651
   86    HA3  GLY   9           HA1      GLY   9  -9.623  -6.922  -4.297
   87    H    ASP  10           HN       ASP  10 -11.316  -6.677  -2.045
   88    HA   ASP  10           HA       ASP  10 -13.760  -5.426  -3.015
   89    HB2  ASP  10           HB2      ASP  10 -13.550  -7.823  -3.933
   90    HB3  ASP  10           HB1      ASP  10 -13.762  -8.354  -2.270
   91    H    ASN  11           HN       ASN  11 -15.553  -6.054  -1.207
   92    HA   ASN  11           HA       ASN  11 -16.233  -5.814   0.966
   93    HB2  ASN  11           HB2      ASN  11 -13.559  -7.113   1.535
   94    HB3  ASN  11           HB1      ASN  11 -14.808  -6.842   2.743
   95   HD21  ASN  11          HD21      ASN  11 -16.677  -8.123   2.700
   96   HD22  ASN  11          HD22      ASN  11 -16.771  -9.569   1.759
   97    H    ALA  12           HN       ALA  12 -14.650  -3.655  -0.341
   98    HA   ALA  12           HA       ALA  12 -14.032  -2.119   2.026
   99    HB1  ALA  12           HB1      ALA  12 -11.929  -3.279   1.641
  100    HB2  ALA  12           HB2      ALA  12 -11.762  -1.552   1.327
  101    HB3  ALA  12           HB3      ALA  12 -11.894  -2.686  -0.019
  102    H    THR  13           HN       THR  13 -13.980   0.079   1.682
  103    HA   THR  13           HA       THR  13 -15.354   0.967  -0.698
  104    HB   THR  13           HB       THR  13 -15.387   3.163   0.473
  105    HG1  THR  13           HG1      THR  13 -14.687   3.066   2.736
  106   HG21  THR  13          HG21      THR  13 -16.911   2.482   2.252
  107   HG22  THR  13          HG22      THR  13 -16.322   0.825   2.129
  108   HG23  THR  13          HG23      THR  13 -17.196   1.551   0.782
  109    HA   PRO  14           HA       PRO  14 -11.939   2.815  -2.941
  110    HB2  PRO  14           HB2      PRO  14 -13.497   5.361  -2.757
  111    HB3  PRO  14           HB1      PRO  14 -12.781   4.581  -4.182
  112    HG2  PRO  14           HG2      PRO  14 -15.370   4.455  -3.799
  113    HG3  PRO  14           HG1      PRO  14 -14.472   3.025  -4.354
  114    HD2  PRO  14           HD2      PRO  14 -15.550   3.619  -1.628
  115    HD3  PRO  14           HD1      PRO  14 -15.486   2.079  -2.503
  116    H    GLU  15           HN       GLU  15 -13.297   4.491  -0.163
  117    HA   GLU  15           HA       GLU  15 -11.124   6.199   0.366
  118    HB2  GLU  15           HB2      GLU  15 -13.377   6.477   1.358
  119    HB3  GLU  15           HB1      GLU  15 -13.110   5.032   2.320
  120    HG2  GLU  15           HG2      GLU  15 -11.183   6.148   3.378
  121    HG3  GLU  15           HG1      GLU  15 -11.588   7.611   2.490
  122    H    LYS  16           HN       LYS  16 -11.770   2.853   1.202
  123    HA   LYS  16           HA       LYS  16  -9.588   2.573   3.014
  124    HB2  LYS  16           HB2      LYS  16 -11.502   1.035   3.043
  125    HB3  LYS  16           HB1      LYS  16 -11.100   0.487   1.420
  126    HG2  LYS  16           HG2      LYS  16 -10.355  -1.152   3.008
  127    HG3  LYS  16           HG1      LYS  16  -8.943  -0.367   2.300
  128    HD2  LYS  16           HD2      LYS  16  -8.732   1.053   4.272
  129    HD3  LYS  16           HD1      LYS  16 -10.163   0.303   4.978
  130    HE2  LYS  16           HE2      LYS  16  -7.596  -1.120   4.282
  131    HE3  LYS  16           HE1      LYS  16  -8.076  -0.614   5.900
  132    HZ1  LYS  16           HZ1      LYS  16  -9.489  -2.596   4.198
  133    HZ2  LYS  16           HZ2      LYS  16 -10.011  -2.076   5.719
  134    HZ3  LYS  16           HZ3      LYS  16  -8.561  -2.936   5.570
  135    H    LEU  17           HN       LEU  17 -10.054   2.219  -0.430
  136    HA   LEU  17           HA       LEU  17  -7.508   1.143  -1.023
  137    HB2  LEU  17           HB2      LEU  17  -9.618   2.528  -2.607
  138    HB3  LEU  17           HB1      LEU  17  -8.014   2.378  -3.303
  139    HG   LEU  17           HG       LEU  17  -9.403   0.591  -4.121
  140   HD11  LEU  17          HD11      LEU  17  -8.094  -1.351  -3.436
  141   HD12  LEU  17          HD12      LEU  17  -7.445  -0.435  -2.078
  142   HD13  LEU  17          HD13      LEU  17  -7.071   0.054  -3.728
  143   HD21  LEU  17          HD21      LEU  17  -9.858  -0.181  -1.241
  144   HD22  LEU  17          HD22      LEU  17 -10.416  -1.070  -2.657
  145   HD23  LEU  17          HD23      LEU  17 -11.053   0.538  -2.319
  146    H    ALA  18           HN       ALA  18  -8.716   4.422  -0.623
  147    HA   ALA  18           HA       ALA  18  -6.443   5.815  -1.469
  148    HB1  ALA  18           HB1      ALA  18  -8.373   6.561   0.720
  149    HB2  ALA  18           HB2      ALA  18  -8.593   6.886  -0.999
  150    HB3  ALA  18           HB3      ALA  18  -7.276   7.659  -0.118
  151    H    ALA  19           HN       ALA  19  -7.323   4.436   1.648
  152    HA   ALA  19           HA       ALA  19  -5.069   5.223   3.105
  153    HB1  ALA  19           HB1      ALA  19  -7.100   4.283   4.113
  154    HB2  ALA  19           HB2      ALA  19  -5.642   3.444   4.641
  155    HB3  ALA  19           HB3      ALA  19  -6.692   2.709   3.428
  156    H    TYR  20           HN       TYR  20  -5.686   2.348   1.126
  157    HA   TYR  20           HA       TYR  20  -3.204   1.108   1.546
  158    HB2  TYR  20           HB2      TYR  20  -4.985  -0.159   0.530
  159    HB3  TYR  20           HB1      TYR  20  -5.079   0.968  -0.818
  160    HD1  TYR  20           HD1      TYR  20  -2.842  -1.495   0.809
  161    HD2  TYR  20           HD2      TYR  20  -3.763   0.648  -2.739
  162    HE1  TYR  20           HE1      TYR  20  -1.202  -2.850  -0.426
  163    HE2  TYR  20           HE2      TYR  20  -2.126  -0.704  -3.991
  164    HH   TYR  20           HH       TYR  20  -0.790  -3.552  -2.771
  165    H    GLU  21           HN       GLU  21  -4.295   3.405  -0.918
  166    HA   GLU  21           HA       GLU  21  -1.938   3.435  -2.425
  167    HB2  GLU  21           HB2      GLU  21  -4.029   5.578  -2.039
  168    HB3  GLU  21           HB1      GLU  21  -2.718   5.702  -3.197
  169    HG2  GLU  21           HG2      GLU  21  -3.570   3.588  -4.252
  170    HG3  GLU  21           HG1      GLU  21  -4.972   3.705  -3.186
  171    H    LYS  22           HN       LYS  22  -2.800   5.121   0.528
  172    HA   LYS  22           HA       LYS  22  -0.576   6.894   0.492
  173    HB2  LYS  22           HB2      LYS  22  -2.539   7.368   1.868
  174    HB3  LYS  22           HB1      LYS  22  -2.240   5.921   2.822
  175    HG2  LYS  22           HG2      LYS  22  -0.140   6.869   3.629
  176    HG3  LYS  22           HG1      LYS  22  -0.405   8.310   2.645
  177    HD2  LYS  22           HD2      LYS  22  -2.408   8.836   3.917
  178    HD3  LYS  22           HD1      LYS  22  -2.215   7.362   4.866
  179    HE2  LYS  22           HE2      LYS  22  -0.299   9.692   4.782
  180    HE3  LYS  22           HE1      LYS  22  -1.412   9.310   6.094
  181    HZ1  LYS  22           HZ1      LYS  22  -0.231   7.241   6.457
  182    HZ2  LYS  22           HZ2      LYS  22   0.835   8.548   6.566
  183    HZ3  LYS  22           HZ3      LYS  22   0.826   7.581   5.183
  184    H    GLU  23           HN       GLU  23  -1.198   3.744   1.971
  185    HA   GLU  23           HA       GLU  23   1.360   3.443   3.145
  186    HB2  GLU  23           HB2      GLU  23  -0.727   1.429   2.303
  187    HB3  GLU  23           HB1      GLU  23   0.769   0.975   3.113
  188    HG2  GLU  23           HG2      GLU  23  -1.344   2.813   4.223
  189    HG3  GLU  23           HG1      GLU  23  -1.103   1.118   4.665
  190    H    LEU  24           HN       LEU  24   0.021   2.712   0.007
  191    HA   LEU  24           HA       LEU  24   2.187   1.257  -1.051
  192    HB2  LEU  24           HB2      LEU  24  -0.122   1.432  -2.032
  193    HB3  LEU  24           HB1      LEU  24   0.282   3.055  -2.558
  194    HG   LEU  24           HG       LEU  24   2.097   2.138  -3.959
  195   HD11  LEU  24          HD11      LEU  24   0.980  -0.538  -3.134
  196   HD12  LEU  24          HD12      LEU  24   2.553   0.114  -2.676
  197   HD13  LEU  24          HD13      LEU  24   2.213  -0.261  -4.364
  198   HD21  LEU  24          HD21      LEU  24   0.661   1.195  -5.673
  199   HD22  LEU  24          HD22      LEU  24  -0.134   2.556  -4.882
  200   HD23  LEU  24          HD23      LEU  24  -0.604   0.906  -4.480
  201    H    ALA  25           HN       ALA  25   1.430   4.703  -0.967
  202    HA   ALA  25           HA       ALA  25   3.586   5.626  -2.493
  203    HB1  ALA  25           HB1      ALA  25   2.226   6.999  -0.184
  204    HB2  ALA  25           HB2      ALA  25   1.658   7.007  -1.853
  205    HB3  ALA  25           HB3      ALA  25   3.191   7.777  -1.441
  206    H    ALA  26           HN       ALA  26   3.277   4.874   0.922
  207    HA   ALA  26           HA       ALA  26   5.853   5.716   1.713
  208    HB1  ALA  26           HB1      ALA  26   4.044   5.320   3.306
  209    HB2  ALA  26           HB2      ALA  26   5.469   4.365   3.707
  210    HB3  ALA  26           HB3      ALA  26   4.085   3.599   2.928
  211    H    TYR  27           HN       TYR  27   4.541   2.605   0.693
  212    HA   TYR  27           HA       TYR  27   6.889   1.099   1.023
  213    HB2  TYR  27           HB2      TYR  27   4.811  -0.059   0.841
  214    HB3  TYR  27           HB1      TYR  27   4.452   0.693  -0.715
  215    HD1  TYR  27           HD1      TYR  27   6.777  -1.644   0.966
  216    HD2  TYR  27           HD2      TYR  27   5.094  -0.346  -2.704
  217    HE1  TYR  27           HE1      TYR  27   7.838  -3.548  -0.177
  218    HE2  TYR  27           HE2      TYR  27   6.135  -2.250  -3.868
  219    HH   TYR  27           HH       TYR  27   7.652  -4.844  -2.136
  220    H    GLU  28           HN       GLU  28   5.514   2.656  -1.879
  221    HA   GLU  28           HA       GLU  28   7.560   1.818  -3.621
  222    HB2  GLU  28           HB2      GLU  28   5.730   4.218  -3.798
  223    HB3  GLU  28           HB1      GLU  28   6.802   3.703  -5.090
  224    HG2  GLU  28           HG2      GLU  28   5.611   1.486  -5.054
  225    HG3  GLU  28           HG1      GLU  28   4.424   2.226  -3.975
  226    H    LYS  29           HN       LYS  29   7.346   4.464  -1.375
  227    HA   LYS  29           HA       LYS  29   9.527   5.990  -2.315
  228    HB2  LYS  29           HB2      LYS  29   7.869   6.842  -0.685
  229    HB3  LYS  29           HB1      LYS  29   8.484   5.710   0.513
  230    HG2  LYS  29           HG2      LYS  29  10.623   6.814   0.535
  231    HG3  LYS  29           HG1      LYS  29  10.124   7.889  -0.767
  232    HD2  LYS  29           HD2      LYS  29   9.970   9.130   1.249
  233    HD3  LYS  29           HD1      LYS  29   8.319   8.745   0.773
  234    HE2  LYS  29           HE2      LYS  29   9.821   7.014   2.706
  235    HE3  LYS  29           HE1      LYS  29   9.007   8.477   3.246
  236    HZ1  LYS  29           HZ1      LYS  29   6.932   7.574   2.329
  237    HZ2  LYS  29           HZ2      LYS  29   7.583   6.589   3.542
  238    HZ3  LYS  29           HZ3      LYS  29   7.741   6.143   1.922
  239    H    GLU  30           HN       GLU  30   9.286   3.481   0.194
  240    HA   GLU  30           HA       GLU  30  12.062   3.410   0.764
  241    HB2  GLU  30           HB2      GLU  30   9.873   1.381   1.231
  242    HB3  GLU  30           HB1      GLU  30  11.522   1.171   1.793
  243    HG2  GLU  30           HG2      GLU  30  11.343   3.097   3.216
  244    HG3  GLU  30           HG1      GLU  30   9.747   3.469   2.568
  245    H    LEU  31           HN       LEU  31  10.020   1.784  -1.540
  246    HA   LEU  31           HA       LEU  31  11.850  -0.184  -2.405
  247    HB2  LEU  31           HB2      LEU  31   9.323   0.001  -2.859
  248    HB3  LEU  31           HB1      LEU  31   9.762   1.098  -4.155
  249    HG   LEU  31           HG       LEU  31  11.100  -0.700  -5.196
  250   HD11  LEU  31          HD11      LEU  31  11.663  -2.000  -3.252
  251   HD12  LEU  31          HD12      LEU  31  10.746  -3.013  -4.370
  252   HD13  LEU  31          HD13      LEU  31   9.961  -2.341  -2.940
  253   HD21  LEU  31          HD21      LEU  31   8.822  -0.330  -5.923
  254   HD22  LEU  31          HD22      LEU  31   8.214  -1.353  -4.621
  255   HD23  LEU  31          HD23      LEU  31   9.176  -2.058  -5.921
  256    H    ALA  32           HN       ALA  32  11.262   3.141  -3.400
  257    HA   ALA  32           HA       ALA  32  13.005   3.196  -5.605
  258    HB1  ALA  32           HB1      ALA  32  11.318   4.914  -5.163
  259    HB2  ALA  32           HB2      ALA  32  12.923   5.610  -5.382
  260    HB3  ALA  32           HB3      ALA  32  12.244   5.452  -3.761
  261    H    ALA  33           HN       ALA  33  13.511   3.557  -2.167
  262    HA   ALA  33           HA       ALA  33  16.264   4.372  -2.461
  263    HB1  ALA  33           HB1      ALA  33  14.710   3.611   0.000
  264    HB2  ALA  33           HB2      ALA  33  14.888   5.243  -0.639
  265    HB3  ALA  33           HB3      ALA  33  16.299   4.376  -0.030
  266    H    TYR  34           HN       TYR  34  14.734   1.485  -2.804
  267    HA   TYR  34           HA       TYR  34  16.848  -0.092  -1.544
  268    HB2  TYR  34           HB2      TYR  34  14.493  -0.779  -1.190
  269    HB3  TYR  34           HB1      TYR  34  14.312  -1.004  -2.928
  270    HD1  TYR  34           HD1      TYR  34  16.208  -2.199   0.022
  271    HD2  TYR  34           HD2      TYR  34  14.899  -3.035  -3.930
  272    HE1  TYR  34           HE1      TYR  34  17.018  -4.510   0.251
  273    HE2  TYR  34           HE2      TYR  34  15.702  -5.351  -3.717
  274    HH   TYR  34           HH       TYR  34  17.348  -6.605  -2.404
  275    HN1  NH2  35           HN1      NH2  35  18.536  -0.698  -2.689
  276    HN2  NH2  35           HN2      NH2  35  18.604  -0.885  -4.406
  Start of MODEL    3
    1    H1   ACE   0           HA1      ACE   0  13.870  -1.548   4.258
    2    H2   ACE   0           HA2      ACE   0  15.445  -2.233   3.865
    3    H3   ACE   0           HA3      ACE   0  15.193  -1.535   5.462
    4    HA   PRO   1           HA       PRO   1  13.833  -3.845   2.348
    5    HB2  PRO   1           HB2      PRO   1  12.835  -6.579   3.065
    6    HB3  PRO   1           HB1      PRO   1  13.638  -6.036   1.578
    7    HG2  PRO   1           HG2      PRO   1  14.935  -7.476   3.383
    8    HG3  PRO   1           HG1      PRO   1  15.733  -6.165   2.490
    9    HD2  PRO   1           HD2      PRO   1  14.839  -6.233   5.326
   10    HD3  PRO   1           HD1      PRO   1  16.195  -5.356   4.591
   11    HA   PRO   2           HA       PRO   2   9.866  -2.623   4.045
   12    HB2  PRO   2           HB2      PRO   2   8.927  -1.443   1.766
   13    HB3  PRO   2           HB1      PRO   2  10.066  -0.657   2.873
   14    HG2  PRO   2           HG2      PRO   2  10.572  -1.993   0.275
   15    HG3  PRO   2           HG1      PRO   2  11.322  -0.545   0.973
   16    HD2  PRO   2           HD2      PRO   2  12.515  -3.000   0.952
   17    HD3  PRO   2           HD1      PRO   2  12.855  -1.755   2.171
   18    H    LYS   3           HN       LYS   3   7.869  -3.505   4.064
   19    HA   LYS   3           HA       LYS   3   7.401  -5.687   2.161
   20    HB2  LYS   3           HB2      LYS   3   6.269  -5.156   4.910
   21    HB3  LYS   3           HB1      LYS   3   5.719  -6.461   3.868
   22    HG2  LYS   3           HG2      LYS   3   7.996  -7.388   3.866
   23    HG3  LYS   3           HG1      LYS   3   8.497  -6.105   4.969
   24    HD2  LYS   3           HD2      LYS   3   6.887  -6.894   6.627
   25    HD3  LYS   3           HD1      LYS   3   6.364  -8.166   5.521
   26    HE2  LYS   3           HE2      LYS   3   8.599  -9.134   5.562
   27    HE3  LYS   3           HE1      LYS   3   9.146  -7.848   6.635
   28    HZ1  LYS   3           HZ1      LYS   3   7.561  -8.625   8.294
   29    HZ2  LYS   3           HZ2      LYS   3   8.653  -9.845   7.871
   30    HZ3  LYS   3           HZ3      LYS   3   7.076  -9.877   7.266
   31    H    LYS   4           HN       LYS   4   5.627  -5.764   0.897
   32    HA   LYS   4           HA       LYS   4   4.283  -3.279   0.421
   33    HB2  LYS   4           HB2      LYS   4   4.929  -4.719  -1.451
   34    HB3  LYS   4           HB1      LYS   4   3.907  -6.014  -0.829
   35    HG2  LYS   4           HG2      LYS   4   1.930  -4.583  -1.173
   36    HG3  LYS   4           HG1      LYS   4   2.975  -3.343  -1.870
   37    HD2  LYS   4           HD2      LYS   4   3.622  -4.844  -3.656
   38    HD3  LYS   4           HD1      LYS   4   2.688  -6.155  -2.927
   39    HE2  LYS   4           HE2      LYS   4   1.536  -3.548  -3.926
   40    HE3  LYS   4           HE1      LYS   4   1.506  -5.075  -4.810
   41    HZ1  LYS   4           HZ1      LYS   4   0.256  -4.634  -2.150
   42    HZ2  LYS   4           HZ2      LYS   4   0.166  -6.042  -3.084
   43    HZ3  LYS   4           HZ3      LYS   4  -0.572  -4.621  -3.626
   44    HA   PRO   5           HA       PRO   5   0.729  -4.177   3.031
   45    HB2  PRO   5           HB2      PRO   5  -0.837  -2.149   2.054
   46    HB3  PRO   5           HB1      PRO   5   0.412  -1.912   3.290
   47    HG2  PRO   5           HG2      PRO   5   0.530  -1.380   0.367
   48    HG3  PRO   5           HG1      PRO   5   1.171  -0.424   1.718
   49    HD2  PRO   5           HD2      PRO   5   2.753  -2.001   0.211
   50    HD3  PRO   5           HD1      PRO   5   3.045  -1.735   1.944
   51    H    LYS   6           HN       LYS   6  -1.396  -4.956   2.702
   52    HA   LYS   6           HA       LYS   6  -1.714  -6.336   0.194
   53    HB2  LYS   6           HB2      LYS   6  -3.459  -6.256   2.660
   54    HB3  LYS   6           HB1      LYS   6  -3.705  -7.332   1.290
   55    HG2  LYS   6           HG2      LYS   6  -1.597  -8.420   1.714
   56    HG3  LYS   6           HG1      LYS   6  -1.240  -7.282   3.012
   57    HD2  LYS   6           HD2      LYS   6  -3.200  -8.094   4.245
   58    HD3  LYS   6           HD1      LYS   6  -3.518  -9.256   2.957
   59    HE2  LYS   6           HE2      LYS   6  -2.349 -10.286   4.855
   60    HE3  LYS   6           HE1      LYS   6  -1.389 -10.343   3.378
   61    HZ1  LYS   6           HZ1      LYS   6  -0.085  -8.497   4.152
   62    HZ2  LYS   6           HZ2      LYS   6  -0.090  -9.698   5.340
   63    HZ3  LYS   6           HZ3      LYS   6  -1.056  -8.325   5.527
   64    H    LYS   7           HN       LYS   7  -3.044  -5.840  -1.432
   65    HA   LYS   7           HA       LYS   7  -4.382  -3.273  -1.363
   66    HB2  LYS   7           HB2      LYS   7  -3.026  -3.949  -3.334
   67    HB3  LYS   7           HB1      LYS   7  -4.133  -5.287  -3.613
   68    HG2  LYS   7           HG2      LYS   7  -5.959  -3.689  -3.997
   69    HG3  LYS   7           HG1      LYS   7  -4.818  -2.352  -3.765
   70    HD2  LYS   7           HD2      LYS   7  -3.496  -3.142  -5.661
   71    HD3  LYS   7           HD1      LYS   7  -4.603  -4.499  -5.883
   72    HE2  LYS   7           HE2      LYS   7  -5.103  -2.742  -7.479
   73    HE3  LYS   7           HE1      LYS   7  -6.430  -2.916  -6.333
   74    HZ1  LYS   7           HZ1      LYS   7  -5.652  -0.981  -5.157
   75    HZ2  LYS   7           HZ2      LYS   7  -5.852  -0.592  -6.786
   76    HZ3  LYS   7           HZ3      LYS   7  -4.303  -0.847  -6.166
   77    HA   PRO   8           HA       PRO   8  -8.248  -5.365  -0.295
   78    HB2  PRO   8           HB2      PRO   8  -9.272  -2.609  -0.302
   79    HB3  PRO   8           HB1      PRO   8  -9.233  -3.784   1.023
   80    HG2  PRO   8           HG2      PRO   8  -7.678  -1.609   1.000
   81    HG3  PRO   8           HG1      PRO   8  -7.169  -3.147   1.722
   82    HD2  PRO   8           HD2      PRO   8  -6.398  -1.953  -0.904
   83    HD3  PRO   8           HD1      PRO   8  -5.412  -2.855   0.272
   84    H    GLY   9           HN       GLY   9  -9.031  -6.311  -2.108
   85    HA2  GLY   9           HA2      GLY   9  -9.876  -4.550  -4.310
   86    HA3  GLY   9           HA1      GLY   9  -9.448  -6.241  -4.495
   87    H    ASP  10           HN       ASP  10 -10.914  -7.362  -2.438
   88    HA   ASP  10           HA       ASP  10 -13.592  -7.133  -3.590
   89    HB2  ASP  10           HB2      ASP  10 -12.683  -9.366  -3.598
   90    HB3  ASP  10           HB1      ASP  10 -12.306  -9.271  -1.882
   91    H    ASN  11           HN       ASN  11 -15.298  -6.358  -2.496
   92    HA   ASN  11           HA       ASN  11 -16.509  -5.296  -0.879
   93    HB2  ASN  11           HB2      ASN  11 -15.105  -7.436   0.692
   94    HB3  ASN  11           HB1      ASN  11 -16.135  -6.263   1.507
   95   HD21  ASN  11          HD21      ASN  11 -17.563  -7.930   2.125
   96   HD22  ASN  11          HD22      ASN  11 -18.658  -8.647   0.995
   97    H    ALA  12           HN       ALA  12 -14.485  -3.755  -1.648
   98    HA   ALA  12           HA       ALA  12 -13.376  -2.685   0.856
   99    HB1  ALA  12           HB1      ALA  12 -11.391  -2.003  -0.361
  100    HB2  ALA  12           HB2      ALA  12 -12.046  -2.700  -1.843
  101    HB3  ALA  12           HB3      ALA  12 -11.633  -3.746  -0.485
  102    H    THR  13           HN       THR  13 -13.464  -0.523   1.168
  103    HA   THR  13           HA       THR  13 -15.100   1.000  -0.695
  104    HB   THR  13           HB       THR  13 -15.125   2.711   1.103
  105    HG1  THR  13           HG1      THR  13 -14.271   2.029   3.170
  106   HG21  THR  13          HG21      THR  13 -16.867   0.994   0.981
  107   HG22  THR  13          HG22      THR  13 -16.534   1.463   2.649
  108   HG23  THR  13          HG23      THR  13 -15.899  -0.055   2.016
  109    HA   PRO  14           HA       PRO  14 -11.716   3.291  -2.490
  110    HB2  PRO  14           HB2      PRO  14 -13.453   5.670  -1.985
  111    HB3  PRO  14           HB1      PRO  14 -12.653   5.160  -3.486
  112    HG2  PRO  14           HG2      PRO  14 -15.235   4.811  -3.218
  113    HG3  PRO  14           HG1      PRO  14 -14.228   3.536  -3.940
  114    HD2  PRO  14           HD2      PRO  14 -15.394   3.668  -1.179
  115    HD3  PRO  14           HD1      PRO  14 -15.236   2.278  -2.272
  116    H    GLU  15           HN       GLU  15 -13.255   4.353   0.475
  117    HA   GLU  15           HA       GLU  15 -11.270   6.112   1.401
  118    HB2  GLU  15           HB2      GLU  15 -13.504   6.007   2.398
  119    HB3  GLU  15           HB1      GLU  15 -13.194   4.371   2.953
  120    HG2  GLU  15           HG2      GLU  15 -11.379   5.233   4.379
  121    HG3  GLU  15           HG1      GLU  15 -11.802   6.865   3.873
  122    H    LYS  16           HN       LYS  16 -11.606   2.615   1.571
  123    HA   LYS  16           HA       LYS  16  -9.422   2.246   3.382
  124    HB2  LYS  16           HB2      LYS  16 -11.301   0.633   3.163
  125    HB3  LYS  16           HB1      LYS  16 -10.752   0.249   1.537
  126    HG2  LYS  16           HG2      LYS  16 -10.004  -1.466   3.034
  127    HG3  LYS  16           HG1      LYS  16  -8.607  -0.535   2.495
  128    HD2  LYS  16           HD2      LYS  16  -8.429  -0.979   4.868
  129    HD3  LYS  16           HD1      LYS  16  -8.672   0.746   4.599
  130    HE2  LYS  16           HE2      LYS  16 -11.074   0.450   5.098
  131    HE3  LYS  16           HE1      LYS  16 -10.773  -1.251   5.443
  132    HZ1  LYS  16           HZ1      LYS  16  -9.547   1.029   6.893
  133    HZ2  LYS  16           HZ2      LYS  16  -9.327  -0.609   7.249
  134    HZ3  LYS  16           HZ3      LYS  16 -10.845   0.104   7.453
  135    H    LEU  17           HN       LEU  17  -9.899   2.120  -0.094
  136    HA   LEU  17           HA       LEU  17  -7.286   1.278  -0.750
  137    HB2  LEU  17           HB2      LEU  17  -9.489   2.592  -2.274
  138    HB3  LEU  17           HB1      LEU  17  -7.886   2.509  -2.982
  139    HG   LEU  17           HG       LEU  17  -9.146   0.687  -3.844
  140   HD11  LEU  17          HD11      LEU  17  -7.329  -0.355  -1.686
  141   HD12  LEU  17          HD12      LEU  17  -6.829   0.183  -3.288
  142   HD13  LEU  17          HD13      LEU  17  -7.858  -1.238  -3.117
  143   HD21  LEU  17          HD21      LEU  17  -9.754  -0.140  -1.012
  144   HD22  LEU  17          HD22      LEU  17 -10.262  -0.967  -2.483
  145   HD23  LEU  17          HD23      LEU  17 -10.891   0.639  -2.114
  146    H    ALA  18           HN       ALA  18  -8.725   4.448  -0.235
  147    HA   ALA  18           HA       ALA  18  -6.590   6.026  -1.095
  148    HB1  ALA  18           HB1      ALA  18  -8.783   6.938  -0.550
  149    HB2  ALA  18           HB2      ALA  18  -7.515   7.760   0.360
  150    HB3  ALA  18           HB3      ALA  18  -8.525   6.551   1.150
  151    H    ALA  19           HN       ALA  19  -7.236   4.462   1.985
  152    HA   ALA  19           HA       ALA  19  -4.947   5.372   3.354
  153    HB1  ALA  19           HB1      ALA  19  -5.369   3.555   4.899
  154    HB2  ALA  19           HB2      ALA  19  -6.456   2.794   3.737
  155    HB3  ALA  19           HB3      ALA  19  -6.884   4.343   4.463
  156    H    TYR  20           HN       TYR  20  -5.587   2.515   1.370
  157    HA   TYR  20           HA       TYR  20  -3.080   1.289   1.673
  158    HB2  TYR  20           HB2      TYR  20  -4.873  -0.001   0.752
  159    HB3  TYR  20           HB1      TYR  20  -5.109   1.146  -0.560
  160    HD1  TYR  20           HD1      TYR  20  -2.646  -1.275   0.820
  161    HD2  TYR  20           HD2      TYR  20  -4.017   0.839  -2.602
  162    HE1  TYR  20           HE1      TYR  20  -1.132  -2.600  -0.601
  163    HE2  TYR  20           HE2      TYR  20  -2.506  -0.477  -4.031
  164    HH   TYR  20           HH       TYR  20  -0.541  -1.802  -3.905
  165    H    GLU  21           HN       GLU  21  -4.281   3.560  -0.783
  166    HA   GLU  21           HA       GLU  21  -1.942   3.627  -2.330
  167    HB2  GLU  21           HB2      GLU  21  -4.057   5.743  -1.920
  168    HB3  GLU  21           HB1      GLU  21  -2.783   5.853  -3.121
  169    HG2  GLU  21           HG2      GLU  21  -3.658   3.741  -4.133
  170    HG3  GLU  21           HG1      GLU  21  -5.012   3.835  -3.007
  171    H    LYS  22           HN       LYS  22  -2.838   5.305   0.602
  172    HA   LYS  22           HA       LYS  22  -0.736   7.197   0.584
  173    HB2  LYS  22           HB2      LYS  22  -2.746   7.386   2.016
  174    HB3  LYS  22           HB1      LYS  22  -2.192   6.009   2.956
  175    HG2  LYS  22           HG2      LYS  22  -0.189   7.295   3.607
  176    HG3  LYS  22           HG1      LYS  22  -0.815   8.682   2.717
  177    HD2  LYS  22           HD2      LYS  22  -2.169   7.333   5.055
  178    HD3  LYS  22           HD1      LYS  22  -1.279   8.853   5.120
  179    HE2  LYS  22           HE2      LYS  22  -3.747   8.359   3.457
  180    HE3  LYS  22           HE1      LYS  22  -3.726   9.167   5.022
  181    HZ1  LYS  22           HZ1      LYS  22  -3.754  10.753   3.206
  182    HZ2  LYS  22           HZ2      LYS  22  -2.321  10.108   2.580
  183    HZ3  LYS  22           HZ3      LYS  22  -2.313  10.882   4.083
  184    H    GLU  23           HN       GLU  23  -1.087   3.978   2.017
  185    HA   GLU  23           HA       GLU  23   1.572   3.939   3.063
  186    HB2  GLU  23           HB2      GLU  23  -0.405   1.700   2.585
  187    HB3  GLU  23           HB1      GLU  23   1.123   1.516   3.445
  188    HG2  GLU  23           HG2      GLU  23  -1.246   3.184   4.260
  189    HG3  GLU  23           HG1      GLU  23  -0.617   1.735   5.055
  190    H    LEU  24           HN       LEU  24   0.034   2.976   0.107
  191    HA   LEU  24           HA       LEU  24   2.122   1.480  -1.037
  192    HB2  LEU  24           HB2      LEU  24  -0.230   1.630  -1.890
  193    HB3  LEU  24           HB1      LEU  24   0.127   3.250  -2.460
  194    HG   LEU  24           HG       LEU  24   1.879   2.308  -3.945
  195   HD11  LEU  24          HD11      LEU  24   2.312   0.265  -2.640
  196   HD12  LEU  24          HD12      LEU  24   1.980  -0.071  -4.338
  197   HD13  LEU  24          HD13      LEU  24   0.734  -0.356  -3.124
  198   HD21  LEU  24          HD21      LEU  24  -0.367   2.782  -4.772
  199   HD22  LEU  24          HD22      LEU  24  -0.885   1.160  -4.312
  200   HD23  LEU  24          HD23      LEU  24   0.326   1.375  -5.574
  201    H    ALA  25           HN       ALA  25   1.385   4.926  -1.008
  202    HA   ALA  25           HA       ALA  25   3.398   5.820  -2.714
  203    HB1  ALA  25           HB1      ALA  25   1.546   7.209  -1.888
  204    HB2  ALA  25           HB2      ALA  25   3.114   7.978  -1.651
  205    HB3  ALA  25           HB3      ALA  25   2.287   7.219  -0.290
  206    H    ALA  26           HN       ALA  26   3.417   5.230   0.763
  207    HA   ALA  26           HA       ALA  26   6.088   6.079   1.188
  208    HB1  ALA  26           HB1      ALA  26   5.875   5.015   3.370
  209    HB2  ALA  26           HB2      ALA  26   4.387   4.226   2.845
  210    HB3  ALA  26           HB3      ALA  26   4.449   5.981   2.995
  211    H    TYR  27           HN       TYR  27   4.566   2.961   0.578
  212    HA   TYR  27           HA       TYR  27   6.864   1.380   0.910
  213    HB2  TYR  27           HB2      TYR  27   4.789   0.250   0.956
  214    HB3  TYR  27           HB1      TYR  27   4.288   0.939  -0.590
  215    HD1  TYR  27           HD1      TYR  27   6.766  -1.367   0.940
  216    HD2  TYR  27           HD2      TYR  27   4.665  -0.223  -2.563
  217    HE1  TYR  27           HE1      TYR  27   7.667  -3.337  -0.233
  218    HE2  TYR  27           HE2      TYR  27   5.539  -2.186  -3.747
  219    HH   TYR  27           HH       TYR  27   7.189  -4.736  -2.116
  220    H    GLU  28           HN       GLU  28   5.378   2.706  -2.062
  221    HA   GLU  28           HA       GLU  28   7.318   1.614  -3.796
  222    HB2  GLU  28           HB2      GLU  28   5.555   4.046  -4.171
  223    HB3  GLU  28           HB1      GLU  28   6.513   3.304  -5.441
  224    HG2  GLU  28           HG2      GLU  28   5.233   1.210  -5.141
  225    HG3  GLU  28           HG1      GLU  28   4.214   2.034  -3.956
  226    H    LYS  29           HN       LYS  29   7.179   4.587  -1.962
  227    HA   LYS  29           HA       LYS  29   9.398   5.883  -3.124
  228    HB2  LYS  29           HB2      LYS  29   7.813   7.087  -1.721
  229    HB3  LYS  29           HB1      LYS  29   8.223   6.077  -0.344
  230    HG2  LYS  29           HG2      LYS  29   9.267   8.255  -0.147
  231    HG3  LYS  29           HG1      LYS  29  10.485   6.992  -0.331
  232    HD2  LYS  29           HD2      LYS  29  10.703   7.556  -2.712
  233    HD3  LYS  29           HD1      LYS  29   9.491   8.826  -2.519
  234    HE2  LYS  29           HE2      LYS  29  11.753   9.742  -2.467
  235    HE3  LYS  29           HE1      LYS  29  10.933   9.972  -0.924
  236    HZ1  LYS  29           HZ1      LYS  29  13.217   9.235  -0.627
  237    HZ2  LYS  29           HZ2      LYS  29  12.907   7.833  -1.518
  238    HZ3  LYS  29           HZ3      LYS  29  12.134   8.081  -0.033
  239    H    GLU  30           HN       GLU  30   9.093   3.833  -0.240
  240    HA   GLU  30           HA       GLU  30  11.848   3.828   0.404
  241    HB2  GLU  30           HB2      GLU  30   9.992   3.192   1.962
  242    HB3  GLU  30           HB1      GLU  30   9.807   1.695   1.059
  243    HG2  GLU  30           HG2      GLU  30  11.089   1.163   2.943
  244    HG3  GLU  30           HG1      GLU  30  12.222   1.221   1.595
  245    H    LEU  31           HN       LEU  31   9.836   1.788  -1.620
  246    HA   LEU  31           HA       LEU  31  11.710  -0.264  -2.105
  247    HB2  LEU  31           HB2      LEU  31   9.210  -0.297  -2.560
  248    HB3  LEU  31           HB1      LEU  31   9.548   0.644  -4.000
  249    HG   LEU  31           HG       LEU  31  10.948  -1.189  -4.862
  250   HD11  LEU  31          HD11      LEU  31  10.019  -2.621  -2.378
  251   HD12  LEU  31          HD12      LEU  31  11.676  -2.162  -2.772
  252   HD13  LEU  31          HD13      LEU  31  10.845  -3.381  -3.739
  253   HD21  LEU  31          HD21      LEU  31   8.572  -1.032  -5.440
  254   HD22  LEU  31          HD22      LEU  31   8.172  -2.034  -4.045
  255   HD23  LEU  31          HD23      LEU  31   9.118  -2.708  -5.374
  256    H    ALA  32           HN       ALA  32  10.928   2.689  -3.902
  257    HA   ALA  32           HA       ALA  32  12.725   2.306  -6.021
  258    HB1  ALA  32           HB1      ALA  32  12.472   4.688  -6.437
  259    HB2  ALA  32           HB2      ALA  32  11.753   4.901  -4.840
  260    HB3  ALA  32           HB3      ALA  32  10.915   3.948  -6.064
  261    H    ALA  33           HN       ALA  33  13.140   3.591  -2.797
  262    HA   ALA  33           HA       ALA  33  15.810   4.529  -3.253
  263    HB1  ALA  33           HB1      ALA  33  14.359   5.545  -1.576
  264    HB2  ALA  33           HB2      ALA  33  15.844   4.926  -0.854
  265    HB3  ALA  33           HB3      ALA  33  14.337   4.029  -0.680
  266    H    TYR  34           HN       TYR  34  14.329   1.545  -2.330
  267    HA   TYR  34           HA       TYR  34  16.676   0.399  -1.138
  268    HB2  TYR  34           HB2      TYR  34  14.337  -0.290  -0.555
  269    HB3  TYR  34           HB1      TYR  34  14.193  -1.001  -2.160
  270    HD1  TYR  34           HD1      TYR  34  14.878  -3.202  -2.534
  271    HD2  TYR  34           HD2      TYR  34  16.196  -1.175   0.963
  272    HE1  TYR  34           HE1      TYR  34  15.841  -5.302  -1.688
  273    HE2  TYR  34           HE2      TYR  34  17.164  -3.269   1.820
  274    HH   TYR  34           HH       TYR  34  17.503  -6.067  -0.140
  275    HN1  NH2  35           HN1      NH2  35  14.969   0.022  -4.211
  276    HN2  NH2  35           HN2      NH2  35  16.288  -0.703  -5.064
  Start of MODEL    4
    1    H1   ACE   0           HA1      ACE   0  14.404  -2.399   2.852
    2    H2   ACE   0           HA2      ACE   0  15.758  -3.351   2.251
    3    H3   ACE   0           HA3      ACE   0  15.912  -2.535   3.804
    4    HA   PRO   1           HA       PRO   1  13.700  -4.761   1.175
    5    HB2  PRO   1           HB2      PRO   1  12.509  -7.296   2.246
    6    HB3  PRO   1           HB1      PRO   1  13.088  -6.938   0.607
    7    HG2  PRO   1           HG2      PRO   1  14.516  -8.447   2.230
    8    HG3  PRO   1           HG1      PRO   1  15.293  -7.265   1.159
    9    HD2  PRO   1           HD2      PRO   1  14.855  -7.126   4.104
   10    HD3  PRO   1           HD1      PRO   1  16.190  -6.480   3.131
   11    HA   PRO   2           HA       PRO   2  10.276  -2.900   3.380
   12    HB2  PRO   2           HB2      PRO   2   9.127  -1.738   1.179
   13    HB3  PRO   2           HB1      PRO   2  10.509  -1.048   2.046
   14    HG2  PRO   2           HG2      PRO   2  10.439  -2.553  -0.503
   15    HG3  PRO   2           HG1      PRO   2  11.480  -1.205  -0.009
   16    HD2  PRO   2           HD2      PRO   2  12.289  -3.817  -0.055
   17    HD3  PRO   2           HD1      PRO   2  13.004  -2.581   0.998
   18    H    LYS   3           HN       LYS   3   8.124  -3.338   3.687
   19    HA   LYS   3           HA       LYS   3   7.092  -5.639   2.195
   20    HB2  LYS   3           HB2      LYS   3   7.217  -5.854   4.650
   21    HB3  LYS   3           HB1      LYS   3   6.169  -4.453   4.821
   22    HG2  LYS   3           HG2      LYS   3   4.357  -5.649   3.739
   23    HG3  LYS   3           HG1      LYS   3   5.406  -7.047   3.501
   24    HD2  LYS   3           HD2      LYS   3   5.655  -7.247   5.942
   25    HD3  LYS   3           HD1      LYS   3   4.552  -5.884   6.149
   26    HE2  LYS   3           HE2      LYS   3   3.374  -7.989   6.449
   27    HE3  LYS   3           HE1      LYS   3   2.789  -7.149   5.014
   28    HZ1  LYS   3           HZ1      LYS   3   4.763  -9.369   4.995
   29    HZ2  LYS   3           HZ2      LYS   3   4.107  -8.602   3.638
   30    HZ3  LYS   3           HZ3      LYS   3   3.118  -9.531   4.643
   31    H    LYS   4           HN       LYS   4   5.441  -5.441   0.844
   32    HA   LYS   4           HA       LYS   4   4.269  -2.826   0.433
   33    HB2  LYS   4           HB2      LYS   4   4.974  -4.259  -1.485
   34    HB3  LYS   4           HB1      LYS   4   3.743  -5.431  -1.021
   35    HG2  LYS   4           HG2      LYS   4   1.998  -3.768  -1.443
   36    HG3  LYS   4           HG1      LYS   4   3.230  -2.593  -1.908
   37    HD2  LYS   4           HD2      LYS   4   2.288  -3.559  -3.898
   38    HD3  LYS   4           HD1      LYS   4   3.945  -4.134  -3.716
   39    HE2  LYS   4           HE2      LYS   4   3.082  -6.223  -2.734
   40    HE3  LYS   4           HE1      LYS   4   1.437  -5.646  -2.991
   41    HZ1  LYS   4           HZ1      LYS   4   3.456  -6.172  -5.102
   42    HZ2  LYS   4           HZ2      LYS   4   1.905  -5.561  -5.375
   43    HZ3  LYS   4           HZ3      LYS   4   2.103  -7.123  -4.757
   44    HA   PRO   5           HA       PRO   5   0.763  -3.764   3.049
   45    HB2  PRO   5           HB2      PRO   5  -0.854  -1.747   2.077
   46    HB3  PRO   5           HB1      PRO   5   0.371  -1.529   3.341
   47    HG2  PRO   5           HG2      PRO   5   0.533  -0.916   0.439
   48    HG3  PRO   5           HG1      PRO   5   1.163  -0.007   1.826
   49    HD2  PRO   5           HD2      PRO   5   2.769  -1.522   0.294
   50    HD3  PRO   5           HD1      PRO   5   3.022  -1.351   2.045
   51    H    LYS   6           HN       LYS   6  -1.319  -4.616   2.814
   52    HA   LYS   6           HA       LYS   6  -1.678  -6.044   0.350
   53    HB2  LYS   6           HB2      LYS   6  -3.293  -5.975   2.903
   54    HB3  LYS   6           HB1      LYS   6  -3.627  -7.053   1.554
   55    HG2  LYS   6           HG2      LYS   6  -1.425  -8.070   1.820
   56    HG3  LYS   6           HG1      LYS   6  -1.086  -6.984   3.168
   57    HD2  LYS   6           HD2      LYS   6  -2.939  -7.942   4.421
   58    HD3  LYS   6           HD1      LYS   6  -3.325  -9.004   3.065
   59    HE2  LYS   6           HE2      LYS   6  -0.743  -9.007   4.625
   60    HE3  LYS   6           HE1      LYS   6  -2.052 -10.170   4.810
   61    HZ1  LYS   6           HZ1      LYS   6  -0.472  -9.739   2.334
   62    HZ2  LYS   6           HZ2      LYS   6  -1.708 -10.872   2.528
   63    HZ3  LYS   6           HZ3      LYS   6  -0.275 -11.026   3.411
   64    H    LYS   7           HN       LYS   7  -2.679  -5.250  -1.336
   65    HA   LYS   7           HA       LYS   7  -4.230  -2.884  -1.310
   66    HB2  LYS   7           HB2      LYS   7  -3.021  -3.483  -3.323
   67    HB3  LYS   7           HB1      LYS   7  -3.874  -5.016  -3.429
   68    HG2  LYS   7           HG2      LYS   7  -5.989  -3.770  -3.789
   69    HG3  LYS   7           HG1      LYS   7  -5.055  -2.267  -3.827
   70    HD2  LYS   7           HD2      LYS   7  -4.441  -4.585  -5.653
   71    HD3  LYS   7           HD1      LYS   7  -5.637  -3.361  -6.072
   72    HE2  LYS   7           HE2      LYS   7  -2.775  -2.714  -5.361
   73    HE3  LYS   7           HE1      LYS   7  -3.330  -2.994  -7.010
   74    HZ1  LYS   7           HZ1      LYS   7  -4.334  -0.867  -5.192
   75    HZ2  LYS   7           HZ2      LYS   7  -4.878  -1.149  -6.766
   76    HZ3  LYS   7           HZ3      LYS   7  -3.288  -0.641  -6.501
   77    HA   PRO   8           HA       PRO   8  -8.090  -4.770   0.007
   78    HB2  PRO   8           HB2      PRO   8  -9.139  -2.086  -0.618
   79    HB3  PRO   8           HB1      PRO   8  -9.167  -2.975   0.912
   80    HG2  PRO   8           HG2      PRO   8  -7.609  -0.840   0.541
   81    HG3  PRO   8           HG1      PRO   8  -7.135  -2.206   1.569
   82    HD2  PRO   8           HD2      PRO   8  -6.226  -1.513  -1.182
   83    HD3  PRO   8           HD1      PRO   8  -5.317  -2.212   0.178
   84    H    GLY   9           HN       GLY   9  -9.184  -5.998  -1.368
   85    HA2  GLY   9           HA2      GLY   9 -10.229  -4.745  -3.819
   86    HA3  GLY   9           HA1      GLY   9  -9.457  -6.322  -3.886
   87    H    ASP  10           HN       ASP  10 -10.451  -7.453  -1.578
   88    HA   ASP  10           HA       ASP  10 -13.165  -8.052  -2.439
   89    HB2  ASP  10           HB2      ASP  10 -11.654  -9.922  -1.962
   90    HB3  ASP  10           HB1      ASP  10 -11.430  -9.339  -0.315
   91    H    ASN  11           HN       ASN  11 -14.799  -6.950  -1.643
   92    HA   ASN  11           HA       ASN  11 -16.097  -5.639  -0.322
   93    HB2  ASN  11           HB2      ASN  11 -14.862  -7.398   1.790
   94    HB3  ASN  11           HB1      ASN  11 -16.141  -6.239   2.132
   95   HD21  ASN  11          HD21      ASN  11 -16.242  -9.076   2.467
   96   HD22  ASN  11          HD22      ASN  11 -17.508  -9.662   1.445
   97    H    ALA  12           HN       ALA  12 -14.667  -3.868  -1.027
   98    HA   ALA  12           HA       ALA  12 -13.652  -2.484   1.322
   99    HB1  ALA  12           HB1      ALA  12 -12.000  -2.804  -1.177
  100    HB2  ALA  12           HB2      ALA  12 -11.698  -3.610   0.363
  101    HB3  ALA  12           HB3      ALA  12 -11.573  -1.853   0.246
  102    H    THR  13           HN       THR  13 -13.933  -0.325   1.263
  103    HA   THR  13           HA       THR  13 -15.510   0.773  -0.889
  104    HB   THR  13           HB       THR  13 -15.482   2.842   0.514
  105    HG1  THR  13           HG1      THR  13 -14.690   2.100   2.809
  106   HG21  THR  13          HG21      THR  13 -16.295   0.323   1.956
  107   HG22  THR  13          HG22      THR  13 -17.255   1.171   0.744
  108   HG23  THR  13          HG23      THR  13 -16.897   1.949   2.286
  109    HA   PRO  14           HA       PRO  14 -12.299   2.764  -3.248
  110    HB2  PRO  14           HB2      PRO  14 -13.894   5.265  -2.908
  111    HB3  PRO  14           HB1      PRO  14 -13.272   4.520  -4.394
  112    HG2  PRO  14           HG2      PRO  14 -15.826   4.348  -3.814
  113    HG3  PRO  14           HG1      PRO  14 -14.953   2.951  -4.481
  114    HD2  PRO  14           HD2      PRO  14 -15.831   3.448  -1.666
  115    HD3  PRO  14           HD1      PRO  14 -15.799   1.931  -2.586
  116    H    GLU  15           HN       GLU  15 -13.523   4.385  -0.369
  117    HA   GLU  15           HA       GLU  15 -11.340   6.136  -0.008
  118    HB2  GLU  15           HB2      GLU  15 -13.261   5.044   2.050
  119    HB3  GLU  15           HB1      GLU  15 -12.204   6.431   2.269
  120    HG2  GLU  15           HG2      GLU  15 -14.504   6.192   0.352
  121    HG3  GLU  15           HG1      GLU  15 -14.427   7.193   1.797
  122    H    LYS  16           HN       LYS  16 -11.902   2.803   0.845
  123    HA   LYS  16           HA       LYS  16  -9.754   2.570   2.697
  124    HB2  LYS  16           HB2      LYS  16 -11.662   1.008   2.647
  125    HB3  LYS  16           HB1      LYS  16 -11.156   0.441   1.062
  126    HG2  LYS  16           HG2      LYS  16 -10.527  -1.121   2.823
  127    HG3  LYS  16           HG1      LYS  16  -9.103  -0.452   2.024
  128    HD2  LYS  16           HD2      LYS  16  -8.651   0.993   3.854
  129    HD3  LYS  16           HD1      LYS  16 -10.218   0.659   4.591
  130    HE2  LYS  16           HE2      LYS  16  -8.347  -0.505   5.715
  131    HE3  LYS  16           HE1      LYS  16  -9.561  -1.608   5.078
  132    HZ1  LYS  16           HZ1      LYS  16  -8.145  -2.126   3.243
  133    HZ2  LYS  16           HZ2      LYS  16  -7.251  -2.321   4.663
  134    HZ3  LYS  16           HZ3      LYS  16  -7.017  -0.953   3.700
  135    H    LEU  17           HN       LEU  17 -10.112   2.247  -0.769
  136    HA   LEU  17           HA       LEU  17  -7.503   1.279  -1.283
  137    HB2  LEU  17           HB2      LEU  17  -9.588   2.634  -2.937
  138    HB3  LEU  17           HB1      LEU  17  -7.957   2.496  -3.569
  139    HG   LEU  17           HG       LEU  17  -9.224   0.685  -4.458
  140   HD11  LEU  17          HD11      LEU  17  -8.004  -1.242  -3.656
  141   HD12  LEU  17          HD12      LEU  17  -7.571  -0.383  -2.181
  142   HD13  LEU  17          HD13      LEU  17  -6.937   0.158  -3.731
  143   HD21  LEU  17          HD21      LEU  17  -9.991  -0.035  -1.633
  144   HD22  LEU  17          HD22      LEU  17 -10.425  -0.921  -3.093
  145   HD23  LEU  17          HD23      LEU  17 -11.054   0.704  -2.830
  146    H    ALA  18           HN       ALA  18  -8.855   4.499  -0.897
  147    HA   ALA  18           HA       ALA  18  -6.566   5.957  -1.644
  148    HB1  ALA  18           HB1      ALA  18  -8.706   6.713   0.336
  149    HB2  ALA  18           HB2      ALA  18  -8.791   6.962  -1.407
  150    HB3  ALA  18           HB3      ALA  18  -7.579   7.818  -0.453
  151    H    ALA  19           HN       ALA  19  -7.616   4.517   1.371
  152    HA   ALA  19           HA       ALA  19  -5.538   5.438   3.019
  153    HB1  ALA  19           HB1      ALA  19  -7.607   4.366   3.835
  154    HB2  ALA  19           HB2      ALA  19  -6.149   3.643   4.510
  155    HB3  ALA  19           HB3      ALA  19  -7.019   2.823   3.215
  156    H    TYR  20           HN       TYR  20  -5.856   2.555   0.994
  157    HA   TYR  20           HA       TYR  20  -3.374   1.400   1.592
  158    HB2  TYR  20           HB2      TYR  20  -5.008   0.086   0.429
  159    HB3  TYR  20           HB1      TYR  20  -5.095   1.255  -0.882
  160    HD1  TYR  20           HD1      TYR  20  -3.845   0.903  -2.804
  161    HD2  TYR  20           HD2      TYR  20  -2.675  -1.019   0.800
  162    HE1  TYR  20           HE1      TYR  20  -2.113  -0.343  -4.037
  163    HE2  TYR  20           HE2      TYR  20  -0.949  -2.272  -0.423
  164    HH   TYR  20           HH       TYR  20  -0.377  -2.966  -2.593
  165    H    GLU  21           HN       GLU  21  -4.324   3.676  -0.962
  166    HA   GLU  21           HA       GLU  21  -1.829   3.794  -2.231
  167    HB2  GLU  21           HB2      GLU  21  -4.027   5.855  -2.062
  168    HB3  GLU  21           HB1      GLU  21  -2.619   6.014  -3.100
  169    HG2  GLU  21           HG2      GLU  21  -3.279   3.923  -4.250
  170    HG3  GLU  21           HG1      GLU  21  -4.732   3.871  -3.251
  171    H    LYS  22           HN       LYS  22  -3.001   5.335   0.661
  172    HA   LYS  22           HA       LYS  22  -0.958   7.271   0.918
  173    HB2  LYS  22           HB2      LYS  22  -3.005   7.399   2.226
  174    HB3  LYS  22           HB1      LYS  22  -2.624   5.882   3.023
  175    HG2  LYS  22           HG2      LYS  22  -2.142   7.663   4.526
  176    HG3  LYS  22           HG1      LYS  22  -0.612   6.963   3.995
  177    HD2  LYS  22           HD2      LYS  22  -0.366   8.793   2.364
  178    HD3  LYS  22           HD1      LYS  22  -1.875   9.500   2.950
  179    HE2  LYS  22           HE2      LYS  22  -0.865   9.672   5.203
  180    HE3  LYS  22           HE1      LYS  22   0.653   9.075   4.537
  181    HZ1  LYS  22           HZ1      LYS  22  -0.730  11.590   3.792
  182    HZ2  LYS  22           HZ2      LYS  22   0.663  11.006   3.040
  183    HZ3  LYS  22           HZ3      LYS  22   0.710  11.454   4.669
  184    H    GLU  23           HN       GLU  23  -1.295   3.949   2.117
  185    HA   GLU  23           HA       GLU  23   1.310   3.951   3.309
  186    HB2  GLU  23           HB2      GLU  23  -0.584   1.677   2.685
  187    HB3  GLU  23           HB1      GLU  23   0.915   1.505   3.596
  188    HG2  GLU  23           HG2      GLU  23  -0.014   3.201   5.214
  189    HG3  GLU  23           HG1      GLU  23  -1.558   3.029   4.370
  190    H    LEU  24           HN       LEU  24  -0.043   3.109   0.227
  191    HA   LEU  24           HA       LEU  24   2.105   1.648  -0.845
  192    HB2  LEU  24           HB2      LEU  24  -0.123   1.849  -1.916
  193    HB3  LEU  24           HB1      LEU  24   0.224   3.528  -2.285
  194    HG   LEU  24           HG       LEU  24   2.150   2.777  -3.679
  195   HD11  LEU  24          HD11      LEU  24   2.313   0.455  -4.334
  196   HD12  LEU  24          HD12      LEU  24   0.971   0.035  -3.269
  197   HD13  LEU  24          HD13      LEU  24   2.494   0.608  -2.586
  198   HD21  LEU  24          HD21      LEU  24   0.789   2.029  -5.556
  199   HD22  LEU  24          HD22      LEU  24  -0.006   3.335  -4.677
  200   HD23  LEU  24          HD23      LEU  24  -0.542   1.670  -4.458
  201    H    ALA  25           HN       ALA  25   1.435   5.116  -0.734
  202    HA   ALA  25           HA       ALA  25   3.633   5.993  -2.219
  203    HB1  ALA  25           HB1      ALA  25   2.215   7.346   0.067
  204    HB2  ALA  25           HB2      ALA  25   1.777   7.441  -1.638
  205    HB3  ALA  25           HB3      ALA  25   3.297   8.141  -1.079
  206    H    ALA  26           HN       ALA  26   3.312   5.113   1.164
  207    HA   ALA  26           HA       ALA  26   5.908   5.971   1.957
  208    HB1  ALA  26           HB1      ALA  26   4.127   3.903   3.239
  209    HB2  ALA  26           HB2      ALA  26   4.059   5.637   3.549
  210    HB3  ALA  26           HB3      ALA  26   5.497   4.719   3.991
  211    H    TYR  27           HN       TYR  27   4.525   2.929   0.854
  212    HA   TYR  27           HA       TYR  27   6.848   1.355   1.136
  213    HB2  TYR  27           HB2      TYR  27   4.802   0.192   0.900
  214    HB3  TYR  27           HB1      TYR  27   4.368   1.089  -0.556
  215    HD1  TYR  27           HD1      TYR  27   6.689  -1.469   0.778
  216    HD2  TYR  27           HD2      TYR  27   4.988   0.319  -2.674
  217    HE1  TYR  27           HE1      TYR  27   7.667  -3.249  -0.616
  218    HE2  TYR  27           HE2      TYR  27   5.951  -1.452  -4.082
  219    HH   TYR  27           HH       TYR  27   7.730  -3.065  -4.045
  220    H    GLU  28           HN       GLU  28   5.524   3.166  -1.616
  221    HA   GLU  28           HA       GLU  28   7.408   2.339  -3.518
  222    HB2  GLU  28           HB2      GLU  28   5.833   4.917  -3.355
  223    HB3  GLU  28           HB1      GLU  28   6.762   4.414  -4.759
  224    HG2  GLU  28           HG2      GLU  28   5.347   2.453  -5.019
  225    HG3  GLU  28           HG1      GLU  28   4.416   2.915  -3.590
  226    H    LYS  29           HN       LYS  29   7.530   4.839  -1.086
  227    HA   LYS  29           HA       LYS  29   9.804   6.210  -2.046
  228    HB2  LYS  29           HB2      LYS  29   8.268   7.117  -0.327
  229    HB3  LYS  29           HB1      LYS  29   8.835   5.895   0.804
  230    HG2  LYS  29           HG2      LYS  29  11.066   6.845   0.758
  231    HG3  LYS  29           HG1      LYS  29  10.557   8.038  -0.437
  232    HD2  LYS  29           HD2      LYS  29   8.953   8.962   1.183
  233    HD3  LYS  29           HD1      LYS  29   9.485   7.775   2.378
  234    HE2  LYS  29           HE2      LYS  29  11.731   8.717   2.328
  235    HE3  LYS  29           HE1      LYS  29  11.231   9.875   1.097
  236    HZ1  LYS  29           HZ1      LYS  29  11.261  10.847   3.318
  237    HZ2  LYS  29           HZ2      LYS  29  10.117   9.719   3.844
  238    HZ3  LYS  29           HZ3      LYS  29   9.701  10.855   2.665
  239    H    GLU  30           HN       GLU  30   9.411   3.592   0.319
  240    HA   GLU  30           HA       GLU  30  12.172   3.237   0.822
  241    HB2  GLU  30           HB2      GLU  30   9.935   1.223   1.105
  242    HB3  GLU  30           HB1      GLU  30  11.531   1.105   1.828
  243    HG2  GLU  30           HG2      GLU  30   9.412   3.137   2.449
  244    HG3  GLU  30           HG1      GLU  30   9.958   1.818   3.481
  245    H    LEU  31           HN       LEU  31   9.952   1.934  -1.541
  246    HA   LEU  31           HA       LEU  31  11.549  -0.167  -2.516
  247    HB2  LEU  31           HB2      LEU  31   9.111   0.164  -2.992
  248    HB3  LEU  31           HB1      LEU  31   9.544   1.476  -4.073
  249    HG   LEU  31           HG       LEU  31  10.810  -0.122  -5.472
  250   HD11  LEU  31          HD11      LEU  31  11.355  -1.759  -3.766
  251   HD12  LEU  31          HD12      LEU  31  10.489  -2.522  -5.101
  252   HD13  LEU  31          HD13      LEU  31   9.648  -2.168  -3.591
  253   HD21  LEU  31          HD21      LEU  31   7.929  -0.857  -4.967
  254   HD22  LEU  31          HD22      LEU  31   8.851  -1.234  -6.424
  255   HD23  LEU  31          HD23      LEU  31   8.501   0.445  -6.010
  256    H    ALA  32           HN       ALA  32  11.217   3.199  -3.582
  257    HA   ALA  32           HA       ALA  32  13.010   3.065  -5.733
  258    HB1  ALA  32           HB1      ALA  32  12.324   5.434  -4.010
  259    HB2  ALA  32           HB2      ALA  32  11.416   4.882  -5.416
  260    HB3  ALA  32           HB3      ALA  32  13.059   5.492  -5.613
  261    H    ALA  33           HN       ALA  33  13.526   3.406  -2.307
  262    HA   ALA  33           HA       ALA  33  16.286   4.168  -2.549
  263    HB1  ALA  33           HB1      ALA  33  14.943   4.852  -0.627
  264    HB2  ALA  33           HB2      ALA  33  16.349   3.913  -0.128
  265    HB3  ALA  33           HB3      ALA  33  14.754   3.162  -0.160
  266    H    TYR  34           HN       TYR  34  14.468   1.211  -2.228
  267    HA   TYR  34           HA       TYR  34  16.691  -0.449  -1.536
  268    HB2  TYR  34           HB2      TYR  34  14.380  -1.087  -0.972
  269    HB3  TYR  34           HB1      TYR  34  13.979  -1.171  -2.683
  270    HD1  TYR  34           HD1      TYR  34  14.220  -3.176  -3.841
  271    HD2  TYR  34           HD2      TYR  34  16.229  -2.668  -0.129
  272    HE1  TYR  34           HE1      TYR  34  14.895  -5.539  -3.895
  273    HE2  TYR  34           HE2      TYR  34  16.912  -5.035  -0.168
  274    HH   TYR  34           HH       TYR  34  16.653  -6.966  -2.956
  275    HN1  NH2  35           HN1      NH2  35  14.793  -0.044  -4.505
  276    HN2  NH2  35           HN2      NH2  35  16.032  -0.581  -5.585
  Start of MODEL    5
    1    H1   ACE   0           HA1      ACE   0  14.309  -2.470   2.255
    2    H2   ACE   0           HA2      ACE   0  15.868  -3.279   2.390
    3    H3   ACE   0           HA3      ACE   0  15.442  -2.047   3.572
    4    HA   PRO   1           HA       PRO   1  13.092  -4.523   1.375
    5    HB2  PRO   1           HB2      PRO   1  11.550  -6.740   2.131
    6    HB3  PRO   1           HB1      PRO   1  12.960  -6.788   1.056
    7    HG2  PRO   1           HG2      PRO   1  12.768  -7.429   3.944
    8    HG3  PRO   1           HG1      PRO   1  13.757  -8.178   2.673
    9    HD2  PRO   1           HD2      PRO   1  14.843  -6.494   4.458
   10    HD3  PRO   1           HD1      PRO   1  15.380  -6.518   2.766
   11    HA   PRO   2           HA       PRO   2  10.073  -2.281   3.794
   12    HB2  PRO   2           HB2      PRO   2   8.732  -1.220   1.643
   13    HB3  PRO   2           HB1      PRO   2  10.230  -0.547   2.307
   14    HG2  PRO   2           HG2      PRO   2   9.812  -2.184  -0.116
   15    HG3  PRO   2           HG1      PRO   2  10.993  -0.903   0.202
   16    HD2  PRO   2           HD2      PRO   2  11.569  -3.589   0.229
   17    HD3  PRO   2           HD1      PRO   2  12.512  -2.354   1.084
   18    H    LYS   3           HN       LYS   3   7.989  -2.605   4.428
   19    HA   LYS   3           HA       LYS   3   6.802  -5.088   3.549
   20    HB2  LYS   3           HB2      LYS   3   5.189  -4.681   5.412
   21    HB3  LYS   3           HB1      LYS   3   6.870  -4.688   5.926
   22    HG2  LYS   3           HG2      LYS   3   6.894  -2.299   6.081
   23    HG3  LYS   3           HG1      LYS   3   5.284  -2.191   5.373
   24    HD2  LYS   3           HD2      LYS   3   4.409  -3.465   7.321
   25    HD3  LYS   3           HD1      LYS   3   6.020  -3.396   8.036
   26    HE2  LYS   3           HE2      LYS   3   5.927  -0.955   8.010
   27    HE3  LYS   3           HE1      LYS   3   4.317  -1.022   7.296
   28    HZ1  LYS   3           HZ1      LYS   3   5.079  -2.057   9.972
   29    HZ2  LYS   3           HZ2      LYS   3   3.538  -2.158   9.290
   30    HZ3  LYS   3           HZ3      LYS   3   4.196  -0.647   9.667
   31    H    LYS   4           HN       LYS   4   5.252  -5.271   2.080
   32    HA   LYS   4           HA       LYS   4   3.990  -2.854   1.063
   33    HB2  LYS   4           HB2      LYS   4   4.984  -4.584  -0.486
   34    HB3  LYS   4           HB1      LYS   4   3.706  -5.684   0.026
   35    HG2  LYS   4           HG2      LYS   4   2.033  -4.051  -0.810
   36    HG3  LYS   4           HG1      LYS   4   3.357  -3.063  -1.427
   37    HD2  LYS   4           HD2      LYS   4   2.557  -4.345  -3.254
   38    HD3  LYS   4           HD1      LYS   4   4.086  -5.075  -2.762
   39    HE2  LYS   4           HE2      LYS   4   2.885  -6.810  -1.542
   40    HE3  LYS   4           HE1      LYS   4   1.346  -6.053  -1.948
   41    HZ1  LYS   4           HZ1      LYS   4   1.844  -6.462  -4.301
   42    HZ2  LYS   4           HZ2      LYS   4   1.758  -7.891  -3.407
   43    HZ3  LYS   4           HZ3      LYS   4   3.261  -7.273  -3.859
   44    HA   PRO   5           HA       PRO   5   0.350  -3.683   3.574
   45    HB2  PRO   5           HB2      PRO   5  -1.246  -1.862   2.243
   46    HB3  PRO   5           HB1      PRO   5  -0.157  -1.450   3.581
   47    HG2  PRO   5           HG2      PRO   5   0.259  -1.141   0.653
   48    HG3  PRO   5           HG1      PRO   5   0.710  -0.056   1.983
   49    HD2  PRO   5           HD2      PRO   5   2.526  -1.630   0.791
   50    HD3  PRO   5           HD1      PRO   5   2.588  -1.280   2.533
   51    H    LYS   6           HN       LYS   6  -1.645  -4.713   3.243
   52    HA   LYS   6           HA       LYS   6  -1.730  -6.419   0.992
   53    HB2  LYS   6           HB2      LYS   6  -3.708  -5.872   3.198
   54    HB3  LYS   6           HB1      LYS   6  -3.988  -7.077   1.946
   55    HG2  LYS   6           HG2      LYS   6  -1.992  -8.275   2.621
   56    HG3  LYS   6           HG1      LYS   6  -1.644  -7.046   3.835
   57    HD2  LYS   6           HD2      LYS   6  -3.677  -7.602   5.026
   58    HD3  LYS   6           HD1      LYS   6  -4.114  -8.775   3.781
   59    HE2  LYS   6           HE2      LYS   6  -2.155 -10.104   4.310
   60    HE3  LYS   6           HE1      LYS   6  -1.635  -8.906   5.494
   61    HZ1  LYS   6           HZ1      LYS   6  -2.730 -10.820   6.513
   62    HZ2  LYS   6           HZ2      LYS   6  -4.148 -10.480   5.657
   63    HZ3  LYS   6           HZ3      LYS   6  -3.573  -9.387   6.813
   64    H    LYS   7           HN       LYS   7  -2.471  -6.065  -0.933
   65    HA   LYS   7           HA       LYS   7  -3.715  -3.627  -1.693
   66    HB2  LYS   7           HB2      LYS   7  -2.176  -4.850  -3.174
   67    HB3  LYS   7           HB1      LYS   7  -3.298  -6.201  -3.235
   68    HG2  LYS   7           HG2      LYS   7  -4.947  -4.778  -4.355
   69    HG3  LYS   7           HG1      LYS   7  -3.794  -3.432  -4.323
   70    HD2  LYS   7           HD2      LYS   7  -2.236  -4.699  -5.688
   71    HD3  LYS   7           HD1      LYS   7  -3.312  -6.099  -5.664
   72    HE2  LYS   7           HE2      LYS   7  -3.504  -4.870  -7.768
   73    HE3  LYS   7           HE1      LYS   7  -5.013  -4.822  -6.861
   74    HZ1  LYS   7           HZ1      LYS   7  -4.456  -2.603  -6.108
   75    HZ2  LYS   7           HZ2      LYS   7  -4.453  -2.666  -7.797
   76    HZ3  LYS   7           HZ3      LYS   7  -2.990  -2.650  -6.952
   77    HA   PRO   8           HA       PRO   8  -7.857  -5.264  -1.025
   78    HB2  PRO   8           HB2      PRO   8  -9.012  -2.878  -0.530
   79    HB3  PRO   8           HB1      PRO   8  -7.991  -3.687   0.671
   80    HG2  PRO   8           HG2      PRO   8  -7.432  -1.322  -0.970
   81    HG3  PRO   8           HG1      PRO   8  -6.754  -1.809   0.592
   82    HD2  PRO   8           HD2      PRO   8  -5.579  -2.127  -1.989
   83    HD3  PRO   8           HD1      PRO   8  -4.946  -2.674  -0.420
   84    H    GLY   9           HN       GLY   9  -9.910  -4.984  -2.086
   85    HA2  GLY   9           HA2      GLY   9  -9.954  -3.254  -4.448
   86    HA3  GLY   9           HA1      GLY   9 -10.223  -4.976  -4.682
   87    H    ASP  10           HN       ASP  10 -12.294  -5.621  -4.653
   88    HA   ASP  10           HA       ASP  10 -14.350  -3.786  -3.781
   89    HB2  ASP  10           HB2      ASP  10 -15.910  -5.255  -4.766
   90    HB3  ASP  10           HB1      ASP  10 -14.501  -5.356  -5.814
   91    H    ASN  11           HN       ASN  11 -12.431  -6.079  -2.339
   92    HA   ASN  11           HA       ASN  11 -14.312  -7.128  -0.434
   93    HB2  ASN  11           HB2      ASN  11 -12.392  -8.174   0.627
   94    HB3  ASN  11           HB1      ASN  11 -12.304  -8.416  -1.112
   95   HD21  ASN  11          HD21      ASN  11 -10.200  -8.463   0.926
   96   HD22  ASN  11          HD22      ASN  11  -9.027  -7.296   0.424
   97    H    ALA  12           HN       ALA  12 -12.912  -4.171  -0.783
   98    HA   ALA  12           HA       ALA  12 -13.229  -3.552   2.056
   99    HB1  ALA  12           HB1      ALA  12 -11.185  -2.247   2.076
  100    HB2  ALA  12           HB2      ALA  12 -10.881  -2.665   0.392
  101    HB3  ALA  12           HB3      ALA  12 -10.832  -3.916   1.632
  102    H    THR  13           HN       THR  13 -13.109  -1.076   2.327
  103    HA   THR  13           HA       THR  13 -15.046   0.073   0.549
  104    HB   THR  13           HB       THR  13 -14.854   2.059   2.011
  105    HG1  THR  13           HG1      THR  13 -13.491   1.750   3.929
  106   HG21  THR  13          HG21      THR  13 -16.378   0.220   2.596
  107   HG22  THR  13          HG22      THR  13 -15.750   1.038   4.025
  108   HG23  THR  13          HG23      THR  13 -15.095  -0.527   3.545
  109    HA   PRO  14           HA       PRO  14 -12.336   2.317  -2.236
  110    HB2  PRO  14           HB2      PRO  14 -14.116   4.647  -1.662
  111    HB3  PRO  14           HB1      PRO  14 -13.629   3.960  -3.226
  112    HG2  PRO  14           HG2      PRO  14 -16.052   3.536  -2.325
  113    HG3  PRO  14           HG1      PRO  14 -15.135   2.216  -3.087
  114    HD2  PRO  14           HD2      PRO  14 -15.649   2.705  -0.170
  115    HD3  PRO  14           HD1      PRO  14 -15.658   1.177  -1.075
  116    H    GLU  15           HN       GLU  15 -13.309   3.667   0.845
  117    HA   GLU  15           HA       GLU  15 -11.298   5.628   1.077
  118    HB2  GLU  15           HB2      GLU  15 -12.789   4.107   3.222
  119    HB3  GLU  15           HB1      GLU  15 -11.791   5.523   3.511
  120    HG2  GLU  15           HG2      GLU  15 -13.267   6.875   2.160
  121    HG3  GLU  15           HG1      GLU  15 -14.235   5.460   1.764
  122    H    LYS  16           HN       LYS  16 -11.424   2.200   1.829
  123    HA   LYS  16           HA       LYS  16  -8.933   2.060   3.173
  124    HB2  LYS  16           HB2      LYS  16 -10.645   0.320   3.402
  125    HB3  LYS  16           HB1      LYS  16 -10.486  -0.079   1.695
  126    HG2  LYS  16           HG2      LYS  16  -9.322  -1.714   3.022
  127    HG3  LYS  16           HG1      LYS  16  -8.151  -0.762   2.111
  128    HD2  LYS  16           HD2      LYS  16  -7.580   0.517   4.049
  129    HD3  LYS  16           HD1      LYS  16  -8.892  -0.207   4.977
  130    HE2  LYS  16           HE2      LYS  16  -6.504  -1.679   3.871
  131    HE3  LYS  16           HE1      LYS  16  -6.706  -1.175   5.548
  132    HZ1  LYS  16           HZ1      LYS  16  -8.404  -3.118   4.078
  133    HZ2  LYS  16           HZ2      LYS  16  -8.694  -2.589   5.656
  134    HZ3  LYS  16           HZ3      LYS  16  -7.300  -3.478   5.304
  135    H    LEU  17           HN       LEU  17  -9.943   1.848  -0.174
  136    HA   LEU  17           HA       LEU  17  -7.450   1.108  -1.257
  137    HB2  LEU  17           HB2      LEU  17  -9.917   2.364  -2.330
  138    HB3  LEU  17           HB1      LEU  17  -8.448   2.551  -3.271
  139    HG   LEU  17           HG       LEU  17  -9.735   0.675  -4.096
  140   HD11  LEU  17          HD11      LEU  17  -7.334   0.500  -4.252
  141   HD12  LEU  17          HD12      LEU  17  -8.036  -1.087  -3.939
  142   HD13  LEU  17          HD13      LEU  17  -7.251  -0.198  -2.636
  143   HD21  LEU  17          HD21      LEU  17 -10.951   0.120  -2.053
  144   HD22  LEU  17          HD22      LEU  17  -9.465  -0.497  -1.332
  145   HD23  LEU  17          HD23      LEU  17 -10.161  -1.300  -2.737
  146    H    ALA  18           HN       ALA  18  -8.894   4.261  -0.559
  147    HA   ALA  18           HA       ALA  18  -6.794   5.840  -1.538
  148    HB1  ALA  18           HB1      ALA  18  -8.669   6.443   0.742
  149    HB2  ALA  18           HB2      ALA  18  -9.007   6.729  -0.965
  150    HB3  ALA  18           HB3      ALA  18  -7.714   7.619  -0.161
  151    H    ALA  19           HN       ALA  19  -7.408   4.436   1.643
  152    HA   ALA  19           HA       ALA  19  -5.141   5.411   2.966
  153    HB1  ALA  19           HB1      ALA  19  -7.030   4.346   4.106
  154    HB2  ALA  19           HB2      ALA  19  -5.495   3.602   4.549
  155    HB3  ALA  19           HB3      ALA  19  -6.568   2.796   3.406
  156    H    TYR  20           HN       TYR  20  -5.665   2.460   1.088
  157    HA   TYR  20           HA       TYR  20  -3.114   1.350   1.420
  158    HB2  TYR  20           HB2      TYR  20  -4.887  -0.015   0.544
  159    HB3  TYR  20           HB1      TYR  20  -5.115   1.070  -0.820
  160    HD1  TYR  20           HD1      TYR  20  -3.982   0.699  -2.825
  161    HD2  TYR  20           HD2      TYR  20  -2.638  -1.232   0.709
  162    HE1  TYR  20           HE1      TYR  20  -2.421  -0.647  -4.167
  163    HE2  TYR  20           HE2      TYR  20  -1.063  -2.585  -0.620
  164    HH   TYR  20           HH       TYR  20  -0.358  -1.896  -3.886
  165    H    GLU  21           HN       GLU  21  -4.412   3.473  -1.114
  166    HA   GLU  21           HA       GLU  21  -2.090   3.538  -2.681
  167    HB2  GLU  21           HB2      GLU  21  -4.317   5.553  -2.370
  168    HB3  GLU  21           HB1      GLU  21  -3.034   5.715  -3.558
  169    HG2  GLU  21           HG2      GLU  21  -3.722   3.585  -4.576
  170    HG3  GLU  21           HG1      GLU  21  -5.022   3.454  -3.392
  171    H    LYS  22           HN       LYS  22  -2.972   5.318   0.200
  172    HA   LYS  22           HA       LYS  22  -0.830   7.196   0.011
  173    HB2  LYS  22           HB2      LYS  22  -2.826   7.682   1.336
  174    HB3  LYS  22           HB1      LYS  22  -2.462   6.335   2.405
  175    HG2  LYS  22           HG2      LYS  22  -1.847   8.475   3.402
  176    HG3  LYS  22           HG1      LYS  22  -0.436   7.446   3.150
  177    HD2  LYS  22           HD2      LYS  22   0.111   8.687   1.113
  178    HD3  LYS  22           HD1      LYS  22  -1.307   9.711   1.349
  179    HE2  LYS  22           HE2      LYS  22   0.744  10.816   2.100
  180    HE3  LYS  22           HE1      LYS  22  -0.373  10.551   3.436
  181    HZ1  LYS  22           HZ1      LYS  22   1.979   8.850   2.804
  182    HZ2  LYS  22           HZ2      LYS  22   0.927   8.639   4.109
  183    HZ3  LYS  22           HZ3      LYS  22   1.913  10.008   4.031
  184    H    GLU  23           HN       GLU  23  -1.339   4.180   1.820
  185    HA   GLU  23           HA       GLU  23   1.239   4.134   2.994
  186    HB2  GLU  23           HB2      GLU  23  -0.712   1.888   2.431
  187    HB3  GLU  23           HB1      GLU  23   0.764   1.699   3.372
  188    HG2  GLU  23           HG2      GLU  23  -0.098   3.407   4.957
  189    HG3  GLU  23           HG1      GLU  23  -1.616   3.415   4.052
  190    H    LEU  24           HN       LEU  24  -0.060   3.052  -0.038
  191    HA   LEU  24           HA       LEU  24   2.115   1.483  -0.909
  192    HB2  LEU  24           HB2      LEU  24  -0.191   1.530  -1.912
  193    HB3  LEU  24           HB1      LEU  24   0.212   3.082  -2.623
  194    HG   LEU  24           HG       LEU  24   2.036   2.019  -3.899
  195   HD11  LEU  24          HD11      LEU  24   2.484   0.159  -2.367
  196   HD12  LEU  24          HD12      LEU  24   2.199  -0.400  -4.014
  197   HD13  LEU  24          HD13      LEU  24   0.933  -0.562  -2.797
  198   HD21  LEU  24          HD21      LEU  24  -0.642   0.695  -4.282
  199   HD22  LEU  24          HD22      LEU  24   0.621   0.886  -5.498
  200   HD23  LEU  24          HD23      LEU  24  -0.207   2.303  -4.854
  201    H    ALA  25           HN       ALA  25   1.332   4.911  -1.247
  202    HA   ALA  25           HA       ALA  25   3.469   5.645  -2.896
  203    HB1  ALA  25           HB1      ALA  25   1.539   7.086  -2.430
  204    HB2  ALA  25           HB2      ALA  25   3.064   7.913  -2.112
  205    HB3  ALA  25           HB3      ALA  25   2.102   7.290  -0.771
  206    H    ALA  26           HN       ALA  26   3.190   5.452   0.620
  207    HA   ALA  26           HA       ALA  26   5.806   6.353   1.196
  208    HB1  ALA  26           HB1      ALA  26   5.426   5.430   3.416
  209    HB2  ALA  26           HB2      ALA  26   4.008   4.565   2.822
  210    HB3  ALA  26           HB3      ALA  26   4.015   6.329   2.858
  211    H    TYR  27           HN       TYR  27   4.405   3.192   0.590
  212    HA   TYR  27           HA       TYR  27   6.684   1.643   1.187
  213    HB2  TYR  27           HB2      TYR  27   4.599   0.513   1.072
  214    HB3  TYR  27           HB1      TYR  27   4.259   1.147  -0.537
  215    HD1  TYR  27           HD1      TYR  27   6.399  -1.199   1.346
  216    HD2  TYR  27           HD2      TYR  27   4.967   0.001  -2.463
  217    HE1  TYR  27           HE1      TYR  27   7.376  -3.230   0.349
  218    HE2  TYR  27           HE2      TYR  27   5.923  -2.026  -3.475
  219    HH   TYR  27           HH       TYR  27   7.150  -4.624  -1.566
  220    H    GLU  28           HN       GLU  28   5.451   2.931  -1.894
  221    HA   GLU  28           HA       GLU  28   7.455   1.814  -3.516
  222    HB2  GLU  28           HB2      GLU  28   5.803   4.315  -3.948
  223    HB3  GLU  28           HB1      GLU  28   6.810   3.565  -5.176
  224    HG2  GLU  28           HG2      GLU  28   5.441   1.509  -4.990
  225    HG3  GLU  28           HG1      GLU  28   4.380   2.353  -3.857
  226    H    LYS  29           HN       LYS  29   7.385   4.669  -1.539
  227    HA   LYS  29           HA       LYS  29   9.630   5.990  -2.604
  228    HB2  LYS  29           HB2      LYS  29   7.990   7.007  -1.035
  229    HB3  LYS  29           HB1      LYS  29   8.639   6.003   0.253
  230    HG2  LYS  29           HG2      LYS  29  10.782   7.099   0.086
  231    HG3  LYS  29           HG1      LYS  29  10.226   8.045  -1.295
  232    HD2  LYS  29           HD2      LYS  29   9.122   8.182   1.517
  233    HD3  LYS  29           HD1      LYS  29  10.177   9.373   0.755
  234    HE2  LYS  29           HE2      LYS  29   8.448   9.785  -0.949
  235    HE3  LYS  29           HE1      LYS  29   7.393   8.631  -0.140
  236    HZ1  LYS  29           HZ1      LYS  29   8.427  11.144   1.049
  237    HZ2  LYS  29           HZ2      LYS  29   7.403  10.038   1.816
  238    HZ3  LYS  29           HZ3      LYS  29   6.858  10.900   0.470
  239    H    GLU  30           HN       GLU  30   9.315   3.735   0.141
  240    HA   GLU  30           HA       GLU  30  12.105   3.539   0.607
  241    HB2  GLU  30           HB2      GLU  30   9.816   1.732   1.368
  242    HB3  GLU  30           HB1      GLU  30  11.480   1.371   1.789
  243    HG2  GLU  30           HG2      GLU  30  11.547   3.620   2.933
  244    HG3  GLU  30           HG1      GLU  30   9.798   3.672   2.713
  245    H    LEU  31           HN       LEU  31   9.876   1.833  -1.465
  246    HA   LEU  31           HA       LEU  31  11.533  -0.351  -2.118
  247    HB2  LEU  31           HB2      LEU  31   9.041  -0.115  -2.555
  248    HB3  LEU  31           HB1      LEU  31   9.465   0.889  -3.930
  249    HG   LEU  31           HG       LEU  31  10.727  -1.018  -4.889
  250   HD11  LEU  31          HD11      LEU  31  11.254  -2.222  -2.867
  251   HD12  LEU  31          HD12      LEU  31  10.313  -3.259  -3.939
  252   HD13  LEU  31          HD13      LEU  31   9.543  -2.498  -2.548
  253   HD21  LEU  31          HD21      LEU  31   8.750  -2.305  -5.541
  254   HD22  LEU  31          HD22      LEU  31   8.448  -0.568  -5.583
  255   HD23  LEU  31          HD23      LEU  31   7.833  -1.537  -4.246
  256    H    ALA  32           HN       ALA  32  11.075   2.806  -3.637
  257    HA   ALA  32           HA       ALA  32  12.827   2.449  -5.789
  258    HB1  ALA  32           HB1      ALA  32  12.874   4.886  -5.914
  259    HB2  ALA  32           HB2      ALA  32  12.142   4.981  -4.313
  260    HB3  ALA  32           HB3      ALA  32  11.236   4.285  -5.657
  261    H    ALA  33           HN       ALA  33  13.386   3.450  -2.462
  262    HA   ALA  33           HA       ALA  33  16.132   4.111  -2.817
  263    HB1  ALA  33           HB1      ALA  33  16.219   4.194  -0.391
  264    HB2  ALA  33           HB2      ALA  33  14.645   3.403  -0.297
  265    HB3  ALA  33           HB3      ALA  33  14.780   5.018  -0.990
  266    H    TYR  34           HN       TYR  34  14.369   1.200  -2.229
  267    HA   TYR  34           HA       TYR  34  16.497  -0.400  -1.249
  268    HB2  TYR  34           HB2      TYR  34  14.175  -1.061  -0.922
  269    HB3  TYR  34           HB1      TYR  34  13.921  -1.141  -2.660
  270    HD1  TYR  34           HD1      TYR  34  15.712  -2.724   0.160
  271    HD2  TYR  34           HD2      TYR  34  14.422  -3.093  -3.872
  272    HE1  TYR  34           HE1      TYR  34  16.320  -5.111   0.188
  273    HE2  TYR  34           HE2      TYR  34  15.026  -5.478  -3.857
  274    HH   TYR  34           HH       TYR  34  16.496  -6.996  -2.645
  275    HN1  NH2  35           HN1      NH2  35  15.189   0.229  -4.450
  276    HN2  NH2  35           HN2      NH2  35  16.483  -0.498  -5.336
  Start of MODEL    6
    1    H1   ACE   0           HA1      ACE   0  14.344  -1.186   2.374
    2    H2   ACE   0           HA2      ACE   0  15.765  -2.011   1.739
    3    H3   ACE   0           HA3      ACE   0  15.939  -0.989   3.162
    4    HA   PRO   1           HA       PRO   1  13.614  -3.688   1.158
    5    HB2  PRO   1           HB2      PRO   1  12.598  -6.174   1.976
    6    HB3  PRO   1           HB1      PRO   1  13.883  -5.929   0.781
    7    HG2  PRO   1           HG2      PRO   1  14.086  -6.641   3.649
    8    HG3  PRO   1           HG1      PRO   1  15.088  -7.151   2.275
    9    HD2  PRO   1           HD2      PRO   1  15.966  -5.320   4.025
   10    HD3  PRO   1           HD1      PRO   1  16.347  -5.201   2.295
   11    HA   PRO   2           HA       PRO   2  10.327  -2.272   3.862
   12    HB2  PRO   2           HB2      PRO   2   8.808  -1.142   1.912
   13    HB3  PRO   2           HB1      PRO   2  10.268  -0.371   2.554
   14    HG2  PRO   2           HG2      PRO   2   9.865  -1.823   0.008
   15    HG3  PRO   2           HG1      PRO   2  10.887  -0.420   0.366
   16    HD2  PRO   2           HD2      PRO   2  11.795  -3.025   0.134
   17    HD3  PRO   2           HD1      PRO   2  12.654  -1.719   0.976
   18    H    LYS   3           HN       LYS   3   8.225  -2.906   4.333
   19    HA   LYS   3           HA       LYS   3   7.374  -5.357   2.984
   20    HB2  LYS   3           HB2      LYS   3   7.613  -5.416   5.423
   21    HB3  LYS   3           HB1      LYS   3   6.464  -4.097   5.578
   22    HG2  LYS   3           HG2      LYS   3   4.710  -5.524   4.635
   23    HG3  LYS   3           HG1      LYS   3   5.869  -6.850   4.519
   24    HD2  LYS   3           HD2      LYS   3   6.170  -6.834   6.926
   25    HD3  LYS   3           HD1      LYS   3   5.091  -5.445   7.072
   26    HE2  LYS   3           HE2      LYS   3   3.251  -6.801   6.182
   27    HE3  LYS   3           HE1      LYS   3   4.335  -8.187   6.069
   28    HZ1  LYS   3           HZ1      LYS   3   2.954  -8.216   8.080
   29    HZ2  LYS   3           HZ2      LYS   3   3.665  -6.769   8.589
   30    HZ3  LYS   3           HZ3      LYS   3   4.606  -8.167   8.442
   31    H    LYS   4           HN       LYS   4   5.556  -5.504   1.802
   32    HA   LYS   4           HA       LYS   4   4.089  -3.035   1.296
   33    HB2  LYS   4           HB2      LYS   4   4.997  -4.444  -0.592
   34    HB3  LYS   4           HB1      LYS   4   3.853  -5.700  -0.129
   35    HG2  LYS   4           HG2      LYS   4   1.994  -4.190  -0.608
   36    HG3  LYS   4           HG1      LYS   4   3.135  -2.922  -1.056
   37    HD2  LYS   4           HD2      LYS   4   4.000  -4.363  -2.856
   38    HD3  LYS   4           HD1      LYS   4   2.811  -5.592  -2.424
   39    HE2  LYS   4           HE2      LYS   4   0.999  -4.071  -2.964
   40    HE3  LYS   4           HE1      LYS   4   2.150  -2.782  -3.311
   41    HZ1  LYS   4           HZ1      LYS   4   1.333  -3.853  -5.326
   42    HZ2  LYS   4           HZ2      LYS   4   1.945  -5.341  -4.807
   43    HZ3  LYS   4           HZ3      LYS   4   3.001  -4.068  -5.156
   44    HA   PRO   5           HA       PRO   5   0.821  -4.528   3.960
   45    HB2  PRO   5           HB2      PRO   5  -0.876  -2.438   2.844
   46    HB3  PRO   5           HB1      PRO   5  -0.204  -2.571   4.477
   47    HG2  PRO   5           HG2      PRO   5   0.577  -0.693   2.688
   48    HG3  PRO   5           HG1      PRO   5   1.621  -1.323   3.980
   49    HD2  PRO   5           HD2      PRO   5   1.611  -1.975   1.071
   50    HD3  PRO   5           HD1      PRO   5   2.979  -1.835   2.198
   51    H    LYS   6           HN       LYS   6  -1.304  -5.444   3.761
   52    HA   LYS   6           HA       LYS   6  -1.684  -6.818   1.294
   53    HB2  LYS   6           HB2      LYS   6  -3.457  -6.642   3.739
   54    HB3  LYS   6           HB1      LYS   6  -3.701  -7.758   2.402
   55    HG2  LYS   6           HG2      LYS   6  -1.528  -8.787   2.882
   56    HG3  LYS   6           HG1      LYS   6  -1.323  -7.685   4.246
   57    HD2  LYS   6           HD2      LYS   6  -3.383  -8.597   5.251
   58    HD3  LYS   6           HD1      LYS   6  -3.500  -9.748   3.919
   59    HE2  LYS   6           HE2      LYS   6  -1.223  -9.549   5.890
   60    HE3  LYS   6           HE1      LYS   6  -2.495 -10.768   5.906
   61    HZ1  LYS   6           HZ1      LYS   6  -0.603 -10.375   3.658
   62    HZ2  LYS   6           HZ2      LYS   6  -1.717 -11.631   3.840
   63    HZ3  LYS   6           HZ3      LYS   6  -0.392 -11.519   4.882
   64    H    LYS   7           HN       LYS   7  -2.583  -6.005  -0.442
   65    HA   LYS   7           HA       LYS   7  -4.077  -3.585  -0.455
   66    HB2  LYS   7           HB2      LYS   7  -2.671  -4.240  -2.364
   67    HB3  LYS   7           HB1      LYS   7  -3.662  -5.670  -2.614
   68    HG2  LYS   7           HG2      LYS   7  -5.597  -4.192  -3.081
   69    HG3  LYS   7           HG1      LYS   7  -4.503  -2.806  -2.974
   70    HD2  LYS   7           HD2      LYS   7  -3.240  -3.564  -4.851
   71    HD3  LYS   7           HD1      LYS   7  -4.089  -5.111  -4.869
   72    HE2  LYS   7           HE2      LYS   7  -5.344  -2.414  -5.391
   73    HE3  LYS   7           HE1      LYS   7  -4.893  -3.588  -6.627
   74    HZ1  LYS   7           HZ1      LYS   7  -6.871  -4.079  -4.464
   75    HZ2  LYS   7           HZ2      LYS   7  -6.471  -5.143  -5.715
   76    HZ3  LYS   7           HZ3      LYS   7  -7.256  -3.685  -6.064
   77    HA   PRO   8           HA       PRO   8  -8.149  -5.394   0.258
   78    HB2  PRO   8           HB2      PRO   8  -9.057  -2.774  -0.767
   79    HB3  PRO   8           HB1      PRO   8  -9.389  -3.546   0.793
   80    HG2  PRO   8           HG2      PRO   8  -7.781  -1.433   0.595
   81    HG3  PRO   8           HG1      PRO   8  -7.502  -2.734   1.770
   82    HD2  PRO   8           HD2      PRO   8  -6.116  -2.201  -0.817
   83    HD3  PRO   8           HD1      PRO   8  -5.454  -2.779   0.730
   84    H    GLY   9           HN       GLY   9  -9.719  -6.243  -1.089
   85    HA2  GLY   9           HA2      GLY   9  -8.994  -6.214  -3.918
   86    HA3  GLY   9           HA1      GLY   9 -10.013  -7.402  -3.124
   87    H    ASP  10           HN       ASP  10 -11.979  -7.334  -4.004
   88    HA   ASP  10           HA       ASP  10 -13.000  -4.875  -5.151
   89    HB2  ASP  10           HB2      ASP  10 -14.162  -7.664  -5.030
   90    HB3  ASP  10           HB1      ASP  10 -14.941  -6.302  -5.822
   91    H    ASN  11           HN       ASN  11 -13.348  -6.699  -2.268
   92    HA   ASN  11           HA       ASN  11 -15.858  -5.402  -1.562
   93    HB2  ASN  11           HB2      ASN  11 -14.226  -7.502  -0.120
   94    HB3  ASN  11           HB1      ASN  11 -15.726  -6.821   0.496
   95   HD21  ASN  11          HD21      ASN  11 -14.291  -8.912  -1.877
   96   HD22  ASN  11          HD22      ASN  11 -15.766  -9.631  -2.425
   97    H    ALA  12           HN       ALA  12 -14.457  -3.367  -1.757
   98    HA   ALA  12           HA       ALA  12 -14.053  -2.393   0.901
   99    HB1  ALA  12           HB1      ALA  12 -11.891  -3.450   0.580
  100    HB2  ALA  12           HB2      ALA  12 -11.721  -1.695   0.612
  101    HB3  ALA  12           HB3      ALA  12 -11.660  -2.561  -0.924
  102    H    THR  13           HN       THR  13 -14.168  -0.186   1.006
  103    HA   THR  13           HA       THR  13 -15.285   1.115  -1.290
  104    HB   THR  13           HB       THR  13 -15.430   3.089   0.244
  105    HG1  THR  13           HG1      THR  13 -14.906   1.626   2.495
  106   HG21  THR  13          HG21      THR  13 -17.136   2.121   1.693
  107   HG22  THR  13          HG22      THR  13 -16.535   0.503   1.331
  108   HG23  THR  13          HG23      THR  13 -17.260   1.481   0.055
  109    HA   PRO  14           HA       PRO  14 -11.779   3.261  -3.011
  110    HB2  PRO  14           HB2      PRO  14 -13.413   5.736  -2.597
  111    HB3  PRO  14           HB1      PRO  14 -12.569   5.176  -4.056
  112    HG2  PRO  14           HG2      PRO  14 -15.174   4.942  -3.895
  113    HG3  PRO  14           HG1      PRO  14 -14.192   3.622  -4.570
  114    HD2  PRO  14           HD2      PRO  14 -15.500   3.809  -1.887
  115    HD3  PRO  14           HD1      PRO  14 -15.296   2.401  -2.946
  116    H    GLU  15           HN       GLU  15 -13.339   4.691  -0.166
  117    HA   GLU  15           HA       GLU  15 -11.134   6.281   0.617
  118    HB2  GLU  15           HB2      GLU  15 -13.454   6.634   1.439
  119    HB3  GLU  15           HB1      GLU  15 -13.317   5.155   2.379
  120    HG2  GLU  15           HG2      GLU  15 -11.479   6.132   3.650
  121    HG3  GLU  15           HG1      GLU  15 -11.619   7.613   2.712
  122    H    LYS  16           HN       LYS  16 -12.013   2.940   1.215
  123    HA   LYS  16           HA       LYS  16 -10.054   2.455   3.220
  124    HB2  LYS  16           HB2      LYS  16 -12.046   1.018   2.896
  125    HB3  LYS  16           HB1      LYS  16 -11.410   0.505   1.338
  126    HG2  LYS  16           HG2      LYS  16 -10.996  -1.210   2.969
  127    HG3  LYS  16           HG1      LYS  16  -9.460  -0.477   2.505
  128    HD2  LYS  16           HD2      LYS  16  -9.429   0.842   4.531
  129    HD3  LYS  16           HD1      LYS  16 -11.032   0.254   4.976
  130    HE2  LYS  16           HE2      LYS  16  -8.620  -1.521   4.629
  131    HE3  LYS  16           HE1      LYS  16  -9.131  -0.854   6.175
  132    HZ1  LYS  16           HZ1      LYS  16 -11.252  -2.007   5.910
  133    HZ2  LYS  16           HZ2      LYS  16  -9.955  -3.090   5.900
  134    HZ3  LYS  16           HZ3      LYS  16 -10.720  -2.678   4.451
  135    H    LEU  17           HN       LEU  17 -10.167   2.160  -0.285
  136    HA   LEU  17           HA       LEU  17  -7.572   1.090  -0.614
  137    HB2  LEU  17           HB2      LEU  17  -9.520   2.464  -2.392
  138    HB3  LEU  17           HB1      LEU  17  -7.851   2.403  -2.919
  139    HG   LEU  17           HG       LEU  17  -9.022   0.593  -3.939
  140   HD11  LEU  17          HD11      LEU  17  -7.379  -0.485  -1.655
  141   HD12  LEU  17          HD12      LEU  17  -6.745   0.120  -3.184
  142   HD13  LEU  17          HD13      LEU  17  -7.757  -1.323  -3.158
  143   HD21  LEU  17          HD21      LEU  17  -9.859  -0.271  -1.178
  144   HD22  LEU  17          HD22      LEU  17 -10.208  -1.109  -2.690
  145   HD23  LEU  17          HD23      LEU  17 -10.904   0.482  -2.383
  146    H    ALA  18           HN       ALA  18  -8.791   4.368  -0.308
  147    HA   ALA  18           HA       ALA  18  -6.490   5.772  -1.024
  148    HB1  ALA  18           HB1      ALA  18  -8.682   6.813  -0.679
  149    HB2  ALA  18           HB2      ALA  18  -7.418   7.618   0.252
  150    HB3  ALA  18           HB3      ALA  18  -8.538   6.516   1.054
  151    H    ALA  19           HN       ALA  19  -7.502   4.384   2.047
  152    HA   ALA  19           HA       ALA  19  -5.373   5.258   3.631
  153    HB1  ALA  19           HB1      ALA  19  -6.841   2.644   3.876
  154    HB2  ALA  19           HB2      ALA  19  -7.452   4.191   4.459
  155    HB3  ALA  19           HB3      ALA  19  -5.981   3.507   5.152
  156    H    TYR  20           HN       TYR  20  -5.759   2.341   1.663
  157    HA   TYR  20           HA       TYR  20  -3.246   1.225   2.283
  158    HB2  TYR  20           HB2      TYR  20  -4.991  -0.152   1.314
  159    HB3  TYR  20           HB1      TYR  20  -5.011   0.838  -0.141
  160    HD1  TYR  20           HD1      TYR  20  -3.680   0.253  -1.958
  161    HD2  TYR  20           HD2      TYR  20  -2.768  -1.336   1.876
  162    HE1  TYR  20           HE1      TYR  20  -1.970  -1.200  -2.972
  163    HE2  TYR  20           HE2      TYR  20  -1.063  -2.795   0.870
  164    HH   TYR  20           HH       TYR  20  -0.492  -3.764  -1.238
  165    H    GLU  21           HN       GLU  21  -4.335   3.288  -0.393
  166    HA   GLU  21           HA       GLU  21  -1.912   3.292  -1.805
  167    HB2  GLU  21           HB2      GLU  21  -4.072   5.398  -1.693
  168    HB3  GLU  21           HB1      GLU  21  -2.745   5.404  -2.842
  169    HG2  GLU  21           HG2      GLU  21  -3.564   3.147  -3.622
  170    HG3  GLU  21           HG1      GLU  21  -4.997   3.425  -2.631
  171    H    LYS  22           HN       LYS  22  -2.939   5.059   1.002
  172    HA   LYS  22           HA       LYS  22  -0.946   7.066   0.945
  173    HB2  LYS  22           HB2      LYS  22  -2.981   7.230   2.317
  174    HB3  LYS  22           HB1      LYS  22  -2.432   5.880   3.298
  175    HG2  LYS  22           HG2      LYS  22  -0.529   7.211   4.071
  176    HG3  LYS  22           HG1      LYS  22  -1.073   8.566   3.078
  177    HD2  LYS  22           HD2      LYS  22  -3.167   8.653   4.357
  178    HD3  LYS  22           HD1      LYS  22  -2.618   7.302   5.348
  179    HE2  LYS  22           HE2      LYS  22  -1.290  10.006   5.149
  180    HE3  LYS  22           HE1      LYS  22  -2.299   9.449   6.481
  181    HZ1  LYS  22           HZ1      LYS  22   0.017   9.220   7.034
  182    HZ2  LYS  22           HZ2      LYS  22   0.305   8.285   5.655
  183    HZ3  LYS  22           HZ3      LYS  22  -0.675   7.684   6.894
  184    H    GLU  23           HN       GLU  23  -1.088   3.813   2.295
  185    HA   GLU  23           HA       GLU  23   1.591   3.972   3.356
  186    HB2  GLU  23           HB2      GLU  23  -0.318   1.648   3.028
  187    HB3  GLU  23           HB1      GLU  23   1.275   1.512   3.766
  188    HG2  GLU  23           HG2      GLU  23   0.571   3.176   5.465
  189    HG3  GLU  23           HG1      GLU  23  -1.049   3.146   4.760
  190    H    LEU  24           HN       LEU  24   0.003   2.798   0.484
  191    HA   LEU  24           HA       LEU  24   2.117   1.282  -0.590
  192    HB2  LEU  24           HB2      LEU  24  -0.227   1.214  -1.410
  193    HB3  LEU  24           HB1      LEU  24  -0.011   2.820  -2.082
  194    HG   LEU  24           HG       LEU  24   1.777   1.941  -3.554
  195   HD11  LEU  24          HD11      LEU  24   2.452   0.034  -2.184
  196   HD12  LEU  24          HD12      LEU  24   2.039  -0.460  -3.824
  197   HD13  LEU  24          HD13      LEU  24   0.904  -0.747  -2.506
  198   HD21  LEU  24          HD21      LEU  24   0.290   0.792  -5.091
  199   HD22  LEU  24          HD22      LEU  24  -0.521   2.167  -4.342
  200   HD23  LEU  24          HD23      LEU  24  -0.871   0.530  -3.791
  201    H    ALA  25           HN       ALA  25   1.257   4.696  -0.891
  202    HA   ALA  25           HA       ALA  25   3.195   5.427  -2.771
  203    HB1  ALA  25           HB1      ALA  25   1.321   6.856  -2.142
  204    HB2  ALA  25           HB2      ALA  25   2.856   7.704  -1.954
  205    HB3  ALA  25           HB3      ALA  25   2.018   7.069  -0.537
  206    H    ALA  26           HN       ALA  26   3.309   5.164   0.727
  207    HA   ALA  26           HA       ALA  26   5.934   6.184   1.041
  208    HB1  ALA  26           HB1      ALA  26   4.385   4.328   2.840
  209    HB2  ALA  26           HB2      ALA  26   4.307   6.089   2.874
  210    HB3  ALA  26           HB3      ALA  26   5.811   5.266   3.286
  211    H    TYR  27           HN       TYR  27   4.569   2.961   0.673
  212    HA   TYR  27           HA       TYR  27   6.933   1.490   1.004
  213    HB2  TYR  27           HB2      TYR  27   4.836   0.344   1.112
  214    HB3  TYR  27           HB1      TYR  27   4.382   0.890  -0.501
  215    HD1  TYR  27           HD1      TYR  27   5.115  -0.275  -2.443
  216    HD2  TYR  27           HD2      TYR  27   6.585  -1.370   1.386
  217    HE1  TYR  27           HE1      TYR  27   6.088  -2.316  -3.409
  218    HE2  TYR  27           HE2      TYR  27   7.573  -3.413   0.433
  219    HH   TYR  27           HH       TYR  27   7.830  -3.934  -2.941
  220    H    GLU  28           HN       GLU  28   5.330   2.678  -1.943
  221    HA   GLU  28           HA       GLU  28   7.211   1.662  -3.766
  222    HB2  GLU  28           HB2      GLU  28   5.291   3.987  -3.928
  223    HB3  GLU  28           HB1      GLU  28   6.313   3.516  -5.278
  224    HG2  GLU  28           HG2      GLU  28   4.413   1.604  -3.943
  225    HG3  GLU  28           HG1      GLU  28   3.948   2.641  -5.292
  226    H    LYS  29           HN       LYS  29   7.152   4.594  -1.862
  227    HA   LYS  29           HA       LYS  29   9.270   5.939  -3.155
  228    HB2  LYS  29           HB2      LYS  29   7.699   7.024  -1.567
  229    HB3  LYS  29           HB1      LYS  29   8.423   6.106  -0.255
  230    HG2  LYS  29           HG2      LYS  29  10.527   7.232  -0.553
  231    HG3  LYS  29           HG1      LYS  29   9.917   8.070  -1.983
  232    HD2  LYS  29           HD2      LYS  29   8.223   9.184  -0.572
  233    HD3  LYS  29           HD1      LYS  29   8.901   8.381   0.847
  234    HE2  LYS  29           HE2      LYS  29  10.422  10.246  -0.970
  235    HE3  LYS  29           HE1      LYS  29   9.683  10.717   0.559
  236    HZ1  LYS  29           HZ1      LYS  29  11.802   8.661   0.250
  237    HZ2  LYS  29           HZ2      LYS  29  11.121   9.176   1.708
  238    HZ3  LYS  29           HZ3      LYS  29  12.050  10.242   0.789
  239    H    GLU  30           HN       GLU  30   9.184   3.930  -0.230
  240    HA   GLU  30           HA       GLU  30  11.986   3.957   0.172
  241    HB2  GLU  30           HB2      GLU  30   9.879   2.051   1.203
  242    HB3  GLU  30           HB1      GLU  30  11.541   2.113   1.771
  243    HG2  GLU  30           HG2      GLU  30  11.222   4.381   2.562
  244    HG3  GLU  30           HG1      GLU  30   9.576   4.383   1.928
  245    H    LEU  31           HN       LEU  31   9.836   1.804  -1.581
  246    HA   LEU  31           HA       LEU  31  11.668  -0.296  -2.004
  247    HB2  LEU  31           HB2      LEU  31   9.171  -0.354  -2.433
  248    HB3  LEU  31           HB1      LEU  31   9.483   0.540  -3.909
  249    HG   LEU  31           HG       LEU  31  10.949  -1.328  -4.670
  250   HD11  LEU  31          HD11      LEU  31  10.750  -3.482  -3.525
  251   HD12  LEU  31          HD12      LEU  31   9.815  -2.709  -2.244
  252   HD13  LEU  31          HD13      LEU  31  11.502  -2.260  -2.498
  253   HD21  LEU  31          HD21      LEU  31   9.104  -2.830  -5.231
  254   HD22  LEU  31          HD22      LEU  31   8.644  -1.138  -5.426
  255   HD23  LEU  31          HD23      LEU  31   8.096  -2.043  -4.016
  256    H    ALA  32           HN       ALA  32  10.960   2.620  -3.866
  257    HA   ALA  32           HA       ALA  32  12.706   2.094  -6.004
  258    HB1  ALA  32           HB1      ALA  32  12.532   4.462  -6.502
  259    HB2  ALA  32           HB2      ALA  32  11.847   4.758  -4.904
  260    HB3  ALA  32           HB3      ALA  32  10.957   3.793  -6.079
  261    H    ALA  33           HN       ALA  33  13.277   3.216  -2.774
  262    HA   ALA  33           HA       ALA  33  15.929   4.193  -3.295
  263    HB1  ALA  33           HB1      ALA  33  14.594   3.499  -0.686
  264    HB2  ALA  33           HB2      ALA  33  14.579   5.084  -1.458
  265    HB3  ALA  33           HB3      ALA  33  16.098   4.400  -0.874
  266    H    TYR  34           HN       TYR  34  14.449   1.177  -2.509
  267    HA   TYR  34           HA       TYR  34  16.904  -0.101  -1.683
  268    HB2  TYR  34           HB2      TYR  34  14.762  -0.762  -0.671
  269    HB3  TYR  34           HB1      TYR  34  14.154  -1.239  -2.251
  270    HD1  TYR  34           HD1      TYR  34  17.172  -1.930  -0.153
  271    HD2  TYR  34           HD2      TYR  34  14.102  -3.500  -2.639
  272    HE1  TYR  34           HE1      TYR  34  18.052  -4.198   0.202
  273    HE2  TYR  34           HE2      TYR  34  14.969  -5.772  -2.289
  274    HH   TYR  34           HH       TYR  34  17.368  -6.482   0.082
  275    HN1  NH2  35           HN1      NH2  35  14.913   0.142  -4.534
  276    HN2  NH2  35           HN2      NH2  35  15.950  -0.753  -5.587
  Start of MODEL    7
    1    H1   ACE   0           HA1      ACE   0  15.972  -2.055   3.968
    2    H2   ACE   0           HA2      ACE   0  14.385  -1.795   3.250
    3    H3   ACE   0           HA3      ACE   0  15.520  -2.874   2.443
    4    HA   PRO   1           HA       PRO   1  13.591  -4.441   1.632
    5    HB2  PRO   1           HB2      PRO   1  12.704  -7.035   2.823
    6    HB3  PRO   1           HB1      PRO   1  13.257  -6.689   1.173
    7    HG2  PRO   1           HG2      PRO   1  14.808  -7.979   2.891
    8    HG3  PRO   1           HG1      PRO   1  15.474  -6.810   1.734
    9    HD2  PRO   1           HD2      PRO   1  15.038  -6.511   4.665
   10    HD3  PRO   1           HD1      PRO   1  16.309  -5.819   3.638
   11    HA   PRO   2           HA       PRO   2   9.993  -3.126   4.004
   12    HB2  PRO   2           HB2      PRO   2   8.950  -1.539   2.047
   13    HB3  PRO   2           HB1      PRO   2  10.266  -1.024   3.113
   14    HG2  PRO   2           HG2      PRO   2  10.348  -1.812   0.286
   15    HG3  PRO   2           HG1      PRO   2  11.415  -0.734   1.199
   16    HD2  PRO   2           HD2      PRO   2  11.949  -3.401   0.469
   17    HD3  PRO   2           HD1      PRO   2  12.884  -2.405   1.603
   18    H    LYS   3           HN       LYS   3   7.875  -3.770   4.027
   19    HA   LYS   3           HA       LYS   3   7.212  -5.885   2.140
   20    HB2  LYS   3           HB2      LYS   3   6.965  -6.309   4.546
   21    HB3  LYS   3           HB1      LYS   3   5.832  -4.975   4.670
   22    HG2  LYS   3           HG2      LYS   3   4.229  -6.139   3.311
   23    HG3  LYS   3           HG1      LYS   3   5.379  -7.440   3.010
   24    HD2  LYS   3           HD2      LYS   3   4.588  -6.727   5.810
   25    HD3  LYS   3           HD1      LYS   3   3.546  -7.750   4.823
   26    HE2  LYS   3           HE2      LYS   3   4.999  -9.116   6.203
   27    HE3  LYS   3           HE1      LYS   3   5.408  -9.321   4.504
   28    HZ1  LYS   3           HZ1      LYS   3   7.311  -7.926   4.782
   29    HZ2  LYS   3           HZ2      LYS   3   7.352  -9.111   5.983
   30    HZ3  LYS   3           HZ3      LYS   3   6.874  -7.538   6.370
   31    H    LYS   4           HN       LYS   4   5.733  -5.706   0.574
   32    HA   LYS   4           HA       LYS   4   4.486  -3.165   0.097
   33    HB2  LYS   4           HB2      LYS   4   5.271  -4.524  -1.786
   34    HB3  LYS   4           HB1      LYS   4   4.182  -5.826  -1.320
   35    HG2  LYS   4           HG2      LYS   4   2.259  -4.369  -1.787
   36    HG3  LYS   4           HG1      LYS   4   3.369  -3.093  -2.295
   37    HD2  LYS   4           HD2      LYS   4   4.166  -4.417  -4.119
   38    HD3  LYS   4           HD1      LYS   4   3.282  -5.833  -3.546
   39    HE2  LYS   4           HE2      LYS   4   2.109  -4.829  -5.410
   40    HE3  LYS   4           HE1      LYS   4   1.160  -4.640  -3.938
   41    HZ1  LYS   4           HZ1      LYS   4   1.937  -2.366  -3.769
   42    HZ2  LYS   4           HZ2      LYS   4   1.186  -2.620  -5.258
   43    HZ3  LYS   4           HZ3      LYS   4   2.870  -2.548  -5.167
   44    HA   PRO   5           HA       PRO   5   1.056  -4.041   2.794
   45    HB2  PRO   5           HB2      PRO   5  -0.271  -1.868   1.281
   46    HB3  PRO   5           HB1      PRO   5   0.061  -1.992   3.018
   47    HG2  PRO   5           HG2      PRO   5   1.414  -0.315   1.452
   48    HG3  PRO   5           HG1      PRO   5   2.176  -1.146   2.822
   49    HD2  PRO   5           HD2      PRO   5   2.395  -1.715  -0.092
   50    HD3  PRO   5           HD1      PRO   5   3.626  -1.843   1.183
   51    H    LYS   6           HN       LYS   6  -1.034  -4.899   2.668
   52    HA   LYS   6           HA       LYS   6  -1.552  -6.373   0.271
   53    HB2  LYS   6           HB2      LYS   6  -3.139  -6.087   2.828
   54    HB3  LYS   6           HB1      LYS   6  -3.539  -7.210   1.535
   55    HG2  LYS   6           HG2      LYS   6  -1.380  -8.332   1.867
   56    HG3  LYS   6           HG1      LYS   6  -1.024  -7.220   3.191
   57    HD2  LYS   6           HD2      LYS   6  -2.980  -8.019   4.403
   58    HD3  LYS   6           HD1      LYS   6  -3.370  -9.111   3.072
   59    HE2  LYS   6           HE2      LYS   6  -1.268 -10.297   3.420
   60    HE3  LYS   6           HE1      LYS   6  -0.853  -9.195   4.732
   61    HZ1  LYS   6           HZ1      LYS   6  -1.748 -11.245   5.596
   62    HZ2  LYS   6           HZ2      LYS   6  -3.160 -11.062   4.688
   63    HZ3  LYS   6           HZ3      LYS   6  -2.812  -9.975   5.936
   64    H    LYS   7           HN       LYS   7  -2.647  -5.679  -1.419
   65    HA   LYS   7           HA       LYS   7  -4.087  -3.217  -1.385
   66    HB2  LYS   7           HB2      LYS   7  -2.888  -4.003  -3.410
   67    HB3  LYS   7           HB1      LYS   7  -4.001  -5.361  -3.525
   68    HG2  LYS   7           HG2      LYS   7  -5.871  -3.728  -3.765
   69    HG3  LYS   7           HG1      LYS   7  -4.660  -2.440  -3.842
   70    HD2  LYS   7           HD2      LYS   7  -3.694  -3.418  -5.834
   71    HD3  LYS   7           HD1      LYS   7  -4.799  -4.793  -5.728
   72    HE2  LYS   7           HE2      LYS   7  -5.597  -1.910  -6.144
   73    HE3  LYS   7           HE1      LYS   7  -5.558  -3.155  -7.391
   74    HZ1  LYS   7           HZ1      LYS   7  -7.797  -2.782  -6.507
   75    HZ2  LYS   7           HZ2      LYS   7  -7.274  -3.236  -4.965
   76    HZ3  LYS   7           HZ3      LYS   7  -7.268  -4.364  -6.223
   77    HA   PRO   8           HA       PRO   8  -7.961  -5.175  -0.261
   78    HB2  PRO   8           HB2      PRO   8  -9.270  -2.892   0.341
   79    HB3  PRO   8           HB1      PRO   8  -8.044  -3.576   1.426
   80    HG2  PRO   8           HG2      PRO   8  -7.856  -1.264  -0.408
   81    HG3  PRO   8           HG1      PRO   8  -7.094  -1.532   1.170
   82    HD2  PRO   8           HD2      PRO   8  -5.866  -1.865  -1.309
   83    HD3  PRO   8           HD1      PRO   8  -5.274  -2.490   0.245
   84    H    GLY   9           HN       GLY   9 -10.126  -5.134  -1.125
   85    HA2  GLY   9           HA2      GLY   9 -11.078  -3.355  -3.039
   86    HA3  GLY   9           HA1      GLY   9 -10.269  -4.649  -3.905
   87    H    ASP  10           HN       ASP  10 -10.923  -6.714  -2.058
   88    HA   ASP  10           HA       ASP  10 -13.531  -7.375  -3.017
   89    HB2  ASP  10           HB2      ASP  10 -11.874  -8.793  -0.918
   90    HB3  ASP  10           HB1      ASP  10 -13.264  -9.455  -1.769
   91    H    ASN  11           HN       ASN  11 -15.136  -6.149  -2.237
   92    HA   ASN  11           HA       ASN  11 -16.716  -5.348  -0.798
   93    HB2  ASN  11           HB2      ASN  11 -15.472  -7.415   1.002
   94    HB3  ASN  11           HB1      ASN  11 -16.798  -6.395   1.536
   95   HD21  ASN  11          HD21      ASN  11 -16.456  -7.636  -1.726
   96   HD22  ASN  11          HD22      ASN  11 -17.810  -8.708  -1.654
   97    H    ALA  12           HN       ALA  12 -14.095  -4.069  -1.026
   98    HA   ALA  12           HA       ALA  12 -13.837  -2.860   1.640
   99    HB1  ALA  12           HB1      ALA  12 -11.778  -3.830   0.766
  100    HB2  ALA  12           HB2      ALA  12 -11.640  -2.081   0.934
  101    HB3  ALA  12           HB3      ALA  12 -11.891  -2.795  -0.658
  102    H    THR  13           HN       THR  13 -13.688  -0.599   1.844
  103    HA   THR  13           HA       THR  13 -15.417   0.799   0.008
  104    HB   THR  13           HB       THR  13 -15.204   2.675   1.600
  105    HG1  THR  13           HG1      THR  13 -14.066   1.773   3.675
  106   HG21  THR  13          HG21      THR  13 -16.345   1.624   3.458
  107   HG22  THR  13          HG22      THR  13 -15.752   0.041   2.959
  108   HG23  THR  13          HG23      THR  13 -16.894   0.916   1.940
  109    HA   PRO  14           HA       PRO  14 -12.373   3.009  -2.418
  110    HB2  PRO  14           HB2      PRO  14 -13.938   5.437  -1.635
  111    HB3  PRO  14           HB1      PRO  14 -13.423   4.903  -3.250
  112    HG2  PRO  14           HG2      PRO  14 -15.921   4.609  -2.537
  113    HG3  PRO  14           HG1      PRO  14 -15.081   3.299  -3.397
  114    HD2  PRO  14           HD2      PRO  14 -15.743   3.508  -0.481
  115    HD3  PRO  14           HD1      PRO  14 -15.815   2.096  -1.553
  116    H    GLU  15           HN       GLU  15 -13.341   4.272   0.733
  117    HA   GLU  15           HA       GLU  15 -11.130   5.964   1.168
  118    HB2  GLU  15           HB2      GLU  15 -13.228   6.008   2.513
  119    HB3  GLU  15           HB1      GLU  15 -12.762   4.476   3.237
  120    HG2  GLU  15           HG2      GLU  15 -12.187   6.148   4.786
  121    HG3  GLU  15           HG1      GLU  15 -10.679   5.616   4.052
  122    H    LYS  16           HN       LYS  16 -11.675   2.537   1.723
  123    HA   LYS  16           HA       LYS  16  -9.296   2.027   3.161
  124    HB2  LYS  16           HB2      LYS  16 -11.199   0.502   3.216
  125    HB3  LYS  16           HB1      LYS  16 -11.044   0.206   1.490
  126    HG2  LYS  16           HG2      LYS  16 -10.162  -1.661   2.716
  127    HG3  LYS  16           HG1      LYS  16  -8.841  -0.824   1.898
  128    HD2  LYS  16           HD2      LYS  16  -8.239   0.290   3.978
  129    HD3  LYS  16           HD1      LYS  16  -9.589  -0.493   4.801
  130    HE2  LYS  16           HE2      LYS  16  -8.590  -2.678   4.394
  131    HE3  LYS  16           HE1      LYS  16  -7.261  -1.922   3.518
  132    HZ1  LYS  16           HZ1      LYS  16  -6.585  -0.814   5.533
  133    HZ2  LYS  16           HZ2      LYS  16  -6.667  -2.481   5.805
  134    HZ3  LYS  16           HZ3      LYS  16  -7.892  -1.471   6.383
  135    H    LEU  17           HN       LEU  17 -10.147   1.990  -0.251
  136    HA   LEU  17           HA       LEU  17  -7.649   1.049  -1.192
  137    HB2  LEU  17           HB2      LEU  17  -9.989   2.400  -2.427
  138    HB3  LEU  17           HB1      LEU  17  -8.472   2.444  -3.303
  139    HG   LEU  17           HG       LEU  17  -9.798   0.620  -4.124
  140   HD11  LEU  17          HD11      LEU  17  -8.268  -1.235  -3.787
  141   HD12  LEU  17          HD12      LEU  17  -7.574  -0.432  -2.381
  142   HD13  LEU  17          HD13      LEU  17  -7.380   0.276  -3.984
  143   HD21  LEU  17          HD21      LEU  17 -11.214   0.317  -2.142
  144   HD22  LEU  17          HD22      LEU  17  -9.856  -0.438  -1.303
  145   HD23  LEU  17          HD23      LEU  17 -10.549  -1.205  -2.731
  146    H    ALA  18           HN       ALA  18  -8.952   4.303  -0.688
  147    HA   ALA  18           HA       ALA  18  -6.784   5.745  -1.703
  148    HB1  ALA  18           HB1      ALA  18  -7.632   7.616  -0.429
  149    HB2  ALA  18           HB2      ALA  18  -8.598   6.529   0.568
  150    HB3  ALA  18           HB3      ALA  18  -8.975   6.723  -1.144
  151    H    ALA  19           HN       ALA  19  -7.397   4.365   1.469
  152    HA   ALA  19           HA       ALA  19  -5.141   5.351   2.804
  153    HB1  ALA  19           HB1      ALA  19  -6.532   2.711   3.211
  154    HB2  ALA  19           HB2      ALA  19  -7.015   4.243   3.935
  155    HB3  ALA  19           HB3      ALA  19  -5.466   3.516   4.362
  156    H    TYR  20           HN       TYR  20  -5.636   2.405   0.898
  157    HA   TYR  20           HA       TYR  20  -3.044   1.372   1.218
  158    HB2  TYR  20           HB2      TYR  20  -4.850  -0.029   0.373
  159    HB3  TYR  20           HB1      TYR  20  -4.973   0.973  -1.071
  160    HD1  TYR  20           HD1      TYR  20  -2.711  -1.292   0.776
  161    HD2  TYR  20           HD2      TYR  20  -3.577   0.578  -2.941
  162    HE1  TYR  20           HE1      TYR  20  -1.002  -2.679  -0.316
  163    HE2  TYR  20           HE2      TYR  20  -1.866  -0.811  -4.044
  164    HH   TYR  20           HH       TYR  20  -0.429  -3.508  -2.486
  165    H    GLU  21           HN       GLU  21  -4.437   3.520  -1.214
  166    HA   GLU  21           HA       GLU  21  -2.242   3.660  -2.934
  167    HB2  GLU  21           HB2      GLU  21  -4.331   5.732  -2.262
  168    HB3  GLU  21           HB1      GLU  21  -3.162   5.918  -3.559
  169    HG2  GLU  21           HG2      GLU  21  -5.145   3.657  -3.381
  170    HG3  GLU  21           HG1      GLU  21  -5.402   5.140  -4.294
  171    H    LYS  22           HN       LYS  22  -2.879   5.254   0.111
  172    HA   LYS  22           HA       LYS  22  -0.627   7.010  -0.042
  173    HB2  LYS  22           HB2      LYS  22  -2.556   7.564   1.354
  174    HB3  LYS  22           HB1      LYS  22  -2.280   6.132   2.334
  175    HG2  LYS  22           HG2      LYS  22  -1.498   8.166   3.439
  176    HG3  LYS  22           HG1      LYS  22  -0.178   7.042   3.122
  177    HD2  LYS  22           HD2      LYS  22   0.538   9.286   2.602
  178    HD3  LYS  22           HD1      LYS  22   0.414   8.353   1.113
  179    HE2  LYS  22           HE2      LYS  22  -0.503  10.547   0.745
  180    HE3  LYS  22           HE1      LYS  22  -1.809   9.367   0.715
  181    HZ1  LYS  22           HZ1      LYS  22  -1.105  11.068   3.045
  182    HZ2  LYS  22           HZ2      LYS  22  -2.404   9.987   2.955
  183    HZ3  LYS  22           HZ3      LYS  22  -2.380  11.364   1.974
  184    H    GLU  23           HN       GLU  23  -1.305   3.873   1.455
  185    HA   GLU  23           HA       GLU  23   1.199   3.516   2.702
  186    HB2  GLU  23           HB2      GLU  23  -0.659   1.398   1.588
  187    HB3  GLU  23           HB1      GLU  23   0.645   1.115   2.732
  188    HG2  GLU  23           HG2      GLU  23  -0.512   2.496   4.385
  189    HG3  GLU  23           HG1      GLU  23  -1.827   2.762   3.233
  190    H    LEU  24           HN       LEU  24   0.004   2.858  -0.513
  191    HA   LEU  24           HA       LEU  24   2.232   1.452  -1.512
  192    HB2  LEU  24           HB2      LEU  24  -0.003   1.559  -2.607
  193    HB3  LEU  24           HB1      LEU  24   0.309   3.233  -3.018
  194    HG   LEU  24           HG       LEU  24   2.204   2.553  -4.422
  195   HD11  LEU  24          HD11      LEU  24   2.843   0.529  -3.225
  196   HD12  LEU  24          HD12      LEU  24   2.573   0.201  -4.937
  197   HD13  LEU  24          HD13      LEU  24   1.355  -0.259  -3.749
  198   HD21  LEU  24          HD21      LEU  24  -0.341   1.076  -5.068
  199   HD22  LEU  24          HD22      LEU  24   0.911   1.558  -6.214
  200   HD23  LEU  24          HD23      LEU  24  -0.040   2.785  -5.377
  201    H    ALA  25           HN       ALA  25   1.382   4.888  -1.526
  202    HA   ALA  25           HA       ALA  25   3.599   5.812  -2.961
  203    HB1  ALA  25           HB1      ALA  25   1.603   7.160  -2.482
  204    HB2  ALA  25           HB2      ALA  25   3.090   7.990  -2.020
  205    HB3  ALA  25           HB3      ALA  25   2.079   7.238  -0.786
  206    H    ALA  26           HN       ALA  26   3.106   5.317   0.506
  207    HA   ALA  26           HA       ALA  26   5.636   6.247   1.340
  208    HB1  ALA  26           HB1      ALA  26   3.732   5.978   2.861
  209    HB2  ALA  26           HB2      ALA  26   5.158   5.118   3.439
  210    HB3  ALA  26           HB3      ALA  26   3.841   4.228   2.675
  211    H    TYR  27           HN       TYR  27   4.433   3.078   0.388
  212    HA   TYR  27           HA       TYR  27   6.764   1.619   1.000
  213    HB2  TYR  27           HB2      TYR  27   4.714   0.417   0.680
  214    HB3  TYR  27           HB1      TYR  27   4.519   1.071  -0.947
  215    HD1  TYR  27           HD1      TYR  27   5.468  -0.016  -2.798
  216    HD2  TYR  27           HD2      TYR  27   6.635  -1.151   1.126
  217    HE1  TYR  27           HE1      TYR  27   6.697  -1.936  -3.726
  218    HE2  TYR  27           HE2      TYR  27   7.867  -3.076   0.213
  219    HH   TYR  27           HH       TYR  27   7.946  -4.455  -1.734
  220    H    GLU  28           HN       GLU  28   5.619   3.070  -2.038
  221    HA   GLU  28           HA       GLU  28   7.749   2.208  -3.640
  222    HB2  GLU  28           HB2      GLU  28   6.014   4.673  -3.888
  223    HB3  GLU  28           HB1      GLU  28   7.116   4.110  -5.136
  224    HG2  GLU  28           HG2      GLU  28   4.771   2.546  -4.059
  225    HG3  GLU  28           HG1      GLU  28   4.789   3.467  -5.564
  226    H    LYS  29           HN       LYS  29   7.436   4.898  -1.445
  227    HA   LYS  29           HA       LYS  29   9.732   6.353  -2.191
  228    HB2  LYS  29           HB2      LYS  29   7.930   7.195  -0.688
  229    HB3  LYS  29           HB1      LYS  29   8.478   6.078   0.552
  230    HG2  LYS  29           HG2      LYS  29   9.311   8.283   1.033
  231    HG3  LYS  29           HG1      LYS  29  10.656   7.228   0.596
  232    HD2  LYS  29           HD2      LYS  29  10.703   8.173  -1.647
  233    HD3  LYS  29           HD1      LYS  29   9.302   9.179  -1.274
  234    HE2  LYS  29           HE2      LYS  29  11.363  10.471  -1.123
  235    HE3  LYS  29           HE1      LYS  29  10.586  10.336   0.452
  236    HZ1  LYS  29           HZ1      LYS  29  12.142   8.561   1.010
  237    HZ2  LYS  29           HZ2      LYS  29  12.955   9.991   0.635
  238    HZ3  LYS  29           HZ3      LYS  29  12.901   8.732  -0.491
  239    H    GLU  30           HN       GLU  30   9.204   3.816   0.230
  240    HA   GLU  30           HA       GLU  30  11.924   3.613   1.022
  241    HB2  GLU  30           HB2      GLU  30   9.674   1.605   1.252
  242    HB3  GLU  30           HB1      GLU  30  11.225   1.484   2.066
  243    HG2  GLU  30           HG2      GLU  30  10.769   3.461   3.350
  244    HG3  GLU  30           HG1      GLU  30   9.276   3.736   2.452
  245    H    LEU  31           HN       LEU  31   9.975   2.072  -1.429
  246    HA   LEU  31           HA       LEU  31  11.743   0.003  -2.145
  247    HB2  LEU  31           HB2      LEU  31   9.329   0.190  -2.801
  248    HB3  LEU  31           HB1      LEU  31   9.790   1.435  -3.948
  249    HG   LEU  31           HG       LEU  31  11.222  -0.214  -5.118
  250   HD11  LEU  31          HD11      LEU  31  11.669  -1.707  -3.258
  251   HD12  LEU  31          HD12      LEU  31  10.940  -2.588  -4.601
  252   HD13  LEU  31          HD13      LEU  31   9.965  -2.161  -3.195
  253   HD21  LEU  31          HD21      LEU  31   8.328  -0.972  -4.778
  254   HD22  LEU  31          HD22      LEU  31   9.366  -1.474  -6.111
  255   HD23  LEU  31          HD23      LEU  31   8.970   0.230  -5.896
  256    H    ALA  32           HN       ALA  32  11.416   3.325  -3.281
  257    HA   ALA  32           HA       ALA  32  13.247   3.228  -5.385
  258    HB1  ALA  32           HB1      ALA  32  13.338   5.650  -5.191
  259    HB2  ALA  32           HB2      ALA  32  12.592   5.558  -3.596
  260    HB3  ALA  32           HB3      ALA  32  11.682   5.067  -5.024
  261    H    ALA  33           HN       ALA  33  13.716   3.628  -1.938
  262    HA   ALA  33           HA       ALA  33  16.547   4.191  -2.244
  263    HB1  ALA  33           HB1      ALA  33  15.333   5.382  -0.535
  264    HB2  ALA  33           HB2      ALA  33  16.526   4.322   0.219
  265    HB3  ALA  33           HB3      ALA  33  14.822   3.863   0.198
  266    H    TYR  34           HN       TYR  34  14.819   1.486  -2.541
  267    HA   TYR  34           HA       TYR  34  16.795  -0.207  -1.173
  268    HB2  TYR  34           HB2      TYR  34  14.484  -0.589  -0.441
  269    HB3  TYR  34           HB1      TYR  34  13.988  -0.852  -2.107
  270    HD1  TYR  34           HD1      TYR  34  13.744  -3.021  -2.803
  271    HD2  TYR  34           HD2      TYR  34  16.501  -2.179   0.320
  272    HE1  TYR  34           HE1      TYR  34  14.216  -5.420  -2.584
  273    HE2  TYR  34           HE2      TYR  34  16.987  -4.582   0.546
  274    HH   TYR  34           HH       TYR  34  15.939  -6.887  -1.762
  275    HN1  NH2  35           HN1      NH2  35  18.001  -1.594  -2.343
  276    HN2  NH2  35           HN2      NH2  35  17.915  -1.774  -4.059
  Start of MODEL    8
    1    H1   ACE   0           HA1      ACE   0  12.994  -3.283   4.064
    2    H2   ACE   0           HA2      ACE   0  14.490  -2.875   4.904
    3    H3   ACE   0           HA3      ACE   0  13.648  -4.360   5.336
    4    HA   PRO   1           HA       PRO   1  13.321  -4.889   1.054
    5    HB2  PRO   1           HB2      PRO   1  11.853  -7.252   2.081
    6    HB3  PRO   1           HB1      PRO   1  12.620  -7.012   0.501
    7    HG2  PRO   1           HG2      PRO   1  13.665  -8.664   2.293
    8    HG3  PRO   1           HG1      PRO   1  14.689  -7.657   1.246
    9    HD2  PRO   1           HD2      PRO   1  13.962  -7.241   4.124
   10    HD3  PRO   1           HD1      PRO   1  15.527  -7.006   3.319
   11    HA   PRO   2           HA       PRO   2  10.232  -2.622   3.396
   12    HB2  PRO   2           HB2      PRO   2   9.230  -1.831   0.760
   13    HB3  PRO   2           HB1      PRO   2   9.895  -0.823   2.054
   14    HG2  PRO   2           HG2      PRO   2  11.175  -1.318  -0.280
   15    HG3  PRO   2           HG1      PRO   2  11.988  -0.911   1.239
   16    HD2  PRO   2           HD2      PRO   2  11.784  -3.524  -0.140
   17    HD3  PRO   2           HD1      PRO   2  13.044  -2.907   0.949
   18    H    LYS   3           HN       LYS   3   8.079  -2.910   3.836
   19    HA   LYS   3           HA       LYS   3   6.905  -5.302   2.635
   20    HB2  LYS   3           HB2      LYS   3   6.060  -3.726   5.076
   21    HB3  LYS   3           HB1      LYS   3   5.356  -5.247   4.546
   22    HG2  LYS   3           HG2      LYS   3   8.203  -4.846   5.440
   23    HG3  LYS   3           HG1      LYS   3   6.906  -5.566   6.396
   24    HD2  LYS   3           HD2      LYS   3   6.690  -7.361   4.747
   25    HD3  LYS   3           HD1      LYS   3   7.983  -6.637   3.788
   26    HE2  LYS   3           HE2      LYS   3   8.262  -7.631   6.618
   27    HE3  LYS   3           HE1      LYS   3   8.764  -8.517   5.181
   28    HZ1  LYS   3           HZ1      LYS   3  10.298  -6.693   4.670
   29    HZ2  LYS   3           HZ2      LYS   3  10.635  -7.398   6.171
   30    HZ3  LYS   3           HZ3      LYS   3   9.844  -5.907   6.099
   31    H    LYS   4           HN       LYS   4   5.435  -5.111   1.089
   32    HA   LYS   4           HA       LYS   4   4.214  -2.546   0.559
   33    HB2  LYS   4           HB2      LYS   4   4.957  -3.924  -1.338
   34    HB3  LYS   4           HB1      LYS   4   3.875  -5.220  -0.830
   35    HG2  LYS   4           HG2      LYS   4   1.950  -3.722  -1.212
   36    HG3  LYS   4           HG1      LYS   4   3.060  -2.491  -1.813
   37    HD2  LYS   4           HD2      LYS   4   3.727  -3.909  -3.639
   38    HD3  LYS   4           HD1      LYS   4   2.784  -5.252  -2.989
   39    HE2  LYS   4           HE2      LYS   4   0.726  -3.995  -3.323
   40    HE3  LYS   4           HE1      LYS   4   1.644  -2.613  -3.916
   41    HZ1  LYS   4           HZ1      LYS   4   0.666  -3.970  -5.694
   42    HZ2  LYS   4           HZ2      LYS   4   1.608  -5.286  -5.204
   43    HZ3  LYS   4           HZ3      LYS   4   2.354  -3.889  -5.799
   44    HA   PRO   5           HA       PRO   5   0.628  -3.408   3.083
   45    HB2  PRO   5           HB2      PRO   5  -1.046  -1.623   1.791
   46    HB3  PRO   5           HB1      PRO   5   0.066  -1.190   3.102
   47    HG2  PRO   5           HG2      PRO   5   0.407  -0.883   0.164
   48    HG3  PRO   5           HG1      PRO   5   0.874   0.213   1.480
   49    HD2  PRO   5           HD2      PRO   5   2.690  -1.322   0.255
   50    HD3  PRO   5           HD1      PRO   5   2.773  -0.997   2.001
   51    H    LYS   6           HN       LYS   6  -1.172  -4.651   2.884
   52    HA   LYS   6           HA       LYS   6  -1.491  -6.091   0.417
   53    HB2  LYS   6           HB2      LYS   6  -2.967  -6.243   3.053
   54    HB3  LYS   6           HB1      LYS   6  -3.206  -7.360   1.715
   55    HG2  LYS   6           HG2      LYS   6  -0.905  -8.101   1.891
   56    HG3  LYS   6           HG1      LYS   6  -0.606  -6.930   3.174
   57    HD2  LYS   6           HD2      LYS   6  -2.183  -8.050   4.619
   58    HD3  LYS   6           HD1      LYS   6  -2.618  -9.172   3.328
   59    HE2  LYS   6           HE2      LYS   6  -1.081 -10.223   4.896
   60    HE3  LYS   6           HE1      LYS   6  -0.325 -10.036   3.315
   61    HZ1  LYS   6           HZ1      LYS   6   1.193  -9.434   5.082
   62    HZ2  LYS   6           HZ2      LYS   6   0.112  -8.272   5.664
   63    HZ3  LYS   6           HZ3      LYS   6   0.828  -8.076   4.146
   64    H    LYS   7           HN       LYS   7  -2.678  -5.363  -1.198
   65    HA   LYS   7           HA       LYS   7  -4.286  -3.053  -0.990
   66    HB2  LYS   7           HB2      LYS   7  -3.111  -3.656  -3.065
   67    HB3  LYS   7           HB1      LYS   7  -4.128  -5.082  -3.230
   68    HG2  LYS   7           HG2      LYS   7  -6.107  -3.590  -3.378
   69    HG3  LYS   7           HG1      LYS   7  -5.003  -2.204  -3.385
   70    HD2  LYS   7           HD2      LYS   7  -3.959  -3.025  -5.424
   71    HD3  LYS   7           HD1      LYS   7  -4.983  -4.460  -5.398
   72    HE2  LYS   7           HE2      LYS   7  -6.969  -2.933  -5.546
   73    HE3  LYS   7           HE1      LYS   7  -5.847  -1.598  -5.806
   74    HZ1  LYS   7           HZ1      LYS   7  -6.118  -3.996  -7.529
   75    HZ2  LYS   7           HZ2      LYS   7  -5.019  -2.736  -7.776
   76    HZ3  LYS   7           HZ3      LYS   7  -6.681  -2.445  -7.891
   77    HA   PRO   8           HA       PRO   8  -8.121  -5.116   0.184
   78    HB2  PRO   8           HB2      PRO   8  -9.196  -2.394   0.171
   79    HB3  PRO   8           HB1      PRO   8  -9.039  -3.519   1.529
   80    HG2  PRO   8           HG2      PRO   8  -7.569  -1.279   1.322
   81    HG3  PRO   8           HG1      PRO   8  -6.987  -2.757   2.113
   82    HD2  PRO   8           HD2      PRO   8  -6.355  -1.704  -0.611
   83    HD3  PRO   8           HD1      PRO   8  -5.295  -2.497   0.580
   84    H    GLY   9           HN       GLY   9  -8.971  -6.072  -1.589
   85    HA2  GLY   9           HA2      GLY   9  -9.993  -4.299  -3.715
   86    HA3  GLY   9           HA1      GLY   9  -9.296  -5.876  -4.049
   87    H    ASP  10           HN       ASP  10 -10.414  -7.441  -2.170
   88    HA   ASP  10           HA       ASP  10 -13.138  -7.657  -3.116
   89    HB2  ASP  10           HB2      ASP  10 -11.584  -9.411  -1.196
   90    HB3  ASP  10           HB1      ASP  10 -13.159  -9.784  -1.882
   91    H    ASN  11           HN       ASN  11 -14.784  -6.727  -2.114
   92    HA   ASN  11           HA       ASN  11 -16.053  -5.665  -0.545
   93    HB2  ASN  11           HB2      ASN  11 -16.062  -7.882   0.532
   94    HB3  ASN  11           HB1      ASN  11 -14.576  -7.478   1.382
   95   HD21  ASN  11          HD21      ASN  11 -18.003  -6.782   1.125
   96   HD22  ASN  11          HD22      ASN  11 -18.159  -6.044   2.682
   97    H    ALA  12           HN       ALA  12 -14.767  -3.782  -1.156
   98    HA   ALA  12           HA       ALA  12 -13.797  -2.422   1.163
   99    HB1  ALA  12           HB1      ALA  12 -11.560  -1.919   0.331
  100    HB2  ALA  12           HB2      ALA  12 -11.832  -2.980  -1.053
  101    HB3  ALA  12           HB3      ALA  12 -11.773  -3.653   0.575
  102    H    THR  13           HN       THR  13 -14.122  -0.302   0.976
  103    HA   THR  13           HA       THR  13 -15.346   0.702  -1.434
  104    HB   THR  13           HB       THR  13 -15.626   2.783  -0.085
  105    HG1  THR  13           HG1      THR  13 -15.007   2.739   2.091
  106   HG21  THR  13          HG21      THR  13 -17.343   1.039  -0.093
  107   HG22  THR  13          HG22      THR  13 -17.259   1.860   1.465
  108   HG23  THR  13          HG23      THR  13 -16.551   0.256   1.274
  109    HA   PRO  14           HA       PRO  14 -11.868   2.902  -3.216
  110    HB2  PRO  14           HB2      PRO  14 -13.657   5.296  -3.148
  111    HB3  PRO  14           HB1      PRO  14 -12.725   4.624  -4.501
  112    HG2  PRO  14           HG2      PRO  14 -15.320   4.269  -4.419
  113    HG3  PRO  14           HG1      PRO  14 -14.245   2.935  -4.895
  114    HD2  PRO  14           HD2      PRO  14 -15.655   3.367  -2.294
  115    HD3  PRO  14           HD1      PRO  14 -15.384   1.862  -3.189
  116    H    GLU  15           HN       GLU  15 -13.668   4.309  -0.554
  117    HA   GLU  15           HA       GLU  15 -11.748   6.178   0.305
  118    HB2  GLU  15           HB2      GLU  15 -14.082   6.220   1.078
  119    HB3  GLU  15           HB1      GLU  15 -13.836   4.694   1.913
  120    HG2  GLU  15           HG2      GLU  15 -12.205   5.752   3.380
  121    HG3  GLU  15           HG1      GLU  15 -12.441   7.280   2.540
  122    H    LYS  16           HN       LYS  16 -12.150   2.736   0.897
  123    HA   LYS  16           HA       LYS  16 -10.189   2.599   2.968
  124    HB2  LYS  16           HB2      LYS  16 -12.008   0.944   2.740
  125    HB3  LYS  16           HB1      LYS  16 -11.320   0.407   1.211
  126    HG2  LYS  16           HG2      LYS  16 -10.723  -1.143   2.950
  127    HG3  LYS  16           HG1      LYS  16  -9.277  -0.284   2.418
  128    HD2  LYS  16           HD2      LYS  16  -9.400   1.180   4.349
  129    HD3  LYS  16           HD1      LYS  16 -10.904   0.416   4.863
  130    HE2  LYS  16           HE2      LYS  16  -8.249  -0.990   4.603
  131    HE3  LYS  16           HE1      LYS  16  -8.930  -0.389   6.114
  132    HZ1  LYS  16           HZ1      LYS  16 -10.779  -1.889   5.868
  133    HZ2  LYS  16           HZ2      LYS  16  -9.334  -2.764   5.780
  134    HZ3  LYS  16           HZ3      LYS  16 -10.204  -2.427   4.372
  135    H    LEU  17           HN       LEU  17 -10.208   2.339  -0.499
  136    HA   LEU  17           HA       LEU  17  -7.606   1.299  -0.835
  137    HB2  LEU  17           HB2      LEU  17  -9.544   2.734  -2.575
  138    HB3  LEU  17           HB1      LEU  17  -7.872   2.668  -3.098
  139    HG   LEU  17           HG       LEU  17  -9.140   0.901  -4.153
  140   HD11  LEU  17          HD11      LEU  17  -7.302  -0.184  -2.027
  141   HD12  LEU  17          HD12      LEU  17  -6.830   0.410  -3.620
  142   HD13  LEU  17          HD13      LEU  17  -7.818  -1.042  -3.479
  143   HD21  LEU  17          HD21      LEU  17  -9.777  -0.089  -1.379
  144   HD22  LEU  17          HD22      LEU  17 -10.204  -0.878  -2.895
  145   HD23  LEU  17          HD23      LEU  17 -10.915   0.680  -2.483
  146    H    ALA  18           HN       ALA  18  -8.788   4.464  -0.090
  147    HA   ALA  18           HA       ALA  18  -6.604   6.018  -0.882
  148    HB1  ALA  18           HB1      ALA  18  -8.415   6.431   1.487
  149    HB2  ALA  18           HB2      ALA  18  -8.742   6.961  -0.163
  150    HB3  ALA  18           HB3      ALA  18  -7.392   7.654   0.734
  151    H    ALA  19           HN       ALA  19  -7.250   4.260   2.109
  152    HA   ALA  19           HA       ALA  19  -4.940   4.949   3.514
  153    HB1  ALA  19           HB1      ALA  19  -6.888   3.802   4.491
  154    HB2  ALA  19           HB2      ALA  19  -5.366   2.995   4.864
  155    HB3  ALA  19           HB3      ALA  19  -6.432   2.336   3.622
  156    H    TYR  20           HN       TYR  20  -5.591   2.303   1.262
  157    HA   TYR  20           HA       TYR  20  -3.094   1.046   1.440
  158    HB2  TYR  20           HB2      TYR  20  -4.861  -0.151   0.374
  159    HB3  TYR  20           HB1      TYR  20  -5.136   1.151  -0.777
  160    HD1  TYR  20           HD1      TYR  20  -2.470  -1.230   0.275
  161    HD2  TYR  20           HD2      TYR  20  -4.227   0.979  -2.895
  162    HE1  TYR  20           HE1      TYR  20  -0.949  -2.328  -1.323
  163    HE2  TYR  20           HE2      TYR  20  -2.719  -0.108  -4.506
  164    HH   TYR  20           HH       TYR  20  -0.599  -1.258  -4.562
  165    H    GLU  21           HN       GLU  21  -4.289   3.519  -0.808
  166    HA   GLU  21           HA       GLU  21  -1.923   3.733  -2.305
  167    HB2  GLU  21           HB2      GLU  21  -4.136   5.725  -1.811
  168    HB3  GLU  21           HB1      GLU  21  -2.818   6.013  -2.934
  169    HG2  GLU  21           HG2      GLU  21  -3.510   3.974  -4.183
  170    HG3  GLU  21           HG1      GLU  21  -4.900   3.842  -3.102
  171    H    LYS  22           HN       LYS  22  -2.907   5.190   0.718
  172    HA   LYS  22           HA       LYS  22  -0.884   7.164   0.844
  173    HB2  LYS  22           HB2      LYS  22  -2.942   7.168   2.234
  174    HB3  LYS  22           HB1      LYS  22  -2.319   5.786   3.121
  175    HG2  LYS  22           HG2      LYS  22  -1.988   7.814   4.384
  176    HG3  LYS  22           HG1      LYS  22  -0.432   7.146   3.893
  177    HD2  LYS  22           HD2      LYS  22  -0.224   8.765   2.131
  178    HD3  LYS  22           HD1      LYS  22  -1.862   9.352   2.412
  179    HE2  LYS  22           HE2      LYS  22  -0.166  10.856   3.352
  180    HE3  LYS  22           HE1      LYS  22  -1.216  10.187   4.598
  181    HZ1  LYS  22           HZ1      LYS  22   1.097  10.165   5.282
  182    HZ2  LYS  22           HZ2      LYS  22   1.516   9.228   3.941
  183    HZ3  LYS  22           HZ3      LYS  22   0.514   8.586   5.138
  184    H    GLU  23           HN       GLU  23  -1.125   3.867   2.123
  185    HA   GLU  23           HA       GLU  23   1.522   3.875   3.201
  186    HB2  GLU  23           HB2      GLU  23  -0.373   1.601   2.570
  187    HB3  GLU  23           HB1      GLU  23   1.168   1.400   3.400
  188    HG2  GLU  23           HG2      GLU  23   0.332   2.952   5.166
  189    HG3  GLU  23           HG1      GLU  23  -1.243   2.926   4.362
  190    H    LEU  24           HN       LEU  24   0.073   3.027   0.161
  191    HA   LEU  24           HA       LEU  24   2.201   1.565  -0.963
  192    HB2  LEU  24           HB2      LEU  24  -0.136   1.688  -1.855
  193    HB3  LEU  24           HB1      LEU  24   0.212   3.313  -2.415
  194    HG   LEU  24           HG       LEU  24   1.988   2.414  -3.881
  195   HD11  LEU  24          HD11      LEU  24   2.154   0.027  -4.266
  196   HD12  LEU  24          HD12      LEU  24   0.942  -0.278  -3.021
  197   HD13  LEU  24          HD13      LEU  24   2.506   0.405  -2.580
  198   HD21  LEU  24          HD21      LEU  24   0.488   1.412  -5.520
  199   HD22  LEU  24          HD22      LEU  24  -0.266   2.800  -4.733
  200   HD23  LEU  24          HD23      LEU  24  -0.727   1.162  -4.267
  201    H    ALA  25           HN       ALA  25   1.411   5.011  -1.006
  202    HA   ALA  25           HA       ALA  25   3.486   5.874  -2.664
  203    HB1  ALA  25           HB1      ALA  25   1.603   7.283  -2.007
  204    HB2  ALA  25           HB2      ALA  25   3.142   8.067  -1.653
  205    HB3  ALA  25           HB3      ALA  25   2.208   7.323  -0.352
  206    H    ALA  26           HN       ALA  26   3.345   5.410   0.829
  207    HA   ALA  26           HA       ALA  26   5.966   6.296   1.396
  208    HB1  ALA  26           HB1      ALA  26   4.252   6.132   3.116
  209    HB2  ALA  26           HB2      ALA  26   5.662   5.168   3.548
  210    HB3  ALA  26           HB3      ALA  26   4.213   4.381   2.927
  211    H    TYR  27           HN       TYR  27   4.569   3.131   0.722
  212    HA   TYR  27           HA       TYR  27   6.891   1.610   1.096
  213    HB2  TYR  27           HB2      TYR  27   4.868   0.404   0.993
  214    HB3  TYR  27           HB1      TYR  27   4.398   1.163  -0.530
  215    HD1  TYR  27           HD1      TYR  27   6.868  -1.164   0.965
  216    HD2  TYR  27           HD2      TYR  27   4.916   0.159  -2.563
  217    HE1  TYR  27           HE1      TYR  27   7.874  -3.035  -0.283
  218    HE2  TYR  27           HE2      TYR  27   5.902  -1.707  -3.824
  219    HH   TYR  27           HH       TYR  27   7.551  -4.307  -2.248
  220    H    GLU  28           HN       GLU  28   5.534   3.090  -1.840
  221    HA   GLU  28           HA       GLU  28   7.496   2.115  -3.594
  222    HB2  GLU  28           HB2      GLU  28   5.769   4.587  -3.768
  223    HB3  GLU  28           HB1      GLU  28   6.821   4.049  -5.067
  224    HG2  GLU  28           HG2      GLU  28   5.578   1.884  -5.085
  225    HG3  GLU  28           HG1      GLU  28   4.440   2.589  -3.932
  226    H    LYS  29           HN       LYS  29   7.470   4.847  -1.430
  227    HA   LYS  29           HA       LYS  29   9.770   6.149  -2.435
  228    HB2  LYS  29           HB2      LYS  29   8.115   7.140  -0.828
  229    HB3  LYS  29           HB1      LYS  29   8.781   6.100   0.423
  230    HG2  LYS  29           HG2      LYS  29   9.697   8.344   0.590
  231    HG3  LYS  29           HG1      LYS  29  10.957   7.181   0.178
  232    HD2  LYS  29           HD2      LYS  29  10.891   7.865  -2.142
  233    HD3  LYS  29           HD1      LYS  29   9.524   8.935  -1.823
  234    HE2  LYS  29           HE2      LYS  29  11.640  10.163  -1.974
  235    HE3  LYS  29           HE1      LYS  29  10.900  10.311  -0.381
  236    HZ1  LYS  29           HZ1      LYS  29  12.430   8.667   0.462
  237    HZ2  LYS  29           HZ2      LYS  29  13.294   9.923  -0.266
  238    HZ3  LYS  29           HZ3      LYS  29  13.108   8.450  -1.071
  239    H    GLU  30           HN       GLU  30   9.307   3.803   0.197
  240    HA   GLU  30           HA       GLU  30  12.038   3.466   0.809
  241    HB2  GLU  30           HB2      GLU  30   9.723   1.549   1.173
  242    HB3  GLU  30           HB1      GLU  30  11.310   1.350   1.892
  243    HG2  GLU  30           HG2      GLU  30  11.025   3.306   3.237
  244    HG3  GLU  30           HG1      GLU  30   9.524   3.712   2.404
  245    H    LEU  31           HN       LEU  31   9.904   1.943  -1.506
  246    HA   LEU  31           HA       LEU  31  11.597  -0.159  -2.322
  247    HB2  LEU  31           HB2      LEU  31   9.144   0.040  -2.824
  248    HB3  LEU  31           HB1      LEU  31   9.539   1.278  -4.004
  249    HG   LEU  31           HG       LEU  31  10.892  -0.394  -5.247
  250   HD11  LEU  31          HD11      LEU  31  11.412  -1.889  -3.407
  251   HD12  LEU  31          HD12      LEU  31  10.594  -2.766  -4.702
  252   HD13  LEU  31          HD13      LEU  31   9.707  -2.311  -3.245
  253   HD21  LEU  31          HD21      LEU  31   8.593   0.097  -5.884
  254   HD22  LEU  31          HD22      LEU  31   8.009  -1.129  -4.760
  255   HD23  LEU  31          HD23      LEU  31   8.973  -1.604  -6.159
  256    H    ALA  32           HN       ALA  32  11.236   3.163  -3.443
  257    HA   ALA  32           HA       ALA  32  12.976   3.015  -5.642
  258    HB1  ALA  32           HB1      ALA  32  12.352   5.387  -3.897
  259    HB2  ALA  32           HB2      ALA  32  11.405   4.851  -5.283
  260    HB3  ALA  32           HB3      ALA  32  13.049   5.441  -5.516
  261    H    ALA  33           HN       ALA  33  13.532   3.566  -2.225
  262    HA   ALA  33           HA       ALA  33  16.316   4.174  -2.520
  263    HB1  ALA  33           HB1      ALA  33  14.747   3.377  -0.078
  264    HB2  ALA  33           HB2      ALA  33  15.004   5.025  -0.646
  265    HB3  ALA  33           HB3      ALA  33  16.371   4.062  -0.086
  266    H    TYR  34           HN       TYR  34  14.418   1.309  -2.238
  267    HA   TYR  34           HA       TYR  34  16.609  -0.370  -1.379
  268    HB2  TYR  34           HB2      TYR  34  14.215  -0.761  -0.704
  269    HB3  TYR  34           HB1      TYR  34  13.870  -1.184  -2.377
  270    HD1  TYR  34           HD1      TYR  34  16.009  -2.148   0.505
  271    HD2  TYR  34           HD2      TYR  34  14.128  -3.383  -3.100
  272    HE1  TYR  34           HE1      TYR  34  16.642  -4.479   0.981
  273    HE2  TYR  34           HE2      TYR  34  14.758  -5.715  -2.639
  274    HH   TYR  34           HH       TYR  34  16.064  -6.698   0.414
  275    HN1  NH2  35           HN1      NH2  35  18.124  -0.200  -3.004
  276    HN2  NH2  35           HN2      NH2  35  17.897  -0.861  -4.582
  Start of MODEL    9
    1    H1   ACE   0           HA1      ACE   0  15.794  -3.353   2.512
    2    H2   ACE   0           HA2      ACE   0  15.957  -2.139   3.775
    3    H3   ACE   0           HA3      ACE   0  14.537  -2.101   2.732
    4    HA   PRO   1           HA       PRO   1  13.413  -4.606   1.748
    5    HB2  PRO   1           HB2      PRO   1  12.110  -6.852   3.214
    6    HB3  PRO   1           HB1      PRO   1  12.781  -6.829   1.575
    7    HG2  PRO   1           HG2      PRO   1  14.038  -8.074   3.545
    8    HG3  PRO   1           HG1      PRO   1  14.927  -7.185   2.291
    9    HD2  PRO   1           HD2      PRO   1  14.383  -6.407   5.120
   10    HD3  PRO   1           HD1      PRO   1  15.813  -6.088   4.117
   11    HA   PRO   2           HA       PRO   2   9.996  -2.384   3.643
   12    HB2  PRO   2           HB2      PRO   2   9.011  -1.347   1.329
   13    HB3  PRO   2           HB1      PRO   2  10.438  -0.684   2.147
   14    HG2  PRO   2           HG2      PRO   2  10.273  -2.421  -0.248
   15    HG3  PRO   2           HG1      PRO   2  11.402  -1.105   0.124
   16    HD2  PRO   2           HD2      PRO   2  11.996  -3.784   0.367
   17    HD3  PRO   2           HD1      PRO   2  12.835  -2.486   1.240
   18    H    LYS   3           HN       LYS   3   7.931  -2.966   4.035
   19    HA   LYS   3           HA       LYS   3   7.018  -5.415   2.782
   20    HB2  LYS   3           HB2      LYS   3   6.936  -5.166   5.235
   21    HB3  LYS   3           HB1      LYS   3   5.831  -3.814   5.056
   22    HG2  LYS   3           HG2      LYS   3   4.580  -5.760   5.659
   23    HG3  LYS   3           HG1      LYS   3   4.201  -5.341   3.988
   24    HD2  LYS   3           HD2      LYS   3   5.727  -7.071   3.199
   25    HD3  LYS   3           HD1      LYS   3   6.152  -7.471   4.864
   26    HE2  LYS   3           HE2      LYS   3   3.424  -7.730   3.605
   27    HE3  LYS   3           HE1      LYS   3   4.527  -9.053   3.975
   28    HZ1  LYS   3           HZ1      LYS   3   4.343  -8.496   6.325
   29    HZ2  LYS   3           HZ2      LYS   3   2.824  -8.838   5.664
   30    HZ3  LYS   3           HZ3      LYS   3   3.271  -7.238   5.963
   31    H    LYS   4           HN       LYS   4   5.571  -5.502   1.216
   32    HA   LYS   4           HA       LYS   4   4.233  -3.151   0.272
   33    HB2  LYS   4           HB2      LYS   4   4.941  -4.870  -1.317
   34    HB3  LYS   4           HB1      LYS   4   3.948  -6.071  -0.496
   35    HG2  LYS   4           HG2      LYS   4   1.929  -4.833  -1.151
   36    HG3  LYS   4           HG1      LYS   4   2.939  -3.663  -2.007
   37    HD2  LYS   4           HD2      LYS   4   3.650  -5.278  -3.576
   38    HD3  LYS   4           HD1      LYS   4   3.027  -6.611  -2.603
   39    HE2  LYS   4           HE2      LYS   4   1.561  -6.250  -4.478
   40    HE3  LYS   4           HE1      LYS   4   0.731  -5.773  -2.999
   41    HZ1  LYS   4           HZ1      LYS   4   0.401  -4.202  -4.823
   42    HZ2  LYS   4           HZ2      LYS   4   2.065  -3.904  -4.881
   43    HZ3  LYS   4           HZ3      LYS   4   1.177  -3.474  -3.507
   44    HA   PRO   5           HA       PRO   5   0.860  -3.581   3.145
   45    HB2  PRO   5           HB2      PRO   5  -0.624  -1.724   1.439
   46    HB3  PRO   5           HB1      PRO   5  -0.049  -1.500   3.100
   47    HG2  PRO   5           HG2      PRO   5   0.997  -0.184   0.997
   48    HG3  PRO   5           HG1      PRO   5   1.932  -0.604   2.445
   49    HD2  PRO   5           HD2      PRO   5   1.934  -1.891  -0.242
   50    HD3  PRO   5           HD1      PRO   5   3.275  -1.642   0.896
   51    H    LYS   6           HN       LYS   6  -1.167  -4.525   3.220
   52    HA   LYS   6           HA       LYS   6  -1.789  -6.352   1.139
   53    HB2  LYS   6           HB2      LYS   6  -3.458  -5.477   3.505
   54    HB3  LYS   6           HB1      LYS   6  -3.757  -6.897   2.512
   55    HG2  LYS   6           HG2      LYS   6  -1.702  -7.906   3.260
   56    HG3  LYS   6           HG1      LYS   6  -1.277  -6.449   4.157
   57    HD2  LYS   6           HD2      LYS   6  -2.151  -8.082   5.692
   58    HD3  LYS   6           HD1      LYS   6  -3.311  -6.761   5.538
   59    HE2  LYS   6           HE2      LYS   6  -4.593  -8.119   3.922
   60    HE3  LYS   6           HE1      LYS   6  -3.455  -9.444   4.166
   61    HZ1  LYS   6           HZ1      LYS   6  -4.080  -9.439   6.530
   62    HZ2  LYS   6           HZ2      LYS   6  -5.386  -9.787   5.515
   63    HZ3  LYS   6           HZ3      LYS   6  -5.246  -8.254   6.210
   64    H    LYS   7           HN       LYS   7  -2.620  -5.733  -0.750
   65    HA   LYS   7           HA       LYS   7  -4.030  -3.262  -1.037
   66    HB2  LYS   7           HB2      LYS   7  -2.592  -4.093  -2.850
   67    HB3  LYS   7           HB1      LYS   7  -3.624  -5.508  -3.027
   68    HG2  LYS   7           HG2      LYS   7  -5.509  -4.006  -3.611
   69    HG3  LYS   7           HG1      LYS   7  -4.385  -2.641  -3.563
   70    HD2  LYS   7           HD2      LYS   7  -3.120  -3.528  -5.385
   71    HD3  LYS   7           HD1      LYS   7  -4.011  -5.053  -5.336
   72    HE2  LYS   7           HE2      LYS   7  -5.150  -2.344  -6.047
   73    HE3  LYS   7           HE1      LYS   7  -4.789  -3.647  -7.177
   74    HZ1  LYS   7           HZ1      LYS   7  -7.134  -3.587  -6.628
   75    HZ2  LYS   7           HZ2      LYS   7  -6.790  -3.764  -4.982
   76    HZ3  LYS   7           HZ3      LYS   7  -6.439  -5.021  -6.060
   77    HA   PRO   8           HA       PRO   8  -8.105  -5.010  -0.231
   78    HB2  PRO   8           HB2      PRO   8  -8.984  -2.310  -0.989
   79    HB3  PRO   8           HB1      PRO   8  -9.205  -3.166   0.544
   80    HG2  PRO   8           HG2      PRO   8  -7.567  -1.068   0.309
   81    HG3  PRO   8           HG1      PRO   8  -7.247  -2.417   1.416
   82    HD2  PRO   8           HD2      PRO   8  -6.027  -1.828  -1.241
   83    HD3  PRO   8           HD1      PRO   8  -5.277  -2.468   0.242
   84    H    GLY   9           HN       GLY   9  -9.824  -5.616  -1.594
   85    HA2  GLY   9           HA2      GLY   9  -9.578  -4.741  -4.392
   86    HA3  GLY   9           HA1      GLY   9  -9.654  -6.449  -4.004
   87    H    ASP  10           HN       ASP  10 -11.619  -7.370  -3.432
   88    HA   ASP  10           HA       ASP  10 -13.827  -5.972  -4.669
   89    HB2  ASP  10           HB2      ASP  10 -13.397  -8.317  -5.234
   90    HB3  ASP  10           HB1      ASP  10 -13.677  -8.780  -3.560
   91    H    ASN  11           HN       ASN  11 -12.972  -7.090  -1.460
   92    HA   ASN  11           HA       ASN  11 -15.533  -6.035  -0.470
   93    HB2  ASN  11           HB2      ASN  11 -13.709  -8.116   0.743
   94    HB3  ASN  11           HB1      ASN  11 -15.083  -7.406   1.583
   95   HD21  ASN  11          HD21      ASN  11 -16.830  -7.242  -0.628
   96   HD22  ASN  11          HD22      ASN  11 -17.299  -8.848  -1.053
   97    H    ALA  12           HN       ALA  12 -14.406  -3.944  -0.770
   98    HA   ALA  12           HA       ALA  12 -13.494  -3.011   1.775
   99    HB1  ALA  12           HB1      ALA  12 -11.361  -2.099   1.013
  100    HB2  ALA  12           HB2      ALA  12 -11.585  -2.878  -0.553
  101    HB3  ALA  12           HB3      ALA  12 -11.386  -3.858   0.899
  102    H    THR  13           HN       THR  13 -13.529  -0.748   1.937
  103    HA   THR  13           HA       THR  13 -15.283   0.522   0.032
  104    HB   THR  13           HB       THR  13 -15.136   2.451   1.626
  105    HG1  THR  13           HG1      THR  13 -14.100   1.016   3.679
  106   HG21  THR  13          HG21      THR  13 -16.452   1.387   3.367
  107   HG22  THR  13          HG22      THR  13 -15.863  -0.199   2.869
  108   HG23  THR  13          HG23      THR  13 -16.892   0.737   1.788
  109    HA   PRO  14           HA       PRO  14 -12.306   2.777  -2.404
  110    HB2  PRO  14           HB2      PRO  14 -13.974   5.172  -1.753
  111    HB3  PRO  14           HB1      PRO  14 -13.425   4.578  -3.335
  112    HG2  PRO  14           HG2      PRO  14 -15.919   4.228  -2.619
  113    HG3  PRO  14           HG1      PRO  14 -15.026   2.918  -3.422
  114    HD2  PRO  14           HD2      PRO  14 -15.726   3.209  -0.528
  115    HD3  PRO  14           HD1      PRO  14 -15.718   1.754  -1.542
  116    H    GLU  15           HN       GLU  15 -13.355   4.118   0.674
  117    HA   GLU  15           HA       GLU  15 -11.254   5.941   1.077
  118    HB2  GLU  15           HB2      GLU  15 -13.316   5.981   2.389
  119    HB3  GLU  15           HB1      GLU  15 -12.923   4.418   3.084
  120    HG2  GLU  15           HG2      GLU  15 -10.957   5.409   4.158
  121    HG3  GLU  15           HG1      GLU  15 -11.404   6.976   3.491
  122    H    LYS  16           HN       LYS  16 -11.567   2.500   1.717
  123    HA   LYS  16           HA       LYS  16  -9.166   2.263   3.215
  124    HB2  LYS  16           HB2      LYS  16 -10.948   0.619   3.432
  125    HB3  LYS  16           HB1      LYS  16 -10.807   0.202   1.729
  126    HG2  LYS  16           HG2      LYS  16  -9.775  -1.474   3.176
  127    HG3  LYS  16           HG1      LYS  16  -8.598  -0.717   2.105
  128    HD2  LYS  16           HD2      LYS  16  -7.840   0.714   3.931
  129    HD3  LYS  16           HD1      LYS  16  -9.043  -0.004   5.005
  130    HE2  LYS  16           HE2      LYS  16  -7.970  -2.156   4.846
  131    HE3  LYS  16           HE1      LYS  16  -6.845  -1.547   3.634
  132    HZ1  LYS  16           HZ1      LYS  16  -5.892  -0.083   5.273
  133    HZ2  LYS  16           HZ2      LYS  16  -5.857  -1.671   5.850
  134    HZ3  LYS  16           HZ3      LYS  16  -7.010  -0.587   6.435
  135    H    LEU  17           HN       LEU  17 -10.013   2.020  -0.180
  136    HA   LEU  17           HA       LEU  17  -7.480   1.150  -1.086
  137    HB2  LEU  17           HB2      LEU  17  -9.810   2.477  -2.404
  138    HB3  LEU  17           HB1      LEU  17  -8.279   2.381  -3.257
  139    HG   LEU  17           HG       LEU  17  -9.632   0.564  -3.987
  140   HD11  LEU  17          HD11      LEU  17  -8.261  -1.341  -3.425
  141   HD12  LEU  17          HD12      LEU  17  -7.634  -0.506  -2.005
  142   HD13  LEU  17          HD13      LEU  17  -7.248   0.092  -3.619
  143   HD21  LEU  17          HD21      LEU  17 -11.208   0.499  -2.123
  144   HD22  LEU  17          HD22      LEU  17  -9.962  -0.211  -1.094
  145   HD23  LEU  17          HD23      LEU  17 -10.570  -1.103  -2.488
  146    H    ALA  18           HN       ALA  18  -8.878   4.353  -0.572
  147    HA   ALA  18           HA       ALA  18  -6.735   5.856  -1.583
  148    HB1  ALA  18           HB1      ALA  18  -8.951   6.790  -1.066
  149    HB2  ALA  18           HB2      ALA  18  -7.650   7.700  -0.300
  150    HB3  ALA  18           HB3      ALA  18  -8.621   6.578   0.653
  151    H    ALA  19           HN       ALA  19  -7.410   4.520   1.597
  152    HA   ALA  19           HA       ALA  19  -5.162   5.467   2.957
  153    HB1  ALA  19           HB1      ALA  19  -6.594   2.849   3.346
  154    HB2  ALA  19           HB2      ALA  19  -7.083   4.391   4.042
  155    HB3  ALA  19           HB3      ALA  19  -5.551   3.655   4.517
  156    H    TYR  20           HN       TYR  20  -5.660   2.498   1.079
  157    HA   TYR  20           HA       TYR  20  -3.107   1.415   1.429
  158    HB2  TYR  20           HB2      TYR  20  -4.818   0.025   0.490
  159    HB3  TYR  20           HB1      TYR  20  -5.068   1.139  -0.848
  160    HD1  TYR  20           HD1      TYR  20  -2.478  -1.077   0.649
  161    HD2  TYR  20           HD2      TYR  20  -3.960   0.801  -2.862
  162    HE1  TYR  20           HE1      TYR  20  -0.845  -2.334  -0.703
  163    HE2  TYR  20           HE2      TYR  20  -2.333  -0.446  -4.225
  164    HH   TYR  20           HH       TYR  20  -0.299  -1.615  -4.054
  165    H    GLU  21           HN       GLU  21  -4.353   3.661  -1.000
  166    HA   GLU  21           HA       GLU  21  -2.034   3.791  -2.572
  167    HB2  GLU  21           HB2      GLU  21  -4.139   5.904  -2.083
  168    HB3  GLU  21           HB1      GLU  21  -2.911   6.000  -3.334
  169    HG2  GLU  21           HG2      GLU  21  -3.840   3.947  -4.353
  170    HG3  GLU  21           HG1      GLU  21  -5.110   3.946  -3.126
  171    H    LYS  22           HN       LYS  22  -2.889   5.382   0.430
  172    HA   LYS  22           HA       LYS  22  -0.748   7.275   0.310
  173    HB2  LYS  22           HB2      LYS  22  -2.825   7.662   1.613
  174    HB3  LYS  22           HB1      LYS  22  -2.341   6.381   2.715
  175    HG2  LYS  22           HG2      LYS  22  -1.843   8.579   3.634
  176    HG3  LYS  22           HG1      LYS  22  -0.364   7.659   3.351
  177    HD2  LYS  22           HD2      LYS  22  -0.013   8.880   1.253
  178    HD3  LYS  22           HD1      LYS  22  -1.489   9.801   1.543
  179    HE2  LYS  22           HE2      LYS  22  -0.515  10.733   3.576
  180    HE3  LYS  22           HE1      LYS  22   0.952   9.791   3.315
  181    HZ1  LYS  22           HZ1      LYS  22  -0.095  11.906   1.517
  182    HZ2  LYS  22           HZ2      LYS  22   1.298  10.992   1.241
  183    HZ3  LYS  22           HZ3      LYS  22   1.232  12.055   2.552
  184    H    GLU  23           HN       GLU  23  -1.271   4.145   1.854
  185    HA   GLU  23           HA       GLU  23   1.292   4.051   3.098
  186    HB2  GLU  23           HB2      GLU  23  -0.614   1.817   2.363
  187    HB3  GLU  23           HB1      GLU  23   0.812   1.626   3.374
  188    HG2  GLU  23           HG2      GLU  23  -0.170   3.254   4.973
  189    HG3  GLU  23           HG1      GLU  23  -1.637   3.270   3.985
  190    H    LEU  24           HN       LEU  24  -0.009   3.163   0.005
  191    HA   LEU  24           HA       LEU  24   2.165   1.688  -1.006
  192    HB2  LEU  24           HB2      LEU  24  -0.136   1.832  -2.002
  193    HB3  LEU  24           HB1      LEU  24   0.265   3.444  -2.561
  194    HG   LEU  24           HG       LEU  24   2.102   2.494  -3.924
  195   HD11  LEU  24          HD11      LEU  24   2.493   0.479  -2.578
  196   HD12  LEU  24          HD12      LEU  24   2.232   0.102  -4.279
  197   HD13  LEU  24          HD13      LEU  24   0.940  -0.166  -3.110
  198   HD21  LEU  24          HD21      LEU  24  -0.609   1.286  -4.447
  199   HD22  LEU  24          HD22      LEU  24   0.673   1.527  -5.634
  200   HD23  LEU  24          HD23      LEU  24  -0.107   2.919  -4.884
  201    H    ALA  25           HN       ALA  25   1.413   5.128  -0.984
  202    HA   ALA  25           HA       ALA  25   3.533   6.035  -2.559
  203    HB1  ALA  25           HB1      ALA  25   3.166   8.196  -1.486
  204    HB2  ALA  25           HB2      ALA  25   2.197   7.411  -0.237
  205    HB3  ALA  25           HB3      ALA  25   1.635   7.427  -1.908
  206    H    ALA  26           HN       ALA  26   3.332   5.334   0.891
  207    HA   ALA  26           HA       ALA  26   5.964   6.183   1.526
  208    HB1  ALA  26           HB1      ALA  26   4.259   5.967   3.245
  209    HB2  ALA  26           HB2      ALA  26   5.641   4.939   3.616
  210    HB3  ALA  26           HB3      ALA  26   4.167   4.232   2.957
  211    H    TYR  27           HN       TYR  27   4.504   3.086   0.705
  212    HA   TYR  27           HA       TYR  27   6.787   1.494   1.037
  213    HB2  TYR  27           HB2      TYR  27   4.709   0.371   0.896
  214    HB3  TYR  27           HB1      TYR  27   4.295   1.166  -0.623
  215    HD1  TYR  27           HD1      TYR  27   4.906   0.226  -2.683
  216    HD2  TYR  27           HD2      TYR  27   6.539  -1.348   0.903
  217    HE1  TYR  27           HE1      TYR  27   5.838  -1.664  -3.948
  218    HE2  TYR  27           HE2      TYR  27   7.482  -3.246  -0.351
  219    HH   TYR  27           HH       TYR  27   7.245  -4.417  -2.370
  220    H    GLU  28           HN       GLU  28   5.485   3.119  -1.848
  221    HA   GLU  28           HA       GLU  28   7.414   2.137  -3.638
  222    HB2  GLU  28           HB2      GLU  28   5.761   4.664  -3.728
  223    HB3  GLU  28           HB1      GLU  28   6.791   4.130  -5.047
  224    HG2  GLU  28           HG2      GLU  28   5.480   2.024  -5.152
  225    HG3  GLU  28           HG1      GLU  28   4.382   2.695  -3.940
  226    H    LYS  29           HN       LYS  29   7.450   4.832  -1.421
  227    HA   LYS  29           HA       LYS  29   9.761   6.115  -2.421
  228    HB2  LYS  29           HB2      LYS  29   8.165   7.147  -0.819
  229    HB3  LYS  29           HB1      LYS  29   8.735   6.040   0.423
  230    HG2  LYS  29           HG2      LYS  29  10.940   7.012   0.346
  231    HG3  LYS  29           HG1      LYS  29  10.470   8.056  -0.996
  232    HD2  LYS  29           HD2      LYS  29   9.386   8.135   1.823
  233    HD3  LYS  29           HD1      LYS  29  10.453   9.318   1.069
  234    HE2  LYS  29           HE2      LYS  29   7.605   8.697   0.302
  235    HE3  LYS  29           HE1      LYS  29   8.195  10.161   1.079
  236    HZ1  LYS  29           HZ1      LYS  29   7.809  10.455  -1.300
  237    HZ2  LYS  29           HZ2      LYS  29   8.957   9.265  -1.650
  238    HZ3  LYS  29           HZ3      LYS  29   9.432  10.704  -0.899
  239    H    GLU  30           HN       GLU  30   9.273   3.744   0.162
  240    HA   GLU  30           HA       GLU  30  12.004   3.354   0.768
  241    HB2  GLU  30           HB2      GLU  30   9.677   1.452   1.120
  242    HB3  GLU  30           HB1      GLU  30  11.240   1.322   1.908
  243    HG2  GLU  30           HG2      GLU  30   9.390   3.660   2.253
  244    HG3  GLU  30           HG1      GLU  30   9.426   2.263   3.325
  245    H    LEU  31           HN       LEU  31   9.814   1.915  -1.550
  246    HA   LEU  31           HA       LEU  31  11.414  -0.268  -2.339
  247    HB2  LEU  31           HB2      LEU  31   8.994  -0.028  -2.846
  248    HB3  LEU  31           HB1      LEU  31   9.377   1.267  -3.964
  249    HG   LEU  31           HG       LEU  31  10.686  -0.345  -5.323
  250   HD11  LEU  31          HD11      LEU  31  10.406  -2.733  -4.909
  251   HD12  LEU  31          HD12      LEU  31   9.517  -2.374  -3.428
  252   HD13  LEU  31          HD13      LEU  31  11.221  -1.939  -3.561
  253   HD21  LEU  31          HD21      LEU  31   7.809  -1.085  -4.818
  254   HD22  LEU  31          HD22      LEU  31   8.740  -1.494  -6.259
  255   HD23  LEU  31          HD23      LEU  31   8.380   0.193  -5.891
  256    H    ALA  32           HN       ALA  32  11.163   3.048  -3.513
  257    HA   ALA  32           HA       ALA  32  12.857   2.835  -5.719
  258    HB1  ALA  32           HB1      ALA  32  13.051   5.242  -5.601
  259    HB2  ALA  32           HB2      ALA  32  12.444   5.230  -3.945
  260    HB3  ALA  32           HB3      ALA  32  11.390   4.749  -5.273
  261    H    ALA  33           HN       ALA  33  13.549   3.416  -2.316
  262    HA   ALA  33           HA       ALA  33  16.329   3.905  -2.691
  263    HB1  ALA  33           HB1      ALA  33  15.134   4.748  -0.749
  264    HB2  ALA  33           HB2      ALA  33  16.468   3.704  -0.257
  265    HB3  ALA  33           HB3      ALA  33  14.811   3.099  -0.219
  266    H    TYR  34           HN       TYR  34  14.362   1.072  -2.110
  267    HA   TYR  34           HA       TYR  34  16.488  -0.700  -1.450
  268    HB2  TYR  34           HB2      TYR  34  14.127  -1.154  -0.864
  269    HB3  TYR  34           HB1      TYR  34  13.745  -1.321  -2.576
  270    HD1  TYR  34           HD1      TYR  34  13.976  -3.389  -3.649
  271    HD2  TYR  34           HD2      TYR  34  15.811  -2.784   0.137
  272    HE1  TYR  34           HE1      TYR  34  14.537  -5.781  -3.546
  273    HE2  TYR  34           HE2      TYR  34  16.377  -5.177   0.251
  274    HH   TYR  34           HH       TYR  34  15.676  -7.284  -0.683
  275    HN1  NH2  35           HN1      NH2  35  14.766   0.029  -4.439
  276    HN2  NH2  35           HN2      NH2  35  15.898  -0.737  -5.499
  Start of MODEL   10
    1    H1   ACE   0           HA1      ACE   0  15.700  -2.207   1.787
    2    H2   ACE   0           HA2      ACE   0  16.005  -0.956   2.987
    3    H3   ACE   0           HA3      ACE   0  14.385  -1.119   2.319
    4    HA   PRO   1           HA       PRO   1  13.758  -3.980   1.501
    5    HB2  PRO   1           HB2      PRO   1  12.894  -6.389   2.608
    6    HB3  PRO   1           HB1      PRO   1  14.294  -6.210   1.536
    7    HG2  PRO   1           HG2      PRO   1  14.197  -6.425   4.493
    8    HG3  PRO   1           HG1      PRO   1  15.382  -7.078   3.343
    9    HD2  PRO   1           HD2      PRO   1  15.925  -4.899   4.823
   10    HD3  PRO   1           HD1      PRO   1  16.518  -5.065   3.157
   11    HA   PRO   2           HA       PRO   2  10.220  -2.554   3.908
   12    HB2  PRO   2           HB2      PRO   2   9.015  -1.229   1.869
   13    HB3  PRO   2           HB1      PRO   2  10.390  -0.557   2.767
   14    HG2  PRO   2           HG2      PRO   2  10.288  -1.679   0.050
   15    HG3  PRO   2           HG1      PRO   2  11.384  -0.473   0.744
   16    HD2  PRO   2           HD2      PRO   2  11.934  -3.211   0.311
   17    HD3  PRO   2           HD1      PRO   2  12.936  -2.048   1.202
   18    H    LYS   3           HN       LYS   3   8.157  -3.316   4.124
   19    HA   LYS   3           HA       LYS   3   7.501  -5.603   2.455
   20    HB2  LYS   3           HB2      LYS   3   7.370  -5.861   4.882
   21    HB3  LYS   3           HB1      LYS   3   6.205  -4.548   4.974
   22    HG2  LYS   3           HG2      LYS   3   4.643  -5.885   3.612
   23    HG3  LYS   3           HG1      LYS   3   5.803  -7.214   3.644
   24    HD2  LYS   3           HD2      LYS   3   5.641  -7.336   6.058
   25    HD3  LYS   3           HD1      LYS   3   4.556  -5.944   6.078
   26    HE2  LYS   3           HE2      LYS   3   4.008  -8.604   4.774
   27    HE3  LYS   3           HE1      LYS   3   3.320  -8.035   6.294
   28    HZ1  LYS   3           HZ1      LYS   3   1.793  -7.740   4.442
   29    HZ2  LYS   3           HZ2      LYS   3   2.915  -6.758   3.644
   30    HZ3  LYS   3           HZ3      LYS   3   2.233  -6.248   5.104
   31    H    LYS   4           HN       LYS   4   5.809  -5.750   1.111
   32    HA   LYS   4           HA       LYS   4   4.452  -3.336   0.328
   33    HB2  LYS   4           HB2      LYS   4   5.103  -4.899  -1.406
   34    HB3  LYS   4           HB1      LYS   4   4.230  -6.208  -0.611
   35    HG2  LYS   4           HG2      LYS   4   2.111  -4.974  -1.033
   36    HG3  LYS   4           HG1      LYS   4   3.038  -3.791  -1.960
   37    HD2  LYS   4           HD2      LYS   4   3.643  -5.397  -3.586
   38    HD3  LYS   4           HD1      LYS   4   3.098  -6.734  -2.575
   39    HE2  LYS   4           HE2      LYS   4   1.498  -6.336  -4.354
   40    HE3  LYS   4           HE1      LYS   4   0.781  -5.936  -2.795
   41    HZ1  LYS   4           HZ1      LYS   4   0.286  -4.290  -4.518
   42    HZ2  LYS   4           HZ2      LYS   4   1.933  -3.958  -4.682
   43    HZ3  LYS   4           HZ3      LYS   4   1.143  -3.614  -3.230
   44    HA   PRO   5           HA       PRO   5   0.975  -4.094   3.065
   45    HB2  PRO   5           HB2      PRO   5  -0.416  -1.975   1.635
   46    HB3  PRO   5           HB1      PRO   5   0.192  -1.975   3.299
   47    HG2  PRO   5           HG2      PRO   5   1.236  -0.444   1.322
   48    HG3  PRO   5           HG1      PRO   5   2.159  -1.012   2.727
   49    HD2  PRO   5           HD2      PRO   5   2.155  -2.040  -0.071
   50    HD3  PRO   5           HD1      PRO   5   3.500  -1.896   1.084
   51    H    LYS   6           HN       LYS   6  -1.094  -4.961   2.867
   52    HA   LYS   6           HA       LYS   6  -1.514  -6.392   0.413
   53    HB2  LYS   6           HB2      LYS   6  -3.137  -6.291   2.959
   54    HB3  LYS   6           HB1      LYS   6  -3.406  -7.419   1.636
   55    HG2  LYS   6           HG2      LYS   6  -1.234  -8.411   1.998
   56    HG3  LYS   6           HG1      LYS   6  -0.878  -7.230   3.258
   57    HD2  LYS   6           HD2      LYS   6  -2.748  -8.088   4.583
   58    HD3  LYS   6           HD1      LYS   6  -3.092  -9.278   3.325
   59    HE2  LYS   6           HE2      LYS   6  -0.860 -10.245   3.650
   60    HE3  LYS   6           HE1      LYS   6  -0.544  -9.068   4.923
   61    HZ1  LYS   6           HZ1      LYS   6  -2.328 -10.004   6.217
   62    HZ2  LYS   6           HZ2      LYS   6  -1.237 -11.224   5.797
   63    HZ3  LYS   6           HZ3      LYS   6  -2.710 -11.094   4.983
   64    H    LYS   7           HN       LYS   7  -2.858  -5.907  -1.181
   65    HA   LYS   7           HA       LYS   7  -4.331  -3.469  -1.220
   66    HB2  LYS   7           HB2      LYS   7  -3.369  -4.574  -3.265
   67    HB3  LYS   7           HB1      LYS   7  -4.572  -5.843  -3.089
   68    HG2  LYS   7           HG2      LYS   7  -6.337  -4.051  -3.280
   69    HG3  LYS   7           HG1      LYS   7  -5.033  -2.943  -3.736
   70    HD2  LYS   7           HD2      LYS   7  -6.054  -3.780  -5.743
   71    HD3  LYS   7           HD1      LYS   7  -4.448  -4.494  -5.597
   72    HE2  LYS   7           HE2      LYS   7  -6.086  -6.158  -6.307
   73    HE3  LYS   7           HE1      LYS   7  -5.439  -6.555  -4.718
   74    HZ1  LYS   7           HZ1      LYS   7  -7.452  -5.598  -3.726
   75    HZ2  LYS   7           HZ2      LYS   7  -7.815  -6.877  -4.772
   76    HZ3  LYS   7           HZ3      LYS   7  -8.067  -5.282  -5.270
   77    HA   PRO   8           HA       PRO   8  -7.980  -4.934   0.965
   78    HB2  PRO   8           HB2      PRO   8  -9.183  -2.679  -0.573
   79    HB3  PRO   8           HB1      PRO   8  -9.262  -3.032   1.162
   80    HG2  PRO   8           HG2      PRO   8  -7.730  -1.081   0.245
   81    HG3  PRO   8           HG1      PRO   8  -7.215  -2.112   1.595
   82    HD2  PRO   8           HD2      PRO   8  -6.311  -2.130  -1.239
   83    HD3  PRO   8           HD1      PRO   8  -5.398  -2.472   0.248
   84    H    GLY   9           HN       GLY   9 -10.015  -5.843   0.417
   85    HA2  GLY   9           HA2      GLY   9  -9.946  -7.183  -2.123
   86    HA3  GLY   9           HA1      GLY   9 -11.136  -7.417  -0.852
   87    H    ASP  10           HN       ASP  10 -12.441  -7.531  -2.945
   88    HA   ASP  10           HA       ASP  10 -12.977  -5.040  -4.285
   89    HB2  ASP  10           HB2      ASP  10 -14.312  -7.747  -4.458
   90    HB3  ASP  10           HB1      ASP  10 -14.744  -6.369  -5.460
   91    H    ASN  11           HN       ASN  11 -13.945  -6.376  -1.406
   92    HA   ASN  11           HA       ASN  11 -16.623  -5.197  -1.436
   93    HB2  ASN  11           HB2      ASN  11 -16.971  -6.376   0.671
   94    HB3  ASN  11           HB1      ASN  11 -16.337  -7.488  -0.536
   95   HD21  ASN  11          HD21      ASN  11 -15.711  -5.854   2.462
   96   HD22  ASN  11          HD22      ASN  11 -14.242  -6.686   2.837
   97    H    ALA  12           HN       ALA  12 -13.837  -3.827  -1.176
   98    HA   ALA  12           HA       ALA  12 -14.257  -2.473   1.387
   99    HB1  ALA  12           HB1      ALA  12 -11.953  -1.682   1.154
  100    HB2  ALA  12           HB2      ALA  12 -11.828  -2.517  -0.396
  101    HB3  ALA  12           HB3      ALA  12 -12.056  -3.440   1.089
  102    H    THR  13           HN       THR  13 -14.171  -0.215   1.532
  103    HA   THR  13           HA       THR  13 -15.512   1.130  -0.601
  104    HB   THR  13           HB       THR  13 -15.228   3.122   0.979
  105    HG1  THR  13           HG1      THR  13 -14.781   1.474   3.115
  106   HG21  THR  13          HG21      THR  13 -16.949   2.279   2.513
  107   HG22  THR  13          HG22      THR  13 -16.625   0.635   1.962
  108   HG23  THR  13          HG23      THR  13 -17.284   1.828   0.843
  109    HA   PRO  14           HA       PRO  14 -12.169   3.118  -2.795
  110    HB2  PRO  14           HB2      PRO  14 -13.658   5.659  -2.258
  111    HB3  PRO  14           HB1      PRO  14 -13.037   5.022  -3.795
  112    HG2  PRO  14           HG2      PRO  14 -15.604   4.900  -3.286
  113    HG3  PRO  14           HG1      PRO  14 -14.769   3.521  -4.037
  114    HD2  PRO  14           HD2      PRO  14 -15.686   3.845  -1.206
  115    HD3  PRO  14           HD1      PRO  14 -15.706   2.402  -2.237
  116    H    GLU  15           HN       GLU  15 -13.349   4.612   0.180
  117    HA   GLU  15           HA       GLU  15 -11.100   6.194   0.754
  118    HB2  GLU  15           HB2      GLU  15 -13.295   6.426   1.885
  119    HB3  GLU  15           HB1      GLU  15 -13.019   4.892   2.695
  120    HG2  GLU  15           HG2      GLU  15 -10.994   5.892   3.739
  121    HG3  GLU  15           HG1      GLU  15 -11.470   7.436   3.046
  122    H    LYS  16           HN       LYS  16 -11.774   2.800   1.252
  123    HA   LYS  16           HA       LYS  16  -9.590   2.364   3.053
  124    HB2  LYS  16           HB2      LYS  16 -11.717   0.984   2.926
  125    HB3  LYS  16           HB1      LYS  16 -11.075   0.281   1.446
  126    HG2  LYS  16           HG2      LYS  16 -10.626  -1.216   3.252
  127    HG3  LYS  16           HG1      LYS  16  -9.095  -0.488   2.757
  128    HD2  LYS  16           HD2      LYS  16  -9.174   1.051   4.613
  129    HD3  LYS  16           HD1      LYS  16 -10.781   0.483   5.063
  130    HE2  LYS  16           HE2      LYS  16  -9.149  -0.494   6.538
  131    HE3  LYS  16           HE1      LYS  16  -9.823  -1.752   5.508
  132    HZ1  LYS  16           HZ1      LYS  16  -7.225  -0.392   5.048
  133    HZ2  LYS  16           HZ2      LYS  16  -7.860  -1.675   4.145
  134    HZ3  LYS  16           HZ3      LYS  16  -7.411  -1.915   5.756
  135    H    LEU  17           HN       LEU  17 -10.171   2.043  -0.399
  136    HA   LEU  17           HA       LEU  17  -7.667   0.889  -1.049
  137    HB2  LEU  17           HB2      LEU  17  -9.746   2.372  -2.595
  138    HB3  LEU  17           HB1      LEU  17  -8.164   2.139  -3.316
  139    HG   LEU  17           HG       LEU  17  -9.637   0.427  -4.120
  140   HD11  LEU  17          HD11      LEU  17  -7.783  -0.743  -2.058
  141   HD12  LEU  17          HD12      LEU  17  -7.330  -0.235  -3.683
  142   HD13  LEU  17          HD13      LEU  17  -8.446  -1.579  -3.460
  143   HD21  LEU  17          HD21      LEU  17 -10.777  -1.144  -2.679
  144   HD22  LEU  17          HD22      LEU  17 -11.283   0.503  -2.304
  145   HD23  LEU  17          HD23      LEU  17 -10.141  -0.332  -1.250
  146    H    ALA  18           HN       ALA  18  -8.791   4.209  -0.715
  147    HA   ALA  18           HA       ALA  18  -6.478   5.521  -1.567
  148    HB1  ALA  18           HB1      ALA  18  -8.614   6.645  -1.162
  149    HB2  ALA  18           HB2      ALA  18  -7.292   7.423  -0.291
  150    HB3  ALA  18           HB3      ALA  18  -8.419   6.374   0.569
  151    H    ALA  19           HN       ALA  19  -7.376   4.146   1.539
  152    HA   ALA  19           HA       ALA  19  -5.173   4.984   3.042
  153    HB1  ALA  19           HB1      ALA  19  -7.175   3.964   4.013
  154    HB2  ALA  19           HB2      ALA  19  -5.702   3.146   4.536
  155    HB3  ALA  19           HB3      ALA  19  -6.723   2.417   3.296
  156    H    TYR  20           HN       TYR  20  -5.667   2.110   1.033
  157    HA   TYR  20           HA       TYR  20  -3.150   0.938   1.470
  158    HB2  TYR  20           HB2      TYR  20  -4.791  -0.432   0.446
  159    HB3  TYR  20           HB1      TYR  20  -5.108   0.754  -0.812
  160    HD1  TYR  20           HD1      TYR  20  -4.155   0.457  -2.894
  161    HD2  TYR  20           HD2      TYR  20  -2.332  -1.390   0.473
  162    HE1  TYR  20           HE1      TYR  20  -2.548  -0.658  -4.387
  163    HE2  TYR  20           HE2      TYR  20  -0.719  -2.515  -1.012
  164    HH   TYR  20           HH       TYR  20  -0.385  -1.669  -4.334
  165    H    GLU  21           HN       GLU  21  -4.283   3.184  -1.032
  166    HA   GLU  21           HA       GLU  21  -1.877   3.341  -2.462
  167    HB2  GLU  21           HB2      GLU  21  -4.006   5.455  -2.107
  168    HB3  GLU  21           HB1      GLU  21  -2.729   5.511  -3.309
  169    HG2  GLU  21           HG2      GLU  21  -3.631   3.446  -4.321
  170    HG3  GLU  21           HG1      GLU  21  -4.946   3.476  -3.142
  171    H    LYS  22           HN       LYS  22  -2.955   4.937   0.447
  172    HA   LYS  22           HA       LYS  22  -0.958   6.927   0.575
  173    HB2  LYS  22           HB2      LYS  22  -3.021   6.995   1.907
  174    HB3  LYS  22           HB1      LYS  22  -2.489   5.582   2.807
  175    HG2  LYS  22           HG2      LYS  22  -0.538   6.908   3.611
  176    HG3  LYS  22           HG1      LYS  22  -1.241   8.324   2.825
  177    HD2  LYS  22           HD2      LYS  22  -3.286   8.012   4.196
  178    HD3  LYS  22           HD1      LYS  22  -2.486   6.682   5.034
  179    HE2  LYS  22           HE2      LYS  22  -2.341   8.710   6.348
  180    HE3  LYS  22           HE1      LYS  22  -0.738   8.234   5.791
  181    HZ1  LYS  22           HZ1      LYS  22  -2.435  10.324   4.536
  182    HZ2  LYS  22           HZ2      LYS  22  -0.872   9.894   4.057
  183    HZ3  LYS  22           HZ3      LYS  22  -1.123  10.618   5.562
  184    H    GLU  23           HN       GLU  23  -1.157   3.627   1.840
  185    HA   GLU  23           HA       GLU  23   1.473   3.742   2.986
  186    HB2  GLU  23           HB2      GLU  23  -0.360   1.398   2.455
  187    HB3  GLU  23           HB1      GLU  23   1.174   1.286   3.313
  188    HG2  GLU  23           HG2      GLU  23   0.237   2.975   4.943
  189    HG3  GLU  23           HG1      GLU  23  -1.328   2.720   4.159
  190    H    LEU  24           HN       LEU  24   0.055   2.766  -0.025
  191    HA   LEU  24           HA       LEU  24   2.229   1.352  -1.119
  192    HB2  LEU  24           HB2      LEU  24  -0.070   1.426  -2.079
  193    HB3  LEU  24           HB1      LEU  24   0.220   3.084  -2.570
  194    HG   LEU  24           HG       LEU  24   2.074   2.304  -4.019
  195   HD11  LEU  24          HD11      LEU  24   2.293  -0.065  -4.515
  196   HD12  LEU  24          HD12      LEU  24   1.077  -0.445  -3.296
  197   HD13  LEU  24          HD13      LEU  24   2.622   0.254  -2.812
  198   HD21  LEU  24          HD21      LEU  24  -0.588   0.997  -4.552
  199   HD22  LEU  24          HD22      LEU  24   0.656   1.359  -5.749
  200   HD23  LEU  24          HD23      LEU  24  -0.170   2.672  -4.911
  201    H    ALA  25           HN       ALA  25   1.396   4.774  -1.058
  202    HA   ALA  25           HA       ALA  25   3.505   5.761  -2.594
  203    HB1  ALA  25           HB1      ALA  25   1.579   7.095  -1.870
  204    HB2  ALA  25           HB2      ALA  25   3.108   7.876  -1.464
  205    HB3  ALA  25           HB3      ALA  25   2.180   7.047  -0.213
  206    H    ALA  26           HN       ALA  26   3.300   5.001   0.850
  207    HA   ALA  26           HA       ALA  26   5.908   5.867   1.525
  208    HB1  ALA  26           HB1      ALA  26   5.598   4.597   3.580
  209    HB2  ALA  26           HB2      ALA  26   4.185   3.804   2.884
  210    HB3  ALA  26           HB3      ALA  26   4.157   5.538   3.198
  211    H    TYR  27           HN       TYR  27   4.545   2.775   0.535
  212    HA   TYR  27           HA       TYR  27   6.885   1.251   0.818
  213    HB2  TYR  27           HB2      TYR  27   4.789   0.112   0.592
  214    HB3  TYR  27           HB1      TYR  27   4.478   0.881  -0.965
  215    HD1  TYR  27           HD1      TYR  27   5.229  -0.100  -2.955
  216    HD2  TYR  27           HD2      TYR  27   6.709  -1.515   0.765
  217    HE1  TYR  27           HE1      TYR  27   6.324  -1.973  -4.116
  218    HE2  TYR  27           HE2      TYR  27   7.816  -3.394  -0.379
  219    HH   TYR  27           HH       TYR  27   7.616  -4.662  -2.472
  220    H    GLU  28           HN       GLU  28   5.522   2.921  -2.023
  221    HA   GLU  28           HA       GLU  28   7.580   2.165  -3.787
  222    HB2  GLU  28           HB2      GLU  28   5.728   4.554  -3.871
  223    HB3  GLU  28           HB1      GLU  28   6.812   4.103  -5.180
  224    HG2  GLU  28           HG2      GLU  28   5.657   1.889  -5.277
  225    HG3  GLU  28           HG1      GLU  28   4.482   2.511  -4.114
  226    H    LYS  29           HN       LYS  29   7.341   4.750  -1.455
  227    HA   LYS  29           HA       LYS  29   9.591   6.241  -2.283
  228    HB2  LYS  29           HB2      LYS  29   8.000   7.158  -0.685
  229    HB3  LYS  29           HB1      LYS  29   8.382   5.885   0.468
  230    HG2  LYS  29           HG2      LYS  29  10.647   6.741   0.691
  231    HG3  LYS  29           HG1      LYS  29  10.305   8.000  -0.494
  232    HD2  LYS  29           HD2      LYS  29   8.890   7.675   2.158
  233    HD3  LYS  29           HD1      LYS  29  10.198   8.815   1.837
  234    HE2  LYS  29           HE2      LYS  29   7.527   8.768   0.433
  235    HE3  LYS  29           HE1      LYS  29   7.987   9.881   1.718
  236    HZ1  LYS  29           HZ1      LYS  29   9.729  10.754   0.298
  237    HZ2  LYS  29           HZ2      LYS  29   8.230  10.885  -0.468
  238    HZ3  LYS  29           HZ3      LYS  29   9.311   9.673  -0.932
  239    H    GLU  30           HN       GLU  30   9.227   3.673   0.147
  240    HA   GLU  30           HA       GLU  30  11.990   3.493   0.737
  241    HB2  GLU  30           HB2      GLU  30   9.813   1.437   1.124
  242    HB3  GLU  30           HB1      GLU  30  11.413   1.378   1.845
  243    HG2  GLU  30           HG2      GLU  30   9.276   3.424   2.355
  244    HG3  GLU  30           HG1      GLU  30   9.845   2.176   3.464
  245    H    LEU  31           HN       LEU  31   9.937   2.022  -1.644
  246    HA   LEU  31           HA       LEU  31  11.609  -0.055  -2.527
  247    HB2  LEU  31           HB2      LEU  31   9.224   0.207  -3.140
  248    HB3  LEU  31           HB1      LEU  31   9.642   1.607  -4.110
  249    HG   LEU  31           HG       LEU  31  11.042   0.131  -5.547
  250   HD11  LEU  31          HD11      LEU  31   9.753  -2.058  -3.929
  251   HD12  LEU  31          HD12      LEU  31  11.464  -1.626  -3.912
  252   HD13  LEU  31          HD13      LEU  31  10.733  -2.280  -5.378
  253   HD21  LEU  31          HD21      LEU  31   9.139  -0.921  -6.683
  254   HD22  LEU  31          HD22      LEU  31   8.782   0.737  -6.201
  255   HD23  LEU  31          HD23      LEU  31   8.133  -0.611  -5.269
  256    H    ALA  32           HN       ALA  32  11.398   3.342  -3.421
  257    HA   ALA  32           HA       ALA  32  13.236   3.328  -5.532
  258    HB1  ALA  32           HB1      ALA  32  13.361   5.725  -5.208
  259    HB2  ALA  32           HB2      ALA  32  12.625   5.566  -3.614
  260    HB3  ALA  32           HB3      ALA  32  11.693   5.173  -5.057
  261    H    ALA  33           HN       ALA  33  13.663   3.509  -2.059
  262    HA   ALA  33           HA       ALA  33  16.469   4.125  -2.220
  263    HB1  ALA  33           HB1      ALA  33  16.434   3.891   0.210
  264    HB2  ALA  33           HB2      ALA  33  14.787   3.268   0.124
  265    HB3  ALA  33           HB3      ALA  33  15.126   4.929  -0.356
  266    H    TYR  34           HN       TYR  34  14.587   1.316  -2.441
  267    HA   TYR  34           HA       TYR  34  16.694  -0.453  -1.496
  268    HB2  TYR  34           HB2      TYR  34  14.270  -0.899  -1.004
  269    HB3  TYR  34           HB1      TYR  34  14.020  -1.165  -2.725
  270    HD1  TYR  34           HD1      TYR  34  13.936  -3.365  -3.387
  271    HD2  TYR  34           HD2      TYR  34  16.383  -2.322  -0.072
  272    HE1  TYR  34           HE1      TYR  34  14.548  -5.731  -3.102
  273    HE2  TYR  34           HE2      TYR  34  17.006  -4.683   0.221
  274    HH   TYR  34           HH       TYR  34  16.344  -7.063  -2.117
  275    HN1  NH2  35           HN1      NH2  35  15.210   0.626  -4.457
  276    HN2  NH2  35           HN2      NH2  35  16.285  -0.189  -5.537
  Start of MODEL   11
    1    H1   ACE   0           HA1      ACE   0  15.901  -0.669   2.652
    2    H2   ACE   0           HA2      ACE   0  14.224  -0.933   2.187
    3    H3   ACE   0           HA3      ACE   0  15.446  -2.087   1.661
    4    HA   PRO   1           HA       PRO   1  13.906  -4.083   1.765
    5    HB2  PRO   1           HB2      PRO   1  13.397  -6.004   3.997
    6    HB3  PRO   1           HB1      PRO   1  13.815  -6.338   2.308
    7    HG2  PRO   1           HG2      PRO   1  15.599  -6.636   4.237
    8    HG3  PRO   1           HG1      PRO   1  16.056  -5.997   2.645
    9    HD2  PRO   1           HD2      PRO   1  15.735  -4.552   5.231
   10    HD3  PRO   1           HD1      PRO   1  16.847  -4.227   3.888
   11    HA   PRO   2           HA       PRO   2  10.210  -2.317   3.677
   12    HB2  PRO   2           HB2      PRO   2   9.073  -1.476   1.382
   13    HB3  PRO   2           HB1      PRO   2  10.453  -0.625   2.105
   14    HG2  PRO   2           HG2      PRO   2  10.363  -2.422  -0.242
   15    HG3  PRO   2           HG1      PRO   2  11.399  -1.019   0.077
   16    HD2  PRO   2           HD2      PRO   2  12.114  -3.718   0.392
   17    HD3  PRO   2           HD1      PRO   2  13.013  -2.312   0.998
   18    H    LYS   3           HN       LYS   3   8.016  -2.935   3.766
   19    HA   LYS   3           HA       LYS   3   7.453  -5.488   2.418
   20    HB2  LYS   3           HB2      LYS   3   5.820  -5.911   4.226
   21    HB3  LYS   3           HB1      LYS   3   7.446  -5.682   4.843
   22    HG2  LYS   3           HG2      LYS   3   6.899  -3.414   5.514
   23    HG3  LYS   3           HG1      LYS   3   5.281  -3.592   4.836
   24    HD2  LYS   3           HD2      LYS   3   4.954  -3.977   7.108
   25    HD3  LYS   3           HD1      LYS   3   5.065  -5.602   6.436
   26    HE2  LYS   3           HE2      LYS   3   7.374  -4.127   7.696
   27    HE3  LYS   3           HE1      LYS   3   6.335  -5.254   8.562
   28    HZ1  LYS   3           HZ1      LYS   3   8.267  -6.414   7.892
   29    HZ2  LYS   3           HZ2      LYS   3   8.160  -5.857   6.306
   30    HZ3  LYS   3           HZ3      LYS   3   7.018  -6.959   6.891
   31    H    LYS   4           HN       LYS   4   5.599  -5.737   1.217
   32    HA   LYS   4           HA       LYS   4   4.478  -3.294   0.208
   33    HB2  LYS   4           HB2      LYS   4   5.089  -5.347  -1.167
   34    HB3  LYS   4           HB1      LYS   4   3.663  -6.126  -0.484
   35    HG2  LYS   4           HG2      LYS   4   2.237  -4.427  -1.489
   36    HG3  LYS   4           HG1      LYS   4   3.656  -3.606  -2.142
   37    HD2  LYS   4           HD2      LYS   4   2.692  -6.382  -2.838
   38    HD3  LYS   4           HD1      LYS   4   2.621  -4.949  -3.865
   39    HE2  LYS   4           HE2      LYS   4   5.087  -4.842  -3.840
   40    HE3  LYS   4           HE1      LYS   4   5.122  -6.320  -2.880
   41    HZ1  LYS   4           HZ1      LYS   4   4.049  -6.048  -5.632
   42    HZ2  LYS   4           HZ2      LYS   4   3.998  -7.461  -4.706
   43    HZ3  LYS   4           HZ3      LYS   4   5.484  -6.823  -5.185
   44    HA   PRO   5           HA       PRO   5   0.948  -3.339   2.911
   45    HB2  PRO   5           HB2      PRO   5  -0.490  -1.614   1.088
   46    HB3  PRO   5           HB1      PRO   5   0.259  -1.200   2.639
   47    HG2  PRO   5           HG2      PRO   5   1.142  -0.302   0.227
   48    HG3  PRO   5           HG1      PRO   5   2.153  -0.451   1.676
   49    HD2  PRO   5           HD2      PRO   5   1.995  -2.228  -0.706
   50    HD3  PRO   5           HD1      PRO   5   3.396  -1.791   0.296
   51    H    LYS   6           HN       LYS   6  -1.277  -3.948   2.956
   52    HA   LYS   6           HA       LYS   6  -1.859  -6.022   1.045
   53    HB2  LYS   6           HB2      LYS   6  -3.396  -5.021   3.447
   54    HB3  LYS   6           HB1      LYS   6  -3.807  -6.457   2.516
   55    HG2  LYS   6           HG2      LYS   6  -1.774  -7.538   3.175
   56    HG3  LYS   6           HG1      LYS   6  -1.192  -6.068   3.954
   57    HD2  LYS   6           HD2      LYS   6  -3.077  -6.190   5.535
   58    HD3  LYS   6           HD1      LYS   6  -3.592  -7.697   4.775
   59    HE2  LYS   6           HE2      LYS   6  -0.947  -7.226   6.147
   60    HE3  LYS   6           HE1      LYS   6  -2.315  -8.108   6.822
   61    HZ1  LYS   6           HZ1      LYS   6  -0.734  -9.650   5.939
   62    HZ2  LYS   6           HZ2      LYS   6  -0.718  -8.873   4.440
   63    HZ3  LYS   6           HZ3      LYS   6  -2.110  -9.682   4.956
   64    H    LYS   7           HN       LYS   7  -3.013  -5.763  -0.726
   65    HA   LYS   7           HA       LYS   7  -4.355  -3.249  -1.230
   66    HB2  LYS   7           HB2      LYS   7  -2.956  -4.273  -2.990
   67    HB3  LYS   7           HB1      LYS   7  -4.002  -5.685  -2.993
   68    HG2  LYS   7           HG2      LYS   7  -5.876  -4.304  -3.753
   69    HG3  LYS   7           HG1      LYS   7  -4.818  -2.886  -3.762
   70    HD2  LYS   7           HD2      LYS   7  -5.052  -3.794  -6.011
   71    HD3  LYS   7           HD1      LYS   7  -3.390  -3.961  -5.441
   72    HE2  LYS   7           HE2      LYS   7  -4.159  -5.981  -6.599
   73    HE3  LYS   7           HE1      LYS   7  -3.791  -6.305  -4.905
   74    HZ1  LYS   7           HZ1      LYS   7  -5.850  -7.365  -5.609
   75    HZ2  LYS   7           HZ2      LYS   7  -6.507  -5.866  -6.022
   76    HZ3  LYS   7           HZ3      LYS   7  -6.149  -6.215  -4.407
   77    HA   PRO   8           HA       PRO   8  -8.245  -4.938   0.286
   78    HB2  PRO   8           HB2      PRO   8  -9.251  -2.419  -0.911
   79    HB3  PRO   8           HB1      PRO   8  -9.431  -3.028   0.743
   80    HG2  PRO   8           HG2      PRO   8  -7.819  -0.994   0.190
   81    HG3  PRO   8           HG1      PRO   8  -7.421  -2.203   1.426
   82    HD2  PRO   8           HD2      PRO   8  -6.332  -1.898  -1.330
   83    HD3  PRO   8           HD1      PRO   8  -5.515  -2.401   0.169
   84    H    GLY   9           HN       GLY   9  -9.924  -5.998  -0.698
   85    HA2  GLY   9           HA2      GLY   9  -9.747  -6.180  -3.605
   86    HA3  GLY   9           HA1      GLY   9 -10.552  -7.325  -2.547
   87    H    ASP  10           HN       ASP  10 -12.473  -7.347  -3.686
   88    HA   ASP  10           HA       ASP  10 -13.797  -4.997  -4.583
   89    HB2  ASP  10           HB2      ASP  10 -14.211  -7.098  -5.701
   90    HB3  ASP  10           HB1      ASP  10 -14.813  -7.821  -4.213
   91    H    ASN  11           HN       ASN  11 -13.903  -6.817  -1.626
   92    HA   ASN  11           HA       ASN  11 -16.416  -5.651  -0.775
   93    HB2  ASN  11           HB2      ASN  11 -14.511  -7.549   0.599
   94    HB3  ASN  11           HB1      ASN  11 -16.032  -7.008   1.294
   95   HD21  ASN  11          HD21      ASN  11 -17.983  -7.765   0.410
   96   HD22  ASN  11          HD22      ASN  11 -18.027  -9.136  -0.642
   97    H    ALA  12           HN       ALA  12 -14.018  -3.941  -1.183
   98    HA   ALA  12           HA       ALA  12 -13.905  -2.783   1.518
   99    HB1  ALA  12           HB1      ALA  12 -11.749  -3.759   0.955
  100    HB2  ALA  12           HB2      ALA  12 -11.644  -2.001   1.043
  101    HB3  ALA  12           HB3      ALA  12 -11.696  -2.803  -0.526
  102    H    THR  13           HN       THR  13 -13.757  -0.489   1.622
  103    HA   THR  13           HA       THR  13 -15.313   0.774  -0.451
  104    HB   THR  13           HB       THR  13 -15.257   2.744   1.064
  105    HG1  THR  13           HG1      THR  13 -14.375   2.232   3.232
  106   HG21  THR  13          HG21      THR  13 -17.016   1.034   1.249
  107   HG22  THR  13          HG22      THR  13 -16.645   1.779   2.803
  108   HG23  THR  13          HG23      THR  13 -16.031   0.168   2.429
  109    HA   PRO  14           HA       PRO  14 -12.055   2.902  -2.673
  110    HB2  PRO  14           HB2      PRO  14 -13.767   5.320  -2.268
  111    HB3  PRO  14           HB1      PRO  14 -13.059   4.681  -3.767
  112    HG2  PRO  14           HG2      PRO  14 -15.616   4.359  -3.315
  113    HG3  PRO  14           HG1      PRO  14 -14.650   3.019  -3.973
  114    HD2  PRO  14           HD2      PRO  14 -15.645   3.417  -1.172
  115    HD3  PRO  14           HD1      PRO  14 -15.560   1.929  -2.135
  116    H    GLU  15           HN       GLU  15 -13.410   4.209   0.270
  117    HA   GLU  15           HA       GLU  15 -11.391   6.061   0.903
  118    HB2  GLU  15           HB2      GLU  15 -13.607   6.000   1.998
  119    HB3  GLU  15           HB1      GLU  15 -13.176   4.480   2.763
  120    HG2  GLU  15           HG2      GLU  15 -11.355   5.622   3.952
  121    HG3  GLU  15           HG1      GLU  15 -11.866   7.142   3.225
  122    H    LYS  16           HN       LYS  16 -11.713   2.589   1.458
  123    HA   LYS  16           HA       LYS  16  -9.395   2.464   3.133
  124    HB2  LYS  16           HB2      LYS  16 -11.301   0.831   3.242
  125    HB3  LYS  16           HB1      LYS  16 -10.763   0.184   1.695
  126    HG2  LYS  16           HG2      LYS  16  -9.976  -1.181   3.561
  127    HG3  LYS  16           HG1      LYS  16  -8.625  -0.447   2.693
  128    HD2  LYS  16           HD2      LYS  16  -8.434   1.279   4.396
  129    HD3  LYS  16           HD1      LYS  16  -9.830   0.623   5.247
  130    HE2  LYS  16           HE2      LYS  16  -7.749  -0.054   6.318
  131    HE3  LYS  16           HE1      LYS  16  -8.608  -1.448   5.669
  132    HZ1  LYS  16           HZ1      LYS  16  -6.236  -1.555   5.213
  133    HZ2  LYS  16           HZ2      LYS  16  -6.300  -0.093   4.373
  134    HZ3  LYS  16           HZ3      LYS  16  -7.116  -1.450   3.776
  135    H    LEU  17           HN       LEU  17 -10.090   2.181  -0.266
  136    HA   LEU  17           HA       LEU  17  -7.567   1.200  -1.072
  137    HB2  LEU  17           HB2      LEU  17  -9.773   2.660  -2.439
  138    HB3  LEU  17           HB1      LEU  17  -8.203   2.613  -3.220
  139    HG   LEU  17           HG       LEU  17  -9.601   0.862  -4.112
  140   HD11  LEU  17          HD11      LEU  17  -8.196  -1.090  -3.673
  141   HD12  LEU  17          HD12      LEU  17  -7.481  -0.262  -2.293
  142   HD13  LEU  17          HD13      LEU  17  -7.237   0.368  -3.922
  143   HD21  LEU  17          HD21      LEU  17 -11.138   0.585  -2.250
  144   HD22  LEU  17          HD22      LEU  17  -9.856  -0.139  -1.281
  145   HD23  LEU  17          HD23      LEU  17 -10.441  -0.964  -2.723
  146    H    ALA  18           HN       ALA  18  -8.789   4.417  -0.372
  147    HA   ALA  18           HA       ALA  18  -6.563   5.897  -1.219
  148    HB1  ALA  18           HB1      ALA  18  -7.389   7.649   0.248
  149    HB2  ALA  18           HB2      ALA  18  -8.438   6.488   1.063
  150    HB3  ALA  18           HB3      ALA  18  -8.722   6.898  -0.629
  151    H    ALA  19           HN       ALA  19  -7.295   4.246   1.798
  152    HA   ALA  19           HA       ALA  19  -4.999   4.977   3.234
  153    HB1  ALA  19           HB1      ALA  19  -6.962   3.884   4.240
  154    HB2  ALA  19           HB2      ALA  19  -5.456   3.057   4.631
  155    HB3  ALA  19           HB3      ALA  19  -6.534   2.392   3.404
  156    H    TYR  20           HN       TYR  20  -5.669   2.232   1.098
  157    HA   TYR  20           HA       TYR  20  -3.188   0.962   1.328
  158    HB2  TYR  20           HB2      TYR  20  -4.940  -0.273   0.319
  159    HB3  TYR  20           HB1      TYR  20  -5.253   0.991  -0.860
  160    HD1  TYR  20           HD1      TYR  20  -4.446   0.728  -2.997
  161    HD2  TYR  20           HD2      TYR  20  -2.509  -1.323   0.180
  162    HE1  TYR  20           HE1      TYR  20  -2.988  -0.397  -4.627
  163    HE2  TYR  20           HE2      TYR  20  -1.040  -2.459  -1.443
  164    HH   TYR  20           HH       TYR  20  -0.949  -1.533  -4.792
  165    H    GLU  21           HN       GLU  21  -4.320   3.406  -0.980
  166    HA   GLU  21           HA       GLU  21  -1.965   3.467  -2.512
  167    HB2  GLU  21           HB2      GLU  21  -4.047   5.611  -2.064
  168    HB3  GLU  21           HB1      GLU  21  -2.769   5.714  -3.264
  169    HG2  GLU  21           HG2      GLU  21  -3.662   3.657  -4.329
  170    HG3  GLU  21           HG1      GLU  21  -4.992   3.681  -3.168
  171    H    LYS  22           HN       LYS  22  -2.843   5.062   0.484
  172    HA   LYS  22           HA       LYS  22  -0.615   6.829   0.544
  173    HB2  LYS  22           HB2      LYS  22  -2.585   7.252   1.914
  174    HB3  LYS  22           HB1      LYS  22  -2.329   5.752   2.790
  175    HG2  LYS  22           HG2      LYS  22  -1.602   7.610   4.133
  176    HG3  LYS  22           HG1      LYS  22  -0.207   6.645   3.655
  177    HD2  LYS  22           HD2      LYS  22   0.316   9.002   3.452
  178    HD3  LYS  22           HD1      LYS  22   0.273   8.258   1.856
  179    HE2  LYS  22           HE2      LYS  22  -1.955   9.154   1.473
  180    HE3  LYS  22           HE1      LYS  22  -1.978   9.844   3.094
  181    HZ1  LYS  22           HZ1      LYS  22  -0.089  10.594   0.931
  182    HZ2  LYS  22           HZ2      LYS  22  -0.134  11.270   2.479
  183    HZ3  LYS  22           HZ3      LYS  22  -1.432  11.496   1.420
  184    H    GLU  23           HN       GLU  23  -1.260   3.621   1.904
  185    HA   GLU  23           HA       GLU  23   1.275   3.283   3.117
  186    HB2  GLU  23           HB2      GLU  23  -0.612   1.170   2.045
  187    HB3  GLU  23           HB1      GLU  23   0.731   0.877   3.140
  188    HG2  GLU  23           HG2      GLU  23  -0.395   2.307   4.822
  189    HG3  GLU  23           HG1      GLU  23  -1.773   2.446   3.722
  190    H    LEU  24           HN       LEU  24  -0.005   2.620  -0.062
  191    HA   LEU  24           HA       LEU  24   2.167   1.164  -1.106
  192    HB2  LEU  24           HB2      LEU  24  -0.132   1.316  -2.097
  193    HB3  LEU  24           HB1      LEU  24   0.254   2.946  -2.618
  194    HG   LEU  24           HG       LEU  24   2.097   2.042  -4.007
  195   HD11  LEU  24          HD11      LEU  24   2.232  -0.342  -4.429
  196   HD12  LEU  24          HD12      LEU  24   0.946  -0.641  -3.260
  197   HD13  LEU  24          HD13      LEU  24   2.498  -0.005  -2.718
  198   HD21  LEU  24          HD21      LEU  24   0.677   1.144  -5.751
  199   HD22  LEU  24          HD22      LEU  24  -0.132   2.486  -4.940
  200   HD23  LEU  24          HD23      LEU  24  -0.601   0.823  -4.580
  201    H    ALA  25           HN       ALA  25   1.411   4.601  -1.022
  202    HA   ALA  25           HA       ALA  25   3.526   5.506  -2.617
  203    HB1  ALA  25           HB1      ALA  25   1.602   6.883  -1.988
  204    HB2  ALA  25           HB2      ALA  25   3.129   7.676  -1.598
  205    HB3  ALA  25           HB3      ALA  25   2.179   6.911  -0.322
  206    H    ALA  26           HN       ALA  26   3.299   4.908   0.855
  207    HA   ALA  26           HA       ALA  26   5.909   5.757   1.513
  208    HB1  ALA  26           HB1      ALA  26   4.178   3.708   2.889
  209    HB2  ALA  26           HB2      ALA  26   4.162   5.443   3.193
  210    HB3  ALA  26           HB3      ALA  26   5.598   4.494   3.579
  211    H    TYR  27           HN       TYR  27   4.541   2.652   0.594
  212    HA   TYR  27           HA       TYR  27   6.862   1.103   0.897
  213    HB2  TYR  27           HB2      TYR  27   4.808  -0.054   0.726
  214    HB3  TYR  27           HB1      TYR  27   4.378   0.769  -0.772
  215    HD1  TYR  27           HD1      TYR  27   6.730  -1.701   0.678
  216    HD2  TYR  27           HD2      TYR  27   4.934  -0.159  -2.845
  217    HE1  TYR  27           HE1      TYR  27   7.682  -3.571  -0.614
  218    HE2  TYR  27           HE2      TYR  27   5.866  -2.023  -4.152
  219    HH   TYR  27           HH       TYR  27   7.668  -3.639  -4.042
  220    H    GLU  28           HN       GLU  28   5.502   2.728  -1.969
  221    HA   GLU  28           HA       GLU  28   7.492   1.872  -3.759
  222    HB2  GLU  28           HB2      GLU  28   5.742   4.336  -3.818
  223    HB3  GLU  28           HB1      GLU  28   6.811   3.874  -5.132
  224    HG2  GLU  28           HG2      GLU  28   5.575   1.731  -5.320
  225    HG3  GLU  28           HG1      GLU  28   4.437   2.323  -4.102
  226    H    LYS  29           HN       LYS  29   7.369   4.558  -1.509
  227    HA   LYS  29           HA       LYS  29   9.636   5.921  -2.514
  228    HB2  LYS  29           HB2      LYS  29   7.936   6.935  -0.983
  229    HB3  LYS  29           HB1      LYS  29   8.597   5.958   0.323
  230    HG2  LYS  29           HG2      LYS  29  10.714   7.067   0.166
  231    HG3  LYS  29           HG1      LYS  29  10.200   7.947  -1.273
  232    HD2  LYS  29           HD2      LYS  29   8.437   9.048   0.091
  233    HD3  LYS  29           HD1      LYS  29   9.087   8.237   1.520
  234    HE2  LYS  29           HE2      LYS  29  11.213   9.357   1.225
  235    HE3  LYS  29           HE1      LYS  29  10.644  10.101  -0.268
  236    HZ1  LYS  29           HZ1      LYS  29  10.503  11.668   1.521
  237    HZ2  LYS  29           HZ2      LYS  29   9.597  10.596   2.462
  238    HZ3  LYS  29           HZ3      LYS  29   8.932  11.247   1.051
  239    H    GLU  30           HN       GLU  30   9.213   3.623   0.166
  240    HA   GLU  30           HA       GLU  30  11.955   3.439   0.818
  241    HB2  GLU  30           HB2      GLU  30   9.785   1.360   1.184
  242    HB3  GLU  30           HB1      GLU  30  11.346   1.363   1.982
  243    HG2  GLU  30           HG2      GLU  30  10.769   3.426   3.136
  244    HG3  GLU  30           HG1      GLU  30   9.207   3.449   2.315
  245    H    LEU  31           HN       LEU  31   9.921   1.809  -1.498
  246    HA   LEU  31           HA       LEU  31  11.701  -0.227  -2.291
  247    HB2  LEU  31           HB2      LEU  31   9.242  -0.069  -2.836
  248    HB3  LEU  31           HB1      LEU  31   9.647   1.159  -4.019
  249    HG   LEU  31           HG       LEU  31  11.082  -0.527  -5.177
  250   HD11  LEU  31          HD11      LEU  31  11.448  -2.012  -3.281
  251   HD12  LEU  31          HD12      LEU  31  10.741  -2.879  -4.645
  252   HD13  LEU  31          HD13      LEU  31   9.734  -2.427  -3.269
  253   HD21  LEU  31          HD21      LEU  31   8.157  -1.175  -4.852
  254   HD22  LEU  31          HD22      LEU  31   9.184  -1.712  -6.180
  255   HD23  LEU  31          HD23      LEU  31   8.848   0.005  -5.965
  256    H    ALA  32           HN       ALA  32  11.257   3.093  -3.379
  257    HA   ALA  32           HA       ALA  32  13.060   3.038  -5.532
  258    HB1  ALA  32           HB1      ALA  32  13.058   5.463  -5.360
  259    HB2  ALA  32           HB2      ALA  32  12.304   5.356  -3.768
  260    HB3  ALA  32           HB3      ALA  32  11.424   4.818  -5.198
  261    H    ALA  33           HN       ALA  33  13.520   3.284  -2.105
  262    HA   ALA  33           HA       ALA  33  16.296   4.078  -2.344
  263    HB1  ALA  33           HB1      ALA  33  14.702   3.308   0.090
  264    HB2  ALA  33           HB2      ALA  33  14.892   4.946  -0.528
  265    HB3  ALA  33           HB3      ALA  33  16.294   4.067   0.078
  266    H    TYR  34           HN       TYR  34  14.613   1.242  -2.649
  267    HA   TYR  34           HA       TYR  34  16.771  -0.416  -1.569
  268    HB2  TYR  34           HB2      TYR  34  14.419  -0.965  -0.943
  269    HB3  TYR  34           HB1      TYR  34  14.066  -1.254  -2.643
  270    HD1  TYR  34           HD1      TYR  34  16.461  -2.340  -0.006
  271    HD2  TYR  34           HD2      TYR  34  14.195  -3.424  -3.432
  272    HE1  TYR  34           HE1      TYR  34  17.197  -4.672   0.255
  273    HE2  TYR  34           HE2      TYR  34  14.924  -5.761  -3.186
  274    HH   TYR  34           HH       TYR  34  16.528  -6.902  -0.380
  275    HN1  NH2  35           HN1      NH2  35  15.224   0.566  -4.510
  276    HN2  NH2  35           HN2      NH2  35  16.259  -0.289  -5.597
  Start of MODEL   12
    1    H1   ACE   0           HA1      ACE   0  15.597  -1.824   3.545
    2    H2   ACE   0           HA2      ACE   0  14.182  -2.115   2.537
    3    H3   ACE   0           HA3      ACE   0  15.660  -3.021   2.219
    4    HA   PRO   1           HA       PRO   1  13.400  -4.608   1.502
    5    HB2  PRO   1           HB2      PRO   1  11.963  -6.814   2.520
    6    HB3  PRO   1           HB1      PRO   1  13.337  -6.889   1.402
    7    HG2  PRO   1           HG2      PRO   1  13.267  -7.286   4.333
    8    HG3  PRO   1           HG1      PRO   1  14.296  -8.046   3.104
    9    HD2  PRO   1           HD2      PRO   1  15.264  -6.148   4.736
   10    HD3  PRO   1           HD1      PRO   1  15.777  -6.256   3.037
   11    HA   PRO   2           HA       PRO   2  10.102  -2.418   3.613
   12    HB2  PRO   2           HB2      PRO   2   9.043  -1.624   1.078
   13    HB3  PRO   2           HB1      PRO   2   9.981  -0.650   2.214
   14    HG2  PRO   2           HG2      PRO   2  10.812  -1.511  -0.289
   15    HG3  PRO   2           HG1      PRO   2  11.828  -0.825   0.988
   16    HD2  PRO   2           HD2      PRO   2  11.552  -3.631   0.126
   17    HD3  PRO   2           HD1      PRO   2  12.891  -2.823   0.966
   18    H    LYS   3           HN       LYS   3   7.997  -2.868   4.032
   19    HA   LYS   3           HA       LYS   3   7.025  -5.380   2.931
   20    HB2  LYS   3           HB2      LYS   3   5.947  -3.682   5.190
   21    HB3  LYS   3           HB1      LYS   3   5.391  -5.295   4.767
   22    HG2  LYS   3           HG2      LYS   3   7.570  -6.211   5.338
   23    HG3  LYS   3           HG1      LYS   3   8.158  -4.593   5.724
   24    HD2  LYS   3           HD2      LYS   3   6.397  -4.421   7.462
   25    HD3  LYS   3           HD1      LYS   3   5.942  -6.091   7.119
   26    HE2  LYS   3           HE2      LYS   3   8.651  -5.167   8.064
   27    HE3  LYS   3           HE1      LYS   3   7.413  -5.905   9.078
   28    HZ1  LYS   3           HZ1      LYS   3   7.549  -7.896   7.670
   29    HZ2  LYS   3           HZ2      LYS   3   9.019  -7.545   8.428
   30    HZ3  LYS   3           HZ3      LYS   3   8.809  -7.184   6.791
   31    H    LYS   4           HN       LYS   4   5.555  -5.455   1.360
   32    HA   LYS   4           HA       LYS   4   4.202  -3.022   0.558
   33    HB2  LYS   4           HB2      LYS   4   5.199  -4.569  -1.134
   34    HB3  LYS   4           HB1      LYS   4   4.031  -5.798  -0.648
   35    HG2  LYS   4           HG2      LYS   4   2.203  -4.294  -1.340
   36    HG3  LYS   4           HG1      LYS   4   3.401  -3.124  -1.893
   37    HD2  LYS   4           HD2      LYS   4   2.615  -4.389  -3.779
   38    HD3  LYS   4           HD1      LYS   4   4.288  -4.838  -3.448
   39    HE2  LYS   4           HE2      LYS   4   3.551  -6.864  -2.325
   40    HE3  LYS   4           HE1      LYS   4   1.865  -6.391  -2.535
   41    HZ1  LYS   4           HZ1      LYS   4   3.789  -7.041  -4.701
   42    HZ2  LYS   4           HZ2      LYS   4   2.204  -6.508  -4.946
   43    HZ3  LYS   4           HZ3      LYS   4   2.487  -7.995  -4.194
   44    HA   PRO   5           HA       PRO   5   0.544  -4.298   2.790
   45    HB2  PRO   5           HB2      PRO   5  -0.936  -2.108   1.705
   46    HB3  PRO   5           HB1      PRO   5  -0.192  -2.221   3.309
   47    HG2  PRO   5           HG2      PRO   5   0.590  -0.497   1.297
   48    HG3  PRO   5           HG1      PRO   5   1.558  -0.954   2.710
   49    HD2  PRO   5           HD2      PRO   5   1.738  -1.925  -0.092
   50    HD3  PRO   5           HD1      PRO   5   3.019  -1.717   1.124
   51    H    LYS   6           HN       LYS   6  -1.513  -5.149   2.325
   52    HA   LYS   6           HA       LYS   6  -1.767  -6.278  -0.281
   53    HB2  LYS   6           HB2      LYS   6  -3.614  -6.270   2.105
   54    HB3  LYS   6           HB1      LYS   6  -3.950  -7.144   0.619
   55    HG2  LYS   6           HG2      LYS   6  -1.989  -8.517   0.943
   56    HG3  LYS   6           HG1      LYS   6  -1.551  -7.591   2.381
   57    HD2  LYS   6           HD2      LYS   6  -2.675  -9.748   2.891
   58    HD3  LYS   6           HD1      LYS   6  -3.518  -8.339   3.532
   59    HE2  LYS   6           HE2      LYS   6  -5.063  -8.404   1.636
   60    HE3  LYS   6           HE1      LYS   6  -4.220  -9.809   0.992
   61    HZ1  LYS   6           HZ1      LYS   6  -5.615  -9.712   3.611
   62    HZ2  LYS   6           HZ2      LYS   6  -4.878 -11.068   2.920
   63    HZ3  LYS   6           HZ3      LYS   6  -6.248 -10.391   2.199
   64    H    LYS   7           HN       LYS   7  -2.874  -5.572  -1.977
   65    HA   LYS   7           HA       LYS   7  -4.170  -3.019  -1.932
   66    HB2  LYS   7           HB2      LYS   7  -2.926  -3.837  -3.918
   67    HB3  LYS   7           HB1      LYS   7  -4.100  -5.132  -4.106
   68    HG2  LYS   7           HG2      LYS   7  -5.862  -3.473  -4.510
   69    HG3  LYS   7           HG1      LYS   7  -4.660  -2.178  -4.363
   70    HD2  LYS   7           HD2      LYS   7  -3.453  -3.022  -6.274
   71    HD3  LYS   7           HD1      LYS   7  -4.519  -4.423  -6.376
   72    HE2  LYS   7           HE2      LYS   7  -5.186  -2.843  -8.052
   73    HE3  LYS   7           HE1      LYS   7  -6.419  -2.872  -6.797
   74    HZ1  LYS   7           HZ1      LYS   7  -5.948  -0.621  -7.455
   75    HZ2  LYS   7           HZ2      LYS   7  -4.303  -0.817  -7.127
   76    HZ3  LYS   7           HZ3      LYS   7  -5.424  -0.851  -5.866
   77    HA   PRO   8           HA       PRO   8  -8.016  -4.804  -0.440
   78    HB2  PRO   8           HB2      PRO   8  -9.024  -2.069  -0.897
   79    HB3  PRO   8           HB1      PRO   8  -8.971  -3.013   0.600
   80    HG2  PRO   8           HG2      PRO   8  -7.371  -0.918   0.200
   81    HG3  PRO   8           HG1      PRO   8  -6.864  -2.345   1.125
   82    HD2  PRO   8           HD2      PRO   8  -6.156  -1.561  -1.662
   83    HD3  PRO   8           HD1      PRO   8  -5.161  -2.335  -0.405
   84    H    GLY   9           HN       GLY   9  -9.189  -5.988  -1.787
   85    HA2  GLY   9           HA2      GLY   9 -10.402  -4.660  -4.114
   86    HA3  GLY   9           HA1      GLY   9  -9.615  -6.220  -4.295
   87    H    ASP  10           HN       ASP  10 -10.435  -7.531  -2.051
   88    HA   ASP  10           HA       ASP  10 -13.237  -8.005  -2.685
   89    HB2  ASP  10           HB2      ASP  10 -11.754  -9.945  -2.564
   90    HB3  ASP  10           HB1      ASP  10 -11.317  -9.530  -0.910
   91    H    ASN  11           HN       ASN  11 -14.609  -6.700  -1.695
   92    HA   ASN  11           HA       ASN  11 -15.802  -5.653  -0.065
   93    HB2  ASN  11           HB2      ASN  11 -15.807  -7.812   1.085
   94    HB3  ASN  11           HB1      ASN  11 -14.244  -7.449   1.806
   95   HD21  ASN  11          HD21      ASN  11 -15.099  -7.702   3.874
   96   HD22  ASN  11          HD22      ASN  11 -16.120  -6.506   4.594
   97    H    ALA  12           HN       ALA  12 -14.642  -3.755  -0.728
   98    HA   ALA  12           HA       ALA  12 -13.281  -2.515   1.498
   99    HB1  ALA  12           HB1      ALA  12 -11.340  -1.823   0.225
  100    HB2  ALA  12           HB2      ALA  12 -11.930  -2.703  -1.186
  101    HB3  ALA  12           HB3      ALA  12 -11.450  -3.583   0.263
  102    H    THR  13           HN       THR  13 -13.474  -0.322   1.514
  103    HA   THR  13           HA       THR  13 -15.323   0.841  -0.401
  104    HB   THR  13           HB       THR  13 -15.337   2.764   1.170
  105    HG1  THR  13           HG1      THR  13 -14.231   2.477   3.184
  106   HG21  THR  13          HG21      THR  13 -16.928   0.914   1.436
  107   HG22  THR  13          HG22      THR  13 -16.498   1.638   2.986
  108   HG23  THR  13          HG23      THR  13 -15.787   0.098   2.505
  109    HA   PRO  14           HA       PRO  14 -12.319   3.187  -2.736
  110    HB2  PRO  14           HB2      PRO  14 -14.013   5.576  -2.153
  111    HB3  PRO  14           HB1      PRO  14 -13.440   4.957  -3.716
  112    HG2  PRO  14           HG2      PRO  14 -15.947   4.625  -3.035
  113    HG3  PRO  14           HG1      PRO  14 -15.044   3.304  -3.808
  114    HD2  PRO  14           HD2      PRO  14 -15.768   3.641  -0.917
  115    HD3  PRO  14           HD1      PRO  14 -15.787   2.174  -1.917
  116    H    GLU  15           HN       GLU  15 -13.504   4.487   0.307
  117    HA   GLU  15           HA       GLU  15 -11.417   6.329   0.766
  118    HB2  GLU  15           HB2      GLU  15 -13.162   4.870   2.761
  119    HB3  GLU  15           HB1      GLU  15 -12.148   6.252   3.132
  120    HG2  GLU  15           HG2      GLU  15 -14.363   7.051   2.932
  121    HG3  GLU  15           HG1      GLU  15 -13.512   7.570   1.482
  122    H    LYS  16           HN       LYS  16 -11.777   2.899   1.344
  123    HA   LYS  16           HA       LYS  16  -9.488   2.630   3.017
  124    HB2  LYS  16           HB2      LYS  16 -11.370   1.019   3.014
  125    HB3  LYS  16           HB1      LYS  16 -10.931   0.535   1.379
  126    HG2  LYS  16           HG2      LYS  16 -10.106  -1.089   2.949
  127    HG3  LYS  16           HG1      LYS  16  -8.741  -0.226   2.237
  128    HD2  LYS  16           HD2      LYS  16  -8.556   1.168   4.214
  129    HD3  LYS  16           HD1      LYS  16  -9.975   0.392   4.919
  130    HE2  LYS  16           HE2      LYS  16  -7.394  -1.002   4.221
  131    HE3  LYS  16           HE1      LYS  16  -7.854  -0.469   5.837
  132    HZ1  LYS  16           HZ1      LYS  16  -9.788  -1.946   5.700
  133    HZ2  LYS  16           HZ2      LYS  16  -8.335  -2.796   5.568
  134    HZ3  LYS  16           HZ3      LYS  16  -9.264  -2.498   4.190
  135    H    LEU  17           HN       LEU  17 -10.114   2.452  -0.421
  136    HA   LEU  17           HA       LEU  17  -7.581   1.476  -1.192
  137    HB2  LEU  17           HB2      LEU  17  -9.779   2.918  -2.584
  138    HB3  LEU  17           HB1      LEU  17  -8.199   2.895  -3.348
  139    HG   LEU  17           HG       LEU  17  -9.546   1.130  -4.268
  140   HD11  LEU  17          HD11      LEU  17  -8.147  -0.811  -3.798
  141   HD12  LEU  17          HD12      LEU  17  -7.489  -0.000  -2.380
  142   HD13  LEU  17          HD13      LEU  17  -7.181   0.650  -3.989
  143   HD21  LEU  17          HD21      LEU  17 -10.448  -0.682  -2.920
  144   HD22  LEU  17          HD22      LEU  17 -11.129   0.867  -2.429
  145   HD23  LEU  17          HD23      LEU  17  -9.873   0.106  -1.454
  146    H    ALA  18           HN       ALA  18  -8.823   4.710  -0.576
  147    HA   ALA  18           HA       ALA  18  -6.594   6.180  -1.407
  148    HB1  ALA  18           HB1      ALA  18  -8.755   7.188  -0.861
  149    HB2  ALA  18           HB2      ALA  18  -7.442   7.947   0.039
  150    HB3  ALA  18           HB3      ALA  18  -8.507   6.790   0.840
  151    H    ALA  19           HN       ALA  19  -7.378   4.651   1.668
  152    HA   ALA  19           HA       ALA  19  -5.112   5.443   3.109
  153    HB1  ALA  19           HB1      ALA  19  -5.610   3.574   4.582
  154    HB2  ALA  19           HB2      ALA  19  -6.701   2.901   3.370
  155    HB3  ALA  19           HB3      ALA  19  -7.084   4.438   4.145
  156    H    TYR  20           HN       TYR  20  -5.734   2.592   1.092
  157    HA   TYR  20           HA       TYR  20  -3.229   1.374   1.433
  158    HB2  TYR  20           HB2      TYR  20  -4.949   0.059   0.448
  159    HB3  TYR  20           HB1      TYR  20  -5.219   1.243  -0.825
  160    HD1  TYR  20           HD1      TYR  20  -4.198   0.959  -2.892
  161    HD2  TYR  20           HD2      TYR  20  -2.588  -1.062   0.485
  162    HE1  TYR  20           HE1      TYR  20  -2.631  -0.237  -4.363
  163    HE2  TYR  20           HE2      TYR  20  -1.019  -2.268  -0.983
  164    HH   TYR  20           HH       TYR  20  -0.509  -1.394  -4.244
  165    H    GLU  21           HN       GLU  21  -4.374   3.706  -0.975
  166    HA   GLU  21           HA       GLU  21  -2.035   3.759  -2.520
  167    HB2  GLU  21           HB2      GLU  21  -4.102   5.911  -2.051
  168    HB3  GLU  21           HB1      GLU  21  -2.836   6.019  -3.262
  169    HG2  GLU  21           HG2      GLU  21  -3.760   3.950  -4.313
  170    HG3  GLU  21           HG1      GLU  21  -5.095   4.030  -3.161
  171    H    LYS  22           HN       LYS  22  -2.848   5.311   0.493
  172    HA   LYS  22           HA       LYS  22  -0.602   7.080   0.493
  173    HB2  LYS  22           HB2      LYS  22  -2.644   7.527   1.804
  174    HB3  LYS  22           HB1      LYS  22  -2.297   6.126   2.805
  175    HG2  LYS  22           HG2      LYS  22  -1.647   8.158   3.936
  176    HG3  LYS  22           HG1      LYS  22  -0.224   7.187   3.560
  177    HD2  LYS  22           HD2      LYS  22   0.211   9.530   3.099
  178    HD3  LYS  22           HD1      LYS  22   0.206   8.606   1.598
  179    HE2  LYS  22           HE2      LYS  22  -0.975  10.713   1.315
  180    HE3  LYS  22           HE1      LYS  22  -2.079   9.352   1.146
  181    HZ1  LYS  22           HZ1      LYS  22  -2.971  11.195   2.492
  182    HZ2  LYS  22           HZ2      LYS  22  -1.753  10.933   3.637
  183    HZ3  LYS  22           HZ3      LYS  22  -2.910   9.734   3.338
  184    H    GLU  23           HN       GLU  23  -1.336   3.920   1.886
  185    HA   GLU  23           HA       GLU  23   1.147   3.530   3.187
  186    HB2  GLU  23           HB2      GLU  23  -0.785   1.490   2.060
  187    HB3  GLU  23           HB1      GLU  23   0.543   1.124   3.150
  188    HG2  GLU  23           HG2      GLU  23  -1.852   2.841   3.782
  189    HG3  GLU  23           HG1      GLU  23  -1.575   1.182   4.327
  190    H    LEU  24           HN       LEU  24  -0.047   2.898  -0.030
  191    HA   LEU  24           HA       LEU  24   2.148   1.435  -1.019
  192    HB2  LEU  24           HB2      LEU  24  -0.126   1.615  -2.076
  193    HB3  LEU  24           HB1      LEU  24   0.292   3.243  -2.575
  194    HG   LEU  24           HG       LEU  24   2.166   2.336  -3.913
  195   HD11  LEU  24          HD11      LEU  24   2.298  -0.045  -4.353
  196   HD12  LEU  24          HD12      LEU  24   0.983  -0.349  -3.218
  197   HD13  LEU  24          HD13      LEU  24   2.525   0.275  -2.633
  198   HD21  LEU  24          HD21      LEU  24  -0.535   1.163  -4.549
  199   HD22  LEU  24          HD22      LEU  24   0.781   1.430  -5.692
  200   HD23  LEU  24          HD23      LEU  24  -0.009   2.805  -4.920
  201    H    ALA  25           HN       ALA  25   1.398   4.878  -0.925
  202    HA   ALA  25           HA       ALA  25   3.594   5.819  -2.371
  203    HB1  ALA  25           HB1      ALA  25   3.195   7.943  -1.266
  204    HB2  ALA  25           HB2      ALA  25   2.199   7.139  -0.052
  205    HB3  ALA  25           HB3      ALA  25   1.666   7.198  -1.732
  206    H    ALA  26           HN       ALA  26   3.208   5.021   1.038
  207    HA   ALA  26           HA       ALA  26   5.782   5.826   1.879
  208    HB1  ALA  26           HB1      ALA  26   3.976   3.716   3.052
  209    HB2  ALA  26           HB2      ALA  26   3.932   5.435   3.437
  210    HB3  ALA  26           HB3      ALA  26   5.348   4.473   3.860
  211    H    TYR  27           HN       TYR  27   4.453   2.773   0.746
  212    HA   TYR  27           HA       TYR  27   6.776   1.226   1.100
  213    HB2  TYR  27           HB2      TYR  27   4.704   0.082   0.849
  214    HB3  TYR  27           HB1      TYR  27   4.363   0.893  -0.680
  215    HD1  TYR  27           HD1      TYR  27   6.700  -1.497   0.923
  216    HD2  TYR  27           HD2      TYR  27   4.981  -0.094  -2.692
  217    HE1  TYR  27           HE1      TYR  27   7.755  -3.361  -0.291
  218    HE2  TYR  27           HE2      TYR  27   6.014  -1.955  -3.924
  219    HH   TYR  27           HH       TYR  27   7.441  -4.629  -2.336
  220    H    GLU  28           HN       GLU  28   5.475   2.837  -1.811
  221    HA   GLU  28           HA       GLU  28   7.569   1.976  -3.492
  222    HB2  GLU  28           HB2      GLU  28   5.692   4.325  -3.764
  223    HB3  GLU  28           HB1      GLU  28   6.812   3.814  -5.019
  224    HG2  GLU  28           HG2      GLU  28   5.693   1.589  -5.031
  225    HG3  GLU  28           HG1      GLU  28   4.495   2.234  -3.903
  226    H    LYS  29           HN       LYS  29   7.343   4.558  -1.212
  227    HA   LYS  29           HA       LYS  29   9.487   6.147  -2.145
  228    HB2  LYS  29           HB2      LYS  29   7.811   6.810  -0.374
  229    HB3  LYS  29           HB1      LYS  29   8.649   5.736   0.732
  230    HG2  LYS  29           HG2      LYS  29   9.363   8.001   1.109
  231    HG3  LYS  29           HG1      LYS  29  10.698   7.060   0.447
  232    HD2  LYS  29           HD2      LYS  29  10.292   8.008  -1.768
  233    HD3  LYS  29           HD1      LYS  29   8.917   8.918  -1.140
  234    HE2  LYS  29           HE2      LYS  29  10.834  10.372  -1.310
  235    HE3  LYS  29           HE1      LYS  29  10.442  10.111   0.388
  236    HZ1  LYS  29           HZ1      LYS  29  12.811   9.976   0.021
  237    HZ2  LYS  29           HZ2      LYS  29  12.605   8.755  -1.128
  238    HZ3  LYS  29           HZ3      LYS  29  12.220   8.464   0.490
  239    H    GLU  30           HN       GLU  30   9.326   3.599   0.328
  240    HA   GLU  30           HA       GLU  30  12.136   3.435   0.700
  241    HB2  GLU  30           HB2      GLU  30   9.958   1.429   1.329
  242    HB3  GLU  30           HB1      GLU  30  11.626   1.298   1.865
  243    HG2  GLU  30           HG2      GLU  30  11.384   3.383   3.122
  244    HG3  GLU  30           HG1      GLU  30   9.707   3.494   2.591
  245    H    LEU  31           HN       LEU  31   9.874   1.879  -1.453
  246    HA   LEU  31           HA       LEU  31  11.501  -0.226  -2.357
  247    HB2  LEU  31           HB2      LEU  31   9.050  -0.009  -2.788
  248    HB3  LEU  31           HB1      LEU  31   9.406   1.266  -3.941
  249    HG   LEU  31           HG       LEU  31  10.713  -0.362  -5.283
  250   HD11  LEU  31          HD11      LEU  31   9.584  -2.357  -3.330
  251   HD12  LEU  31          HD12      LEU  31  11.282  -1.906  -3.488
  252   HD13  LEU  31          HD13      LEU  31  10.464  -2.742  -4.809
  253   HD21  LEU  31          HD21      LEU  31   8.761  -1.561  -6.159
  254   HD22  LEU  31          HD22      LEU  31   8.402   0.138  -5.845
  255   HD23  LEU  31          HD23      LEU  31   7.846  -1.103  -4.722
  256    H    ALA  32           HN       ALA  32  11.126   3.093  -3.487
  257    HA   ALA  32           HA       ALA  32  12.813   2.934  -5.717
  258    HB1  ALA  32           HB1      ALA  32  12.234   5.299  -3.951
  259    HB2  ALA  32           HB2      ALA  32  11.286   4.785  -5.344
  260    HB3  ALA  32           HB3      ALA  32  12.935   5.367  -5.567
  261    H    ALA  33           HN       ALA  33  13.478   3.492  -2.312
  262    HA   ALA  33           HA       ALA  33  16.253   4.106  -2.743
  263    HB1  ALA  33           HB1      ALA  33  16.397   4.146  -0.312
  264    HB2  ALA  33           HB2      ALA  33  14.772   3.469  -0.200
  265    HB3  ALA  33           HB3      ALA  33  15.011   5.077  -0.879
  266    H    TYR  34           HN       TYR  34  14.379   1.276  -2.405
  267    HA   TYR  34           HA       TYR  34  16.364  -0.443  -1.298
  268    HB2  TYR  34           HB2      TYR  34  13.969  -0.959  -1.150
  269    HB3  TYR  34           HB1      TYR  34  13.870  -1.069  -2.904
  270    HD1  TYR  34           HD1      TYR  34  14.056  -3.140  -3.909
  271    HD2  TYR  34           HD2      TYR  34  15.665  -2.589  -0.014
  272    HE1  TYR  34           HE1      TYR  34  14.554  -5.544  -3.783
  273    HE2  TYR  34           HE2      TYR  34  16.172  -4.996   0.120
  274    HH   TYR  34           HH       TYR  34  16.048  -7.054  -2.590
  275    HN1  NH2  35           HN1      NH2  35  18.122  -1.112  -2.278
  276    HN2  NH2  35           HN2      NH2  35  18.343  -1.322  -3.978
  Start of MODEL   13
    1    H1   ACE   0           HA1      ACE   0  16.066  -2.100   3.747
    2    H2   ACE   0           HA2      ACE   0  14.682  -2.201   2.663
    3    H3   ACE   0           HA3      ACE   0  16.047  -3.284   2.409
    4    HA   PRO   1           HA       PRO   1  13.500  -4.517   1.690
    5    HB2  PRO   1           HB2      PRO   1  12.559  -7.091   2.834
    6    HB3  PRO   1           HB1      PRO   1  13.161  -6.750   1.203
    7    HG2  PRO   1           HG2      PRO   1  14.601  -8.140   2.947
    8    HG3  PRO   1           HG1      PRO   1  15.354  -7.012   1.802
    9    HD2  PRO   1           HD2      PRO   1  14.826  -6.655   4.722
   10    HD3  PRO   1           HD1      PRO   1  16.216  -6.120   3.756
   11    HA   PRO   2           HA       PRO   2  10.059  -3.184   4.286
   12    HB2  PRO   2           HB2      PRO   2   8.925  -1.572   2.397
   13    HB3  PRO   2           HB1      PRO   2  10.281  -1.064   3.420
   14    HG2  PRO   2           HG2      PRO   2  10.252  -1.809   0.579
   15    HG3  PRO   2           HG1      PRO   2  11.354  -0.743   1.464
   16    HD2  PRO   2           HD2      PRO   2  11.871  -3.387   0.669
   17    HD3  PRO   2           HD1      PRO   2  12.839  -2.417   1.792
   18    H    LYS   3           HN       LYS   3   7.928  -3.814   4.387
   19    HA   LYS   3           HA       LYS   3   7.136  -5.809   2.408
   20    HB2  LYS   3           HB2      LYS   3   7.056  -6.420   4.799
   21    HB3  LYS   3           HB1      LYS   3   5.918  -5.116   5.090
   22    HG2  LYS   3           HG2      LYS   3   4.269  -6.199   3.684
   23    HG3  LYS   3           HG1      LYS   3   5.415  -7.481   3.297
   24    HD2  LYS   3           HD2      LYS   3   4.119  -8.447   4.959
   25    HD3  LYS   3           HD1      LYS   3   5.509  -7.848   5.858
   26    HE2  LYS   3           HE2      LYS   3   2.908  -6.350   5.582
   27    HE3  LYS   3           HE1      LYS   3   3.285  -7.419   6.928
   28    HZ1  LYS   3           HZ1      LYS   3   4.671  -4.903   6.198
   29    HZ2  LYS   3           HZ2      LYS   3   5.243  -5.977   7.368
   30    HZ3  LYS   3           HZ3      LYS   3   3.757  -5.205   7.586
   31    H    LYS   4           HN       LYS   4   5.290  -5.625   1.154
   32    HA   LYS   4           HA       LYS   4   4.219  -2.929   0.944
   33    HB2  LYS   4           HB2      LYS   4   4.931  -4.204  -1.096
   34    HB3  LYS   4           HB1      LYS   4   3.632  -5.352  -0.777
   35    HG2  LYS   4           HG2      LYS   4   2.016  -3.445  -0.957
   36    HG3  LYS   4           HG1      LYS   4   3.363  -2.438  -1.491
   37    HD2  LYS   4           HD2      LYS   4   2.269  -3.190  -3.451
   38    HD3  LYS   4           HD1      LYS   4   3.752  -4.135  -3.317
   39    HE2  LYS   4           HE2      LYS   4   1.948  -5.607  -3.930
   40    HE3  LYS   4           HE1      LYS   4   2.427  -5.965  -2.272
   41    HZ1  LYS   4           HZ1      LYS   4   0.093  -4.303  -3.071
   42    HZ2  LYS   4           HZ2      LYS   4   0.546  -4.670  -1.480
   43    HZ3  LYS   4           HZ3      LYS   4   0.023  -5.901  -2.515
   44    HA   PRO   5           HA       PRO   5   0.496  -4.062   3.230
   45    HB2  PRO   5           HB2      PRO   5  -0.992  -1.948   2.198
   46    HB3  PRO   5           HB1      PRO   5  -0.004  -1.876   3.668
   47    HG2  PRO   5           HG2      PRO   5   0.615  -0.915   0.934
   48    HG3  PRO   5           HG1      PRO   5   1.058  -0.228   2.507
   49    HD2  PRO   5           HD2      PRO   5   2.830  -1.580   0.998
   50    HD3  PRO   5           HD1      PRO   5   2.858  -1.633   2.775
   51    H    LYS   6           HN       LYS   6  -1.599  -4.819   2.636
   52    HA   LYS   6           HA       LYS   6  -1.577  -5.939  -0.040
   53    HB2  LYS   6           HB2      LYS   6  -3.343  -6.466   2.349
   54    HB3  LYS   6           HB1      LYS   6  -3.448  -7.334   0.821
   55    HG2  LYS   6           HG2      LYS   6  -1.213  -8.186   1.101
   56    HG3  LYS   6           HG1      LYS   6  -0.999  -7.228   2.563
   57    HD2  LYS   6           HD2      LYS   6  -2.794  -8.487   3.647
   58    HD3  LYS   6           HD1      LYS   6  -2.997  -9.453   2.183
   59    HE2  LYS   6           HE2      LYS   6  -1.661 -10.663   3.805
   60    HE3  LYS   6           HE1      LYS   6  -0.682 -10.242   2.403
   61    HZ1  LYS   6           HZ1      LYS   6  -0.698  -8.799   4.996
   62    HZ2  LYS   6           HZ2      LYS   6   0.236  -8.383   3.651
   63    HZ3  LYS   6           HZ3      LYS   6   0.514  -9.844   4.456
   64    H    LYS   7           HN       LYS   7  -2.940  -5.490  -1.629
   65    HA   LYS   7           HA       LYS   7  -4.462  -3.072  -1.529
   66    HB2  LYS   7           HB2      LYS   7  -3.269  -3.721  -3.573
   67    HB3  LYS   7           HB1      LYS   7  -4.218  -5.196  -3.678
   68    HG2  LYS   7           HG2      LYS   7  -6.262  -3.790  -3.949
   69    HG3  LYS   7           HG1      LYS   7  -5.203  -2.371  -4.038
   70    HD2  LYS   7           HD2      LYS   7  -4.111  -3.249  -6.001
   71    HD3  LYS   7           HD1      LYS   7  -5.001  -4.768  -5.867
   72    HE2  LYS   7           HE2      LYS   7  -6.023  -3.442  -7.585
   73    HE3  LYS   7           HE1      LYS   7  -7.111  -3.486  -6.200
   74    HZ1  LYS   7           HZ1      LYS   7  -6.983  -1.274  -7.086
   75    HZ2  LYS   7           HZ2      LYS   7  -5.301  -1.256  -6.944
   76    HZ3  LYS   7           HZ3      LYS   7  -6.264  -1.292  -5.556
   77    HA   PRO   8           HA       PRO   8  -8.238  -5.078  -0.076
   78    HB2  PRO   8           HB2      PRO   8  -9.339  -2.402  -0.662
   79    HB3  PRO   8           HB1      PRO   8  -9.357  -3.317   0.853
   80    HG2  PRO   8           HG2      PRO   8  -7.821  -1.162   0.528
   81    HG3  PRO   8           HG1      PRO   8  -7.321  -2.549   1.512
   82    HD2  PRO   8           HD2      PRO   8  -6.439  -1.763  -1.220
   83    HD3  PRO   8           HD1      PRO   8  -5.513  -2.503   0.107
   84    H    GLY   9           HN       GLY   9  -9.268  -6.354  -1.485
   85    HA2  GLY   9           HA2      GLY   9 -10.010  -5.199  -4.097
   86    HA3  GLY   9           HA1      GLY   9  -9.497  -6.865  -3.892
   87    H    ASP  10           HN       ASP  10 -10.974  -7.577  -1.647
   88    HA   ASP  10           HA       ASP  10 -13.635  -7.649  -2.857
   89    HB2  ASP  10           HB2      ASP  10 -14.050  -9.628  -1.513
   90    HB3  ASP  10           HB1      ASP  10 -12.543  -9.821  -2.396
   91    H    ASN  11           HN       ASN  11 -15.293  -6.660  -2.018
   92    HA   ASN  11           HA       ASN  11 -16.489  -5.178  -0.766
   93    HB2  ASN  11           HB2      ASN  11 -16.673  -7.323   0.578
   94    HB3  ASN  11           HB1      ASN  11 -15.415  -6.679   1.624
   95   HD21  ASN  11          HD21      ASN  11 -18.705  -6.260   0.513
   96   HD22  ASN  11          HD22      ASN  11 -19.212  -5.222   1.802
   97    H    ALA  12           HN       ALA  12 -14.852  -3.567  -1.491
   98    HA   ALA  12           HA       ALA  12 -13.547  -2.363   0.838
   99    HB1  ALA  12           HB1      ALA  12 -11.843  -3.621  -0.382
  100    HB2  ALA  12           HB2      ALA  12 -11.544  -1.884  -0.438
  101    HB3  ALA  12           HB3      ALA  12 -12.222  -2.708  -1.842
  102    H    THR  13           HN       THR  13 -13.788  -0.247   1.001
  103    HA   THR  13           HA       THR  13 -15.274   1.184  -1.035
  104    HB   THR  13           HB       THR  13 -15.251   3.010   0.700
  105    HG1  THR  13           HG1      THR  13 -14.594   2.293   2.828
  106   HG21  THR  13          HG21      THR  13 -17.117   1.422   0.477
  107   HG22  THR  13          HG22      THR  13 -16.875   1.935   2.146
  108   HG23  THR  13          HG23      THR  13 -16.316   0.347   1.623
  109    HA   PRO  14           HA       PRO  14 -11.888   3.504  -2.811
  110    HB2  PRO  14           HB2      PRO  14 -13.485   5.932  -2.102
  111    HB3  PRO  14           HB1      PRO  14 -12.764   5.477  -3.660
  112    HG2  PRO  14           HG2      PRO  14 -15.349   5.236  -3.311
  113    HG3  PRO  14           HG1      PRO  14 -14.434   3.964  -4.149
  114    HD2  PRO  14           HD2      PRO  14 -15.505   3.970  -1.358
  115    HD3  PRO  14           HD1      PRO  14 -15.430   2.642  -2.531
  116    H    GLU  15           HN       GLU  15 -13.288   4.605   0.219
  117    HA   GLU  15           HA       GLU  15 -11.161   6.190   1.134
  118    HB2  GLU  15           HB2      GLU  15 -13.389   6.250   2.147
  119    HB3  GLU  15           HB1      GLU  15 -13.203   4.590   2.688
  120    HG2  GLU  15           HG2      GLU  15 -11.311   5.312   4.105
  121    HG3  GLU  15           HG1      GLU  15 -11.640   6.974   3.627
  122    H    LYS  16           HN       LYS  16 -11.778   2.734   1.304
  123    HA   LYS  16           HA       LYS  16  -9.633   2.169   3.103
  124    HB2  LYS  16           HB2      LYS  16 -11.649   0.728   2.858
  125    HB3  LYS  16           HB1      LYS  16 -11.118   0.306   1.234
  126    HG2  LYS  16           HG2      LYS  16 -10.523  -1.480   2.690
  127    HG3  LYS  16           HG1      LYS  16  -9.039  -0.639   2.241
  128    HD2  LYS  16           HD2      LYS  16  -8.979  -1.149   4.596
  129    HD3  LYS  16           HD1      LYS  16  -9.145   0.595   4.390
  130    HE2  LYS  16           HE2      LYS  16 -10.610  -0.221   6.161
  131    HE3  LYS  16           HE1      LYS  16 -11.546   0.420   4.814
  132    HZ1  LYS  16           HZ1      LYS  16 -11.032  -2.447   5.389
  133    HZ2  LYS  16           HZ2      LYS  16 -11.867  -1.869   4.040
  134    HZ3  LYS  16           HZ3      LYS  16 -12.501  -1.631   5.587
  135    H    LEU  17           HN       LEU  17 -10.101   2.165  -0.376
  136    HA   LEU  17           HA       LEU  17  -7.560   1.107  -1.048
  137    HB2  LEU  17           HB2      LEU  17  -9.663   2.611  -2.532
  138    HB3  LEU  17           HB1      LEU  17  -8.065   2.481  -3.241
  139    HG   LEU  17           HG       LEU  17  -9.452   0.767  -4.172
  140   HD11  LEU  17          HD11      LEU  17  -7.134   0.152  -3.732
  141   HD12  LEU  17          HD12      LEU  17  -8.207  -1.238  -3.592
  142   HD13  LEU  17          HD13      LEU  17  -7.594  -0.451  -2.140
  143   HD21  LEU  17          HD21      LEU  17 -10.553  -0.935  -2.838
  144   HD22  LEU  17          HD22      LEU  17 -11.143   0.671  -2.404
  145   HD23  LEU  17          HD23      LEU  17  -9.992  -0.160  -1.356
  146    H    ALA  18           HN       ALA  18  -8.764   4.369  -0.514
  147    HA   ALA  18           HA       ALA  18  -6.501   5.797  -1.308
  148    HB1  ALA  18           HB1      ALA  18  -7.366   7.604   0.037
  149    HB2  ALA  18           HB2      ALA  18  -8.404   6.483   0.918
  150    HB3  ALA  18           HB3      ALA  18  -8.696   6.794  -0.792
  151    H    ALA  19           HN       ALA  19  -7.367   4.347   1.789
  152    HA   ALA  19           HA       ALA  19  -5.148   5.127   3.282
  153    HB1  ALA  19           HB1      ALA  19  -7.124   4.056   4.249
  154    HB2  ALA  19           HB2      ALA  19  -5.643   3.219   4.713
  155    HB3  ALA  19           HB3      ALA  19  -6.683   2.542   3.459
  156    H    TYR  20           HN       TYR  20  -5.651   2.349   1.176
  157    HA   TYR  20           HA       TYR  20  -3.141   1.143   1.577
  158    HB2  TYR  20           HB2      TYR  20  -4.905  -0.146   0.574
  159    HB3  TYR  20           HB1      TYR  20  -5.069   1.008  -0.743
  160    HD1  TYR  20           HD1      TYR  20  -4.001   0.578  -2.754
  161    HD2  TYR  20           HD2      TYR  20  -2.553  -1.284   0.778
  162    HE1  TYR  20           HE1      TYR  20  -2.408  -0.725  -4.106
  163    HE2  TYR  20           HE2      TYR  20  -0.963  -2.597  -0.564
  164    HH   TYR  20           HH       TYR  20  -0.343  -1.932  -3.871
  165    H    GLU  21           HN       GLU  21  -4.290   3.383  -0.935
  166    HA   GLU  21           HA       GLU  21  -1.885   3.420  -2.383
  167    HB2  GLU  21           HB2      GLU  21  -4.044   5.527  -2.207
  168    HB3  GLU  21           HB1      GLU  21  -2.732   5.545  -3.375
  169    HG2  GLU  21           HG2      GLU  21  -3.594   3.234  -4.084
  170    HG3  GLU  21           HG1      GLU  21  -5.049   3.654  -3.182
  171    H    LYS  22           HN       LYS  22  -2.942   5.276   0.402
  172    HA   LYS  22           HA       LYS  22  -0.867   7.180   0.368
  173    HB2  LYS  22           HB2      LYS  22  -2.838   7.498   1.750
  174    HB3  LYS  22           HB1      LYS  22  -2.449   6.064   2.691
  175    HG2  LYS  22           HG2      LYS  22  -0.403   7.168   3.499
  176    HG3  LYS  22           HG1      LYS  22  -0.834   8.615   2.586
  177    HD2  LYS  22           HD2      LYS  22  -2.484   7.379   4.795
  178    HD3  LYS  22           HD1      LYS  22  -1.446   8.794   4.964
  179    HE2  LYS  22           HE2      LYS  22  -2.807  10.003   3.341
  180    HE3  LYS  22           HE1      LYS  22  -3.826   8.582   3.121
  181    HZ1  LYS  22           HZ1      LYS  22  -4.539   8.748   5.398
  182    HZ2  LYS  22           HZ2      LYS  22  -4.803  10.227   4.625
  183    HZ3  LYS  22           HZ3      LYS  22  -3.496  10.048   5.679
  184    H    GLU  23           HN       GLU  23  -1.161   4.017   1.928
  185    HA   GLU  23           HA       GLU  23   1.466   4.110   3.052
  186    HB2  GLU  23           HB2      GLU  23  -0.460   1.812   2.649
  187    HB3  GLU  23           HB1      GLU  23   1.074   1.675   3.506
  188    HG2  GLU  23           HG2      GLU  23   0.262   3.447   5.070
  189    HG3  GLU  23           HG1      GLU  23  -1.314   3.332   4.276
  190    H    LEU  24           HN       LEU  24   0.044   2.950   0.098
  191    HA   LEU  24           HA       LEU  24   2.198   1.421  -0.870
  192    HB2  LEU  24           HB2      LEU  24  -0.089   1.452  -1.857
  193    HB3  LEU  24           HB1      LEU  24   0.223   3.069  -2.462
  194    HG   LEU  24           HG       LEU  24   2.073   2.179  -3.843
  195   HD11  LEU  24          HD11      LEU  24   2.610   0.221  -2.479
  196   HD12  LEU  24          HD12      LEU  24   2.299  -0.220  -4.159
  197   HD13  LEU  24          HD13      LEU  24   1.069  -0.514  -2.928
  198   HD21  LEU  24          HD21      LEU  24   0.662   1.119  -5.507
  199   HD22  LEU  24          HD22      LEU  24  -0.179   2.478  -4.759
  200   HD23  LEU  24          HD23      LEU  24  -0.582   0.825  -4.292
  201    H    ALA  25           HN       ALA  25   1.408   4.851  -1.157
  202    HA   ALA  25           HA       ALA  25   3.550   5.621  -2.778
  203    HB1  ALA  25           HB1      ALA  25   3.167   7.875  -1.816
  204    HB2  ALA  25           HB2      ALA  25   2.054   7.144  -0.659
  205    HB3  ALA  25           HB3      ALA  25   1.694   7.090  -2.382
  206    H    ALA  26           HN       ALA  26   3.277   5.321   0.732
  207    HA   ALA  26           HA       ALA  26   5.864   6.284   1.344
  208    HB1  ALA  26           HB1      ALA  26   4.040   6.121   2.992
  209    HB2  ALA  26           HB2      ALA  26   5.517   5.326   3.537
  210    HB3  ALA  26           HB3      ALA  26   4.169   4.363   2.931
  211    H    TYR  27           HN       TYR  27   4.553   3.082   0.712
  212    HA   TYR  27           HA       TYR  27   6.904   1.611   1.178
  213    HB2  TYR  27           HB2      TYR  27   4.858   0.406   1.071
  214    HB3  TYR  27           HB1      TYR  27   4.462   1.075  -0.513
  215    HD1  TYR  27           HD1      TYR  27   6.649  -1.304   1.269
  216    HD2  TYR  27           HD2      TYR  27   5.270   0.082  -2.500
  217    HE1  TYR  27           HE1      TYR  27   7.686  -3.258   0.181
  218    HE2  TYR  27           HE2      TYR  27   6.293  -1.863  -3.604
  219    HH   TYR  27           HH       TYR  27   8.004  -3.503  -3.243
  220    H    GLU  28           HN       GLU  28   5.552   2.988  -1.815
  221    HA   GLU  28           HA       GLU  28   7.568   2.026  -3.519
  222    HB2  GLU  28           HB2      GLU  28   5.791   4.451  -3.798
  223    HB3  GLU  28           HB1      GLU  28   6.827   3.835  -5.076
  224    HG2  GLU  28           HG2      GLU  28   5.595   1.701  -5.016
  225    HG3  GLU  28           HG1      GLU  28   4.510   2.384  -3.800
  226    H    LYS  29           HN       LYS  29   7.439   4.778  -1.398
  227    HA   LYS  29           HA       LYS  29   9.666   6.200  -2.371
  228    HB2  LYS  29           HB2      LYS  29   8.157   7.187  -0.738
  229    HB3  LYS  29           HB1      LYS  29   8.563   5.942   0.436
  230    HG2  LYS  29           HG2      LYS  29  10.868   6.779   0.516
  231    HG3  LYS  29           HG1      LYS  29  10.442   8.047  -0.635
  232    HD2  LYS  29           HD2      LYS  29  10.438   8.919   1.636
  233    HD3  LYS  29           HD1      LYS  29   8.805   8.940   0.973
  234    HE2  LYS  29           HE2      LYS  29   8.742   8.164   3.258
  235    HE3  LYS  29           HE1      LYS  29   8.325   6.836   2.179
  236    HZ1  LYS  29           HZ1      LYS  29  10.635   6.050   2.387
  237    HZ2  LYS  29           HZ2      LYS  29   9.821   6.067   3.867
  238    HZ3  LYS  29           HZ3      LYS  29  10.941   7.278   3.506
  239    H    GLU  30           HN       GLU  30   9.381   3.720   0.157
  240    HA   GLU  30           HA       GLU  30  12.175   3.524   0.620
  241    HB2  GLU  30           HB2      GLU  30   9.927   1.600   1.240
  242    HB3  GLU  30           HB1      GLU  30  11.591   1.349   1.735
  243    HG2  GLU  30           HG2      GLU  30  11.472   3.514   2.974
  244    HG3  GLU  30           HG1      GLU  30   9.750   3.559   2.599
  245    H    LEU  31           HN       LEU  31   9.959   2.001  -1.583
  246    HA   LEU  31           HA       LEU  31  11.608  -0.113  -2.462
  247    HB2  LEU  31           HB2      LEU  31   9.163   0.061  -2.890
  248    HB3  LEU  31           HB1      LEU  31   9.480   1.373  -4.010
  249    HG   LEU  31           HG       LEU  31  10.833  -0.212  -5.387
  250   HD11  LEU  31          HD11      LEU  31  11.379  -1.820  -3.654
  251   HD12  LEU  31          HD12      LEU  31  10.535  -2.609  -4.988
  252   HD13  LEU  31          HD13      LEU  31   9.674  -2.247  -3.492
  253   HD21  LEU  31          HD21      LEU  31   8.881  -1.375  -6.317
  254   HD22  LEU  31          HD22      LEU  31   8.546   0.323  -5.977
  255   HD23  LEU  31          HD23      LEU  31   7.950  -0.928  -4.887
  256    H    ALA  32           HN       ALA  32  11.116   3.181  -3.674
  257    HA   ALA  32           HA       ALA  32  12.857   3.049  -5.860
  258    HB1  ALA  32           HB1      ALA  32  12.832   5.471  -5.811
  259    HB2  ALA  32           HB2      ALA  32  12.177   5.448  -4.174
  260    HB3  ALA  32           HB3      ALA  32  11.214   4.833  -5.518
  261    H    ALA  33           HN       ALA  33  13.426   3.851  -2.470
  262    HA   ALA  33           HA       ALA  33  16.182   4.480  -2.808
  263    HB1  ALA  33           HB1      ALA  33  14.829   5.279  -0.914
  264    HB2  ALA  33           HB2      ALA  33  16.294   4.447  -0.397
  265    HB3  ALA  33           HB3      ALA  33  14.737   3.626  -0.309
  266    H    TYR  34           HN       TYR  34  14.378   1.560  -2.331
  267    HA   TYR  34           HA       TYR  34  16.466  -0.114  -1.408
  268    HB2  TYR  34           HB2      TYR  34  14.018  -0.618  -1.238
  269    HB3  TYR  34           HB1      TYR  34  13.991  -0.887  -2.976
  270    HD1  TYR  34           HD1      TYR  34  15.471  -2.104   0.185
  271    HD2  TYR  34           HD2      TYR  34  14.544  -2.992  -3.865
  272    HE1  TYR  34           HE1      TYR  34  16.060  -4.459   0.574
  273    HE2  TYR  34           HE2      TYR  34  15.127  -5.353  -3.488
  274    HH   TYR  34           HH       TYR  34  16.495  -6.686  -1.941
  275    HN1  NH2  35           HN1      NH2  35  15.135   0.523  -4.614
  276    HN2  NH2  35           HN2      NH2  35  16.459  -0.144  -5.505
  Start of MODEL   14
    1    H1   ACE   0           HA1      ACE   0  15.827  -3.007   3.458
    2    H2   ACE   0           HA2      ACE   0  14.296  -2.766   2.620
    3    H3   ACE   0           HA3      ACE   0  15.499  -3.843   1.913
    4    HA   PRO   1           HA       PRO   1  13.023  -4.878   1.160
    5    HB2  PRO   1           HB2      PRO   1  11.475  -7.166   1.619
    6    HB3  PRO   1           HB1      PRO   1  12.847  -7.067   0.501
    7    HG2  PRO   1           HG2      PRO   1  12.738  -8.129   3.267
    8    HG3  PRO   1           HG1      PRO   1  13.664  -8.699   1.863
    9    HD2  PRO   1           HD2      PRO   1  14.851  -7.318   3.835
   10    HD3  PRO   1           HD1      PRO   1  15.325  -7.096   2.137
   11    HA   PRO   2           HA       PRO   2  10.073  -3.097   4.035
   12    HB2  PRO   2           HB2      PRO   2   8.897  -1.428   2.222
   13    HB3  PRO   2           HB1      PRO   2  10.445  -1.069   3.006
   14    HG2  PRO   2           HG2      PRO   2   9.900  -2.042   0.268
   15    HG3  PRO   2           HG1      PRO   2  11.174  -0.961   0.858
   16    HD2  PRO   2           HD2      PRO   2  11.525  -3.635   0.258
   17    HD3  PRO   2           HD1      PRO   2  12.586  -2.688   1.321
   18    H    LYS   3           HN       LYS   3   7.860  -3.333   4.404
   19    HA   LYS   3           HA       LYS   3   6.701  -5.510   2.869
   20    HB2  LYS   3           HB2      LYS   3   5.670  -4.204   5.392
   21    HB3  LYS   3           HB1      LYS   3   5.129  -5.729   4.703
   22    HG2  LYS   3           HG2      LYS   3   7.854  -5.154   5.848
   23    HG3  LYS   3           HG1      LYS   3   6.582  -6.123   6.593
   24    HD2  LYS   3           HD2      LYS   3   6.723  -7.743   4.794
   25    HD3  LYS   3           HD1      LYS   3   7.922  -6.752   3.962
   26    HE2  LYS   3           HE2      LYS   3   8.270  -8.000   6.681
   27    HE3  LYS   3           HE1      LYS   3   8.930  -8.638   5.178
   28    HZ1  LYS   3           HZ1      LYS   3  10.208  -6.578   4.934
   29    HZ2  LYS   3           HZ2      LYS   3  10.594  -7.390   6.366
   30    HZ3  LYS   3           HZ3      LYS   3   9.604  -6.023   6.414
   31    H    LYS   4           HN       LYS   4   5.300  -5.185   1.312
   32    HA   LYS   4           HA       LYS   4   4.238  -2.548   0.838
   33    HB2  LYS   4           HB2      LYS   4   5.085  -3.936  -1.029
   34    HB3  LYS   4           HB1      LYS   4   3.830  -5.129  -0.697
   35    HG2  LYS   4           HG2      LYS   4   2.116  -3.439  -1.226
   36    HG3  LYS   4           HG1      LYS   4   3.398  -2.293  -1.627
   37    HD2  LYS   4           HD2      LYS   4   4.197  -3.818  -3.379
   38    HD3  LYS   4           HD1      LYS   4   2.895  -4.940  -2.985
   39    HE2  LYS   4           HE2      LYS   4   1.239  -3.255  -3.592
   40    HE3  LYS   4           HE1      LYS   4   2.522  -2.101  -3.952
   41    HZ1  LYS   4           HZ1      LYS   4   3.305  -3.617  -5.693
   42    HZ2  LYS   4           HZ2      LYS   4   1.717  -3.110  -5.969
   43    HZ3  LYS   4           HZ3      LYS   4   2.013  -4.661  -5.371
   44    HA   PRO   5           HA       PRO   5   0.303  -3.386   2.851
   45    HB2  PRO   5           HB2      PRO   5  -1.016  -1.295   1.620
   46    HB3  PRO   5           HB1      PRO   5  -0.063  -1.135   3.108
   47    HG2  PRO   5           HG2      PRO   5   0.691  -0.488   0.309
   48    HG3  PRO   5           HG1      PRO   5   1.069   0.375   1.811
   49    HD2  PRO   5           HD2      PRO   5   2.886  -1.176   0.587
   50    HD3  PRO   5           HD1      PRO   5   2.800  -1.043   2.358
   51    H    LYS   6           HN       LYS   6  -1.426  -4.544   2.187
   52    HA   LYS   6           HA       LYS   6  -1.385  -5.468  -0.543
   53    HB2  LYS   6           HB2      LYS   6  -3.202  -6.218   1.755
   54    HB3  LYS   6           HB1      LYS   6  -3.105  -7.060   0.214
   55    HG2  LYS   6           HG2      LYS   6  -0.892  -6.813   2.243
   56    HG3  LYS   6           HG1      LYS   6  -1.876  -8.244   1.946
   57    HD2  LYS   6           HD2      LYS   6  -0.059  -6.936  -0.079
   58    HD3  LYS   6           HD1      LYS   6   0.347  -8.363   0.874
   59    HE2  LYS   6           HE2      LYS   6  -1.492  -9.586  -0.138
   60    HE3  LYS   6           HE1      LYS   6  -1.961  -8.155  -1.056
   61    HZ1  LYS   6           HZ1      LYS   6  -0.668  -9.729  -2.376
   62    HZ2  LYS   6           HZ2      LYS   6   0.637  -9.566  -1.312
   63    HZ3  LYS   6           HZ3      LYS   6   0.126  -8.242  -2.230
   64    H    LYS   7           HN       LYS   7  -2.701  -4.872  -2.128
   65    HA   LYS   7           HA       LYS   7  -4.420  -2.624  -1.779
   66    HB2  LYS   7           HB2      LYS   7  -3.156  -3.015  -3.877
   67    HB3  LYS   7           HB1      LYS   7  -4.107  -4.464  -4.166
   68    HG2  LYS   7           HG2      LYS   7  -6.139  -3.089  -4.324
   69    HG3  LYS   7           HG1      LYS   7  -5.153  -1.634  -4.095
   70    HD2  LYS   7           HD2      LYS   7  -3.925  -2.108  -6.128
   71    HD3  LYS   7           HD1      LYS   7  -4.796  -3.628  -6.339
   72    HE2  LYS   7           HE2      LYS   7  -5.758  -1.987  -7.804
   73    HE3  LYS   7           HE1      LYS   7  -6.909  -2.326  -6.514
   74    HZ1  LYS   7           HZ1      LYS   7  -6.158  -0.295  -5.396
   75    HZ2  LYS   7           HZ2      LYS   7  -6.786   0.026  -6.930
   76    HZ3  LYS   7           HZ3      LYS   7  -5.117   0.034  -6.686
   77    HA   PRO   8           HA       PRO   8  -7.940  -5.005  -0.337
   78    HB2  PRO   8           HB2      PRO   8  -9.297  -2.452  -1.040
   79    HB3  PRO   8           HB1      PRO   8  -9.338  -3.368   0.477
   80    HG2  PRO   8           HG2      PRO   8  -7.959  -1.112   0.276
   81    HG3  PRO   8           HG1      PRO   8  -7.374  -2.485   1.235
   82    HD2  PRO   8           HD2      PRO   8  -6.458  -1.519  -1.424
   83    HD3  PRO   8           HD1      PRO   8  -5.530  -2.265  -0.101
   84    H    GLY   9           HN       GLY   9  -8.751  -6.473  -1.695
   85    HA2  GLY   9           HA2      GLY   9 -10.123  -5.524  -4.113
   86    HA3  GLY   9           HA1      GLY   9  -8.906  -6.781  -4.257
   87    H    ASP  10           HN       ASP  10 -10.678  -6.884  -1.370
   88    HA   ASP  10           HA       ASP  10 -12.311  -9.084  -2.441
   89    HB2  ASP  10           HB2      ASP  10 -10.803  -9.753  -0.629
   90    HB3  ASP  10           HB1      ASP  10 -11.500  -8.522   0.419
   91    H    ASN  11           HN       ASN  11 -12.551  -6.700   0.186
   92    HA   ASN  11           HA       ASN  11 -14.958  -5.572  -0.861
   93    HB2  ASN  11           HB2      ASN  11 -15.891  -7.636   0.128
   94    HB3  ASN  11           HB1      ASN  11 -15.181  -7.203   1.680
   95   HD21  ASN  11          HD21      ASN  11 -17.198  -7.145   2.682
   96   HD22  ASN  11          HD22      ASN  11 -18.327  -5.863   2.404
   97    H    ALA  12           HN       ALA  12 -13.865  -3.636  -0.647
   98    HA   ALA  12           HA       ALA  12 -13.752  -2.604   2.080
   99    HB1  ALA  12           HB1      ALA  12 -11.481  -3.355   1.576
  100    HB2  ALA  12           HB2      ALA  12 -11.563  -1.601   1.730
  101    HB3  ALA  12           HB3      ALA  12 -11.465  -2.343   0.133
  102    H    THR  13           HN       THR  13 -13.783  -0.290   2.182
  103    HA   THR  13           HA       THR  13 -15.455   0.847   0.157
  104    HB   THR  13           HB       THR  13 -15.340   2.894   1.584
  105    HG1  THR  13           HG1      THR  13 -14.275   2.676   3.615
  106   HG21  THR  13          HG21      THR  13 -16.597   1.942   3.452
  107   HG22  THR  13          HG22      THR  13 -16.013   0.332   3.030
  108   HG23  THR  13          HG23      THR  13 -17.075   1.203   1.924
  109    HA   PRO  14           HA       PRO  14 -12.576   2.982  -2.473
  110    HB2  PRO  14           HB2      PRO  14 -14.088   5.464  -1.751
  111    HB3  PRO  14           HB1      PRO  14 -13.651   4.840  -3.356
  112    HG2  PRO  14           HG2      PRO  14 -16.116   4.601  -2.507
  113    HG3  PRO  14           HG1      PRO  14 -15.322   3.247  -3.345
  114    HD2  PRO  14           HD2      PRO  14 -15.867   3.582  -0.419
  115    HD3  PRO  14           HD1      PRO  14 -15.951   2.120  -1.423
  116    H    GLU  15           HN       GLU  15 -13.360   4.415   0.639
  117    HA   GLU  15           HA       GLU  15 -11.149   6.147   0.829
  118    HB2  GLU  15           HB2      GLU  15 -13.166   6.327   2.250
  119    HB3  GLU  15           HB1      GLU  15 -12.712   4.834   3.056
  120    HG2  GLU  15           HG2      GLU  15 -10.666   5.899   3.863
  121    HG3  GLU  15           HG1      GLU  15 -11.145   7.397   3.075
  122    H    LYS  16           HN       LYS  16 -11.594   2.746   1.568
  123    HA   LYS  16           HA       LYS  16  -9.147   2.458   3.002
  124    HB2  LYS  16           HB2      LYS  16 -11.092   0.928   3.258
  125    HB3  LYS  16           HB1      LYS  16 -10.804   0.333   1.627
  126    HG2  LYS  16           HG2      LYS  16  -9.910  -1.207   3.270
  127    HG3  LYS  16           HG1      LYS  16  -8.600  -0.488   2.330
  128    HD2  LYS  16           HD2      LYS  16  -8.078   1.034   4.119
  129    HD3  LYS  16           HD1      LYS  16  -9.483   0.498   5.039
  130    HE2  LYS  16           HE2      LYS  16  -7.380  -0.470   5.871
  131    HE3  LYS  16           HE1      LYS  16  -8.512  -1.699   5.311
  132    HZ1  LYS  16           HZ1      LYS  16  -7.268  -1.936   3.299
  133    HZ2  LYS  16           HZ2      LYS  16  -6.200  -2.079   4.598
  134    HZ3  LYS  16           HZ3      LYS  16  -6.250  -0.648   3.703
  135    H    LEU  17           HN       LEU  17 -10.157   2.095  -0.335
  136    HA   LEU  17           HA       LEU  17  -7.707   1.118  -1.341
  137    HB2  LEU  17           HB2      LEU  17 -10.034   2.545  -2.570
  138    HB3  LEU  17           HB1      LEU  17  -8.570   2.293  -3.501
  139    HG   LEU  17           HG       LEU  17 -10.107   0.567  -4.073
  140   HD11  LEU  17          HD11      LEU  17  -8.066  -0.576  -2.183
  141   HD12  LEU  17          HD12      LEU  17  -7.762  -0.092  -3.850
  142   HD13  LEU  17          HD13      LEU  17  -8.862  -1.426  -3.507
  143   HD21  LEU  17          HD21      LEU  17 -11.078  -0.964  -2.453
  144   HD22  LEU  17          HD22      LEU  17 -11.557   0.699  -2.114
  145   HD23  LEU  17          HD23      LEU  17 -10.311  -0.075  -1.137
  146    H    ALA  18           HN       ALA  18  -8.942   4.356  -0.740
  147    HA   ALA  18           HA       ALA  18  -6.772   5.767  -1.872
  148    HB1  ALA  18           HB1      ALA  18  -8.617   6.604   0.357
  149    HB2  ALA  18           HB2      ALA  18  -8.939   6.800  -1.365
  150    HB3  ALA  18           HB3      ALA  18  -7.603   7.672  -0.613
  151    H    ALA  19           HN       ALA  19  -7.479   4.576   1.367
  152    HA   ALA  19           HA       ALA  19  -5.228   5.483   2.713
  153    HB1  ALA  19           HB1      ALA  19  -5.641   3.702   4.294
  154    HB2  ALA  19           HB2      ALA  19  -6.663   2.872   3.120
  155    HB3  ALA  19           HB3      ALA  19  -7.167   4.426   3.784
  156    H    TYR  20           HN       TYR  20  -5.707   2.557   0.790
  157    HA   TYR  20           HA       TYR  20  -3.170   1.433   1.118
  158    HB2  TYR  20           HB2      TYR  20  -4.788   0.066   0.078
  159    HB3  TYR  20           HB1      TYR  20  -5.189   1.300  -1.108
  160    HD1  TYR  20           HD1      TYR  20  -4.244   1.227  -3.214
  161    HD2  TYR  20           HD2      TYR  20  -2.391  -0.927  -0.062
  162    HE1  TYR  20           HE1      TYR  20  -2.692   0.221  -4.832
  163    HE2  TYR  20           HE2      TYR  20  -0.829  -1.948  -1.673
  164    HH   TYR  20           HH       TYR  20  -0.500  -0.809  -4.877
  165    H    GLU  21           HN       GLU  21  -4.354   3.812  -1.213
  166    HA   GLU  21           HA       GLU  21  -1.983   4.014  -2.714
  167    HB2  GLU  21           HB2      GLU  21  -4.152   6.064  -2.237
  168    HB3  GLU  21           HB1      GLU  21  -2.876   6.232  -3.430
  169    HG2  GLU  21           HG2      GLU  21  -3.709   4.162  -4.529
  170    HG3  GLU  21           HG1      GLU  21  -5.051   4.152  -3.383
  171    H    LYS  22           HN       LYS  22  -3.021   5.543   0.264
  172    HA   LYS  22           HA       LYS  22  -0.920   7.456   0.368
  173    HB2  LYS  22           HB2      LYS  22  -2.989   7.744   1.643
  174    HB3  LYS  22           HB1      LYS  22  -2.620   6.307   2.586
  175    HG2  LYS  22           HG2      LYS  22  -2.093   8.224   3.901
  176    HG3  LYS  22           HG1      LYS  22  -0.581   7.451   3.426
  177    HD2  LYS  22           HD2      LYS  22  -0.328   9.102   1.616
  178    HD3  LYS  22           HD1      LYS  22  -1.822   9.884   2.135
  179    HE2  LYS  22           HE2      LYS  22   0.725   9.620   3.734
  180    HE3  LYS  22           HE1      LYS  22   0.090  11.091   3.001
  181    HZ1  LYS  22           HZ1      LYS  22  -1.850  10.908   4.457
  182    HZ2  LYS  22           HZ2      LYS  22  -0.416  11.046   5.337
  183    HZ3  LYS  22           HZ3      LYS  22  -1.177   9.545   5.197
  184    H    GLU  23           HN       GLU  23  -1.403   4.253   1.824
  185    HA   GLU  23           HA       GLU  23   1.137   4.203   3.105
  186    HB2  GLU  23           HB2      GLU  23  -0.738   1.956   2.334
  187    HB3  GLU  23           HB1      GLU  23   0.712   1.743   3.311
  188    HG2  GLU  23           HG2      GLU  23  -0.233   3.309   4.979
  189    HG3  GLU  23           HG1      GLU  23  -1.717   3.379   4.018
  190    H    LEU  24           HN       LEU  24  -0.018   3.369  -0.060
  191    HA   LEU  24           HA       LEU  24   2.210   1.923  -0.994
  192    HB2  LEU  24           HB2      LEU  24   0.009   2.104  -2.158
  193    HB3  LEU  24           HB1      LEU  24   0.407   3.759  -2.579
  194    HG   LEU  24           HG       LEU  24   2.375   2.926  -3.847
  195   HD11  LEU  24          HD11      LEU  24   2.533   0.564  -4.389
  196   HD12  LEU  24          HD12      LEU  24   1.164   0.214  -3.335
  197   HD13  LEU  24          HD13      LEU  24   2.674   0.811  -2.648
  198   HD21  LEU  24          HD21      LEU  24   1.093   2.112  -5.743
  199   HD22  LEU  24          HD22      LEU  24   0.249   3.439  -4.943
  200   HD23  LEU  24          HD23      LEU  24  -0.279   1.775  -4.688
  201    H    ALA  25           HN       ALA  25   1.485   5.370  -0.890
  202    HA   ALA  25           HA       ALA  25   3.709   6.298  -2.313
  203    HB1  ALA  25           HB1      ALA  25   1.763   7.679  -1.746
  204    HB2  ALA  25           HB2      ALA  25   3.275   8.437  -1.243
  205    HB3  ALA  25           HB3      ALA  25   2.245   7.643  -0.051
  206    H    ALA  26           HN       ALA  26   3.259   5.563   1.106
  207    HA   ALA  26           HA       ALA  26   5.841   6.408   1.930
  208    HB1  ALA  26           HB1      ALA  26   3.951   6.192   3.480
  209    HB2  ALA  26           HB2      ALA  26   5.348   5.256   4.010
  210    HB3  ALA  26           HB3      ALA  26   3.978   4.443   3.253
  211    H    TYR  27           HN       TYR  27   4.467   3.347   0.882
  212    HA   TYR  27           HA       TYR  27   6.744   1.759   1.403
  213    HB2  TYR  27           HB2      TYR  27   4.662   0.640   1.103
  214    HB3  TYR  27           HB1      TYR  27   4.410   1.391  -0.475
  215    HD1  TYR  27           HD1      TYR  27   5.218   0.382  -2.424
  216    HD2  TYR  27           HD2      TYR  27   6.537  -1.022   1.359
  217    HE1  TYR  27           HE1      TYR  27   6.306  -1.529  -3.527
  218    HE2  TYR  27           HE2      TYR  27   7.640  -2.941   0.274
  219    HH   TYR  27           HH       TYR  27   7.449  -4.231  -1.807
  220    H    GLU  28           HN       GLU  28   5.615   3.388  -1.561
  221    HA   GLU  28           HA       GLU  28   7.653   2.394  -3.219
  222    HB2  GLU  28           HB2      GLU  28   5.996   4.905  -3.466
  223    HB3  GLU  28           HB1      GLU  28   7.094   4.335  -4.715
  224    HG2  GLU  28           HG2      GLU  28   5.798   2.212  -4.805
  225    HG3  GLU  28           HG1      GLU  28   4.632   2.925  -3.685
  226    H    LYS  29           HN       LYS  29   7.662   4.921  -0.886
  227    HA   LYS  29           HA       LYS  29   9.959   6.329  -1.690
  228    HB2  LYS  29           HB2      LYS  29   8.480   7.108   0.117
  229    HB3  LYS  29           HB1      LYS  29   8.946   5.726   1.099
  230    HG2  LYS  29           HG2      LYS  29  11.315   6.578   0.966
  231    HG3  LYS  29           HG1      LYS  29  10.654   8.057   0.268
  232    HD2  LYS  29           HD2      LYS  29  10.993   8.325   2.657
  233    HD3  LYS  29           HD1      LYS  29   9.270   8.367   2.284
  234    HE2  LYS  29           HE2      LYS  29   8.967   6.141   3.077
  235    HE3  LYS  29           HE1      LYS  29  10.707   5.880   3.196
  236    HZ1  LYS  29           HZ1      LYS  29   9.114   7.771   4.836
  237    HZ2  LYS  29           HZ2      LYS  29  10.784   7.556   4.944
  238    HZ3  LYS  29           HZ3      LYS  29   9.744   6.293   5.359
  239    H    GLU  30           HN       GLU  30   9.568   3.620   0.560
  240    HA   GLU  30           HA       GLU  30  12.338   3.138   0.897
  241    HB2  GLU  30           HB2      GLU  30   9.953   1.346   1.381
  242    HB3  GLU  30           HB1      GLU  30  11.595   0.995   1.900
  243    HG2  GLU  30           HG2      GLU  30   9.963   3.365   2.765
  244    HG3  GLU  30           HG1      GLU  30  10.238   1.900   3.709
  245    H    LEU  31           HN       LEU  31   9.922   1.980  -1.333
  246    HA   LEU  31           HA       LEU  31  11.334  -0.169  -2.463
  247    HB2  LEU  31           HB2      LEU  31   8.914   0.314  -2.824
  248    HB3  LEU  31           HB1      LEU  31   9.371   1.668  -3.843
  249    HG   LEU  31           HG       LEU  31  10.493   0.082  -5.384
  250   HD11  LEU  31          HD11      LEU  31  10.041  -2.299  -5.159
  251   HD12  LEU  31          HD12      LEU  31   9.215  -2.002  -3.629
  252   HD13  LEU  31          HD13      LEU  31  10.943  -1.690  -3.772
  253   HD21  LEU  31          HD21      LEU  31   7.581  -0.452  -4.823
  254   HD22  LEU  31          HD22      LEU  31   8.424  -0.831  -6.324
  255   HD23  LEU  31          HD23      LEU  31   8.230   0.848  -5.822
  256    H    ALA  32           HN       ALA  32  11.304   3.272  -3.216
  257    HA   ALA  32           HA       ALA  32  12.894   3.204  -5.515
  258    HB1  ALA  32           HB1      ALA  32  13.272   5.561  -5.127
  259    HB2  ALA  32           HB2      ALA  32  12.711   5.395  -3.462
  260    HB3  ALA  32           HB3      ALA  32  11.590   5.149  -4.798
  261    H    ALA  33           HN       ALA  33  13.734   3.328  -2.106
  262    HA   ALA  33           HA       ALA  33  16.541   3.645  -2.559
  263    HB1  ALA  33           HB1      ALA  33  16.744   3.297  -0.156
  264    HB2  ALA  33           HB2      ALA  33  15.055   2.794  -0.081
  265    HB3  ALA  33           HB3      ALA  33  15.464   4.452  -0.521
  266    H    TYR  34           HN       TYR  34  14.343   0.996  -2.372
  267    HA   TYR  34           HA       TYR  34  16.271  -1.035  -1.782
  268    HB2  TYR  34           HB2      TYR  34  13.863  -1.293  -1.265
  269    HB3  TYR  34           HB1      TYR  34  13.499  -1.257  -2.984
  270    HD1  TYR  34           HD1      TYR  34  13.374  -3.245  -4.171
  271    HD2  TYR  34           HD2      TYR  34  15.465  -3.176  -0.470
  272    HE1  TYR  34           HE1      TYR  34  13.629  -5.689  -4.280
  273    HE2  TYR  34           HE2      TYR  34  15.733  -5.623  -0.572
  274    HH   TYR  34           HH       TYR  34  15.052  -7.429  -3.397
  275    HN1  NH2  35           HN1      NH2  35  14.945   0.419  -4.651
  276    HN2  NH2  35           HN2      NH2  35  15.915  -0.439  -5.792
  Start of MODEL   15
    1    H1   ACE   0           HA1      ACE   0  15.803  -2.936   4.146
    2    H2   ACE   0           HA2      ACE   0  14.369  -2.611   3.177
    3    H3   ACE   0           HA3      ACE   0  15.777  -3.332   2.402
    4    HA   PRO   1           HA       PRO   1  13.594  -4.311   1.027
    5    HB2  PRO   1           HB2      PRO   1  12.540  -7.098   1.054
    6    HB3  PRO   1           HB1      PRO   1  13.204  -6.165  -0.300
    7    HG2  PRO   1           HG2      PRO   1  14.569  -8.150   0.806
    8    HG3  PRO   1           HG1      PRO   1  15.369  -6.680   0.216
    9    HD2  PRO   1           HD2      PRO   1  14.777  -7.504   3.021
   10    HD3  PRO   1           HD1      PRO   1  16.169  -6.610   2.379
   11    HA   PRO   2           HA       PRO   2   9.979  -3.811   3.646
   12    HB2  PRO   2           HB2      PRO   2   8.786  -1.890   2.124
   13    HB3  PRO   2           HB1      PRO   2  10.117  -1.549   3.241
   14    HG2  PRO   2           HG2      PRO   2  10.140  -1.765   0.294
   15    HG3  PRO   2           HG1      PRO   2  11.125  -0.760   1.369
   16    HD2  PRO   2           HD2      PRO   2  11.966  -3.111   0.157
   17    HD3  PRO   2           HD1      PRO   2  12.734  -2.349   1.562
   18    H    LYS   3           HN       LYS   3   7.854  -4.494   3.564
   19    HA   LYS   3           HA       LYS   3   7.157  -6.097   1.235
   20    HB2  LYS   3           HB2      LYS   3   6.935  -7.081   3.492
   21    HB3  LYS   3           HB1      LYS   3   5.781  -5.826   3.919
   22    HG2  LYS   3           HG2      LYS   3   4.282  -6.657   2.133
   23    HG3  LYS   3           HG1      LYS   3   5.420  -7.973   1.840
   24    HD2  LYS   3           HD2      LYS   3   5.105  -8.789   4.104
   25    HD3  LYS   3           HD1      LYS   3   4.036  -7.431   4.467
   26    HE2  LYS   3           HE2      LYS   3   2.507  -8.218   2.688
   27    HE3  LYS   3           HE1      LYS   3   3.551  -9.617   2.449
   28    HZ1  LYS   3           HZ1      LYS   3   2.166  -8.946   4.987
   29    HZ2  LYS   3           HZ2      LYS   3   3.095 -10.328   4.689
   30    HZ3  LYS   3           HZ3      LYS   3   1.635 -10.099   3.870
   31    H    LYS   4           HN       LYS   4   5.273  -5.773   0.016
   32    HA   LYS   4           HA       LYS   4   4.382  -3.079  -0.213
   33    HB2  LYS   4           HB2      LYS   4   4.492  -4.716  -2.114
   34    HB3  LYS   4           HB1      LYS   4   3.136  -5.579  -1.388
   35    HG2  LYS   4           HG2      LYS   4   1.825  -3.430  -1.581
   36    HG3  LYS   4           HG1      LYS   4   3.152  -2.813  -2.569
   37    HD2  LYS   4           HD2      LYS   4   1.503  -3.665  -4.053
   38    HD3  LYS   4           HD1      LYS   4   2.846  -4.809  -4.055
   39    HE2  LYS   4           HE2      LYS   4   0.715  -5.989  -3.964
   40    HE3  LYS   4           HE1      LYS   4   1.619  -6.238  -2.473
   41    HZ1  LYS   4           HZ1      LYS   4   0.247  -4.659  -1.352
   42    HZ2  LYS   4           HZ2      LYS   4  -0.770  -5.753  -2.141
   43    HZ3  LYS   4           HZ3      LYS   4  -0.526  -4.208  -2.793
   44    HA   PRO   5           HA       PRO   5   1.360  -2.990   3.010
   45    HB2  PRO   5           HB2      PRO   5  -0.449  -1.267   1.782
   46    HB3  PRO   5           HB1      PRO   5   0.974  -0.770   2.720
   47    HG2  PRO   5           HG2      PRO   5   0.645  -1.010  -0.222
   48    HG3  PRO   5           HG1      PRO   5   1.509   0.218   0.724
   49    HD2  PRO   5           HD2      PRO   5   2.851  -1.709  -0.535
   50    HD3  PRO   5           HD1      PRO   5   3.346  -1.154   1.080
   51    H    LYS   6           HN       LYS   6  -0.742  -3.552   3.527
   52    HA   LYS   6           HA       LYS   6  -1.757  -5.832   2.329
   53    HB2  LYS   6           HB2      LYS   6  -3.785  -5.356   3.762
   54    HB3  LYS   6           HB1      LYS   6  -2.244  -5.367   4.613
   55    HG2  LYS   6           HG2      LYS   6  -2.202  -2.888   4.453
   56    HG3  LYS   6           HG1      LYS   6  -3.817  -2.950   3.753
   57    HD2  LYS   6           HD2      LYS   6  -4.740  -3.838   5.750
   58    HD3  LYS   6           HD1      LYS   6  -3.140  -4.142   6.431
   59    HE2  LYS   6           HE2      LYS   6  -4.250  -2.142   7.387
   60    HE3  LYS   6           HE1      LYS   6  -2.709  -1.784   6.616
   61    HZ1  LYS   6           HZ1      LYS   6  -5.358  -1.391   5.336
   62    HZ2  LYS   6           HZ2      LYS   6  -3.855  -0.938   4.707
   63    HZ3  LYS   6           HZ3      LYS   6  -4.461  -0.169   6.081
   64    H    LYS   7           HN       LYS   7  -2.918  -6.183   0.581
   65    HA   LYS   7           HA       LYS   7  -4.154  -3.987  -0.848
   66    HB2  LYS   7           HB2      LYS   7  -2.959  -5.611  -2.192
   67    HB3  LYS   7           HB1      LYS   7  -3.873  -6.935  -1.481
   68    HG2  LYS   7           HG2      LYS   7  -5.914  -6.100  -2.525
   69    HG3  LYS   7           HG1      LYS   7  -5.001  -4.773  -3.252
   70    HD2  LYS   7           HD2      LYS   7  -4.398  -7.693  -3.732
   71    HD3  LYS   7           HD1      LYS   7  -5.435  -6.721  -4.778
   72    HE2  LYS   7           HE2      LYS   7  -2.534  -6.140  -4.160
   73    HE3  LYS   7           HE1      LYS   7  -3.134  -6.891  -5.637
   74    HZ1  LYS   7           HZ1      LYS   7  -3.867  -4.168  -4.706
   75    HZ2  LYS   7           HZ2      LYS   7  -4.345  -4.892  -6.153
   76    HZ3  LYS   7           HZ3      LYS   7  -2.721  -4.509  -5.900
   77    HA   PRO   8           HA       PRO   8  -8.063  -4.717   1.274
   78    HB2  PRO   8           HB2      PRO   8  -8.978  -2.775  -0.771
   79    HB3  PRO   8           HB1      PRO   8  -9.119  -2.697   0.994
   80    HG2  PRO   8           HG2      PRO   8  -7.426  -1.133  -0.311
   81    HG3  PRO   8           HG1      PRO   8  -7.023  -1.831   1.272
   82    HD2  PRO   8           HD2      PRO   8  -6.096  -2.660  -1.443
   83    HD3  PRO   8           HD1      PRO   8  -5.202  -2.589   0.094
   84    H    GLY   9           HN       GLY   9  -9.773  -6.007   0.813
   85    HA2  GLY   9           HA2      GLY   9  -9.782  -7.436  -1.672
   86    HA3  GLY   9           HA1      GLY   9 -10.906  -7.652  -0.339
   87    H    ASP  10           HN       ASP  10 -12.200  -7.884  -2.528
   88    HA   ASP  10           HA       ASP  10 -12.835  -5.539  -3.983
   89    HB2  ASP  10           HB2      ASP  10 -13.206  -7.780  -4.913
   90    HB3  ASP  10           HB1      ASP  10 -14.442  -8.088  -3.697
   91    H    ASN  11           HN       ASN  11 -14.025  -6.850  -1.011
   92    HA   ASN  11           HA       ASN  11 -16.488  -5.367  -1.033
   93    HB2  ASN  11           HB2      ASN  11 -16.873  -6.228   1.180
   94    HB3  ASN  11           HB1      ASN  11 -16.249  -7.533   0.181
   95   HD21  ASN  11          HD21      ASN  11 -16.242  -7.233   3.071
   96   HD22  ASN  11          HD22      ASN  11 -14.584  -7.321   3.564
   97    H    ALA  12           HN       ALA  12 -13.329  -4.478  -0.502
   98    HA   ALA  12           HA       ALA  12 -13.768  -2.582   1.604
   99    HB1  ALA  12           HB1      ALA  12 -11.498  -1.811   1.106
  100    HB2  ALA  12           HB2      ALA  12 -11.456  -2.864  -0.309
  101    HB3  ALA  12           HB3      ALA  12 -11.570  -3.560   1.307
  102    H    THR  13           HN       THR  13 -13.923  -0.378   1.445
  103    HA   THR  13           HA       THR  13 -15.324   0.570  -0.864
  104    HB   THR  13           HB       THR  13 -15.373   2.728   0.416
  105    HG1  THR  13           HG1      THR  13 -14.610   2.598   2.608
  106   HG21  THR  13          HG21      THR  13 -16.260   0.277   1.936
  107   HG22  THR  13          HG22      THR  13 -17.157   1.071   0.643
  108   HG23  THR  13          HG23      THR  13 -16.871   1.916   2.164
  109    HA   PRO  14           HA       PRO  14 -12.052   2.612  -3.154
  110    HB2  PRO  14           HB2      PRO  14 -13.797   5.034  -2.960
  111    HB3  PRO  14           HB1      PRO  14 -13.032   4.313  -4.392
  112    HG2  PRO  14           HG2      PRO  14 -15.596   3.981  -4.006
  113    HG3  PRO  14           HG1      PRO  14 -14.593   2.615  -4.541
  114    HD2  PRO  14           HD2      PRO  14 -15.696   3.176  -1.813
  115    HD3  PRO  14           HD1      PRO  14 -15.544   1.629  -2.669
  116    H    GLU  15           HN       GLU  15 -13.501   4.193  -0.365
  117    HA   GLU  15           HA       GLU  15 -11.443   6.034   0.172
  118    HB2  GLU  15           HB2      GLU  15 -13.655   6.199   1.210
  119    HB3  GLU  15           HB1      GLU  15 -13.376   4.692   2.069
  120    HG2  GLU  15           HG2      GLU  15 -11.532   5.734   3.285
  121    HG3  GLU  15           HG1      GLU  15 -11.840   7.246   2.439
  122    H    LYS  16           HN       LYS  16 -11.855   2.642   0.947
  123    HA   LYS  16           HA       LYS  16  -9.662   2.483   2.763
  124    HB2  LYS  16           HB2      LYS  16 -11.507   0.854   2.782
  125    HB3  LYS  16           HB1      LYS  16 -11.052   0.315   1.170
  126    HG2  LYS  16           HG2      LYS  16 -10.251  -1.263   2.792
  127    HG3  LYS  16           HG1      LYS  16  -8.875  -0.424   2.077
  128    HD2  LYS  16           HD2      LYS  16  -8.611  -0.668   4.496
  129    HD3  LYS  16           HD1      LYS  16  -8.729   1.029   4.032
  130    HE2  LYS  16           HE2      LYS  16 -11.016   1.126   4.757
  131    HE3  LYS  16           HE1      LYS  16 -11.048  -0.613   5.047
  132    HZ1  LYS  16           HZ1      LYS  16  -9.348   1.336   6.504
  133    HZ2  LYS  16           HZ2      LYS  16  -9.435  -0.327   6.804
  134    HZ3  LYS  16           HZ3      LYS  16 -10.779   0.656   7.094
  135    H    LEU  17           HN       LEU  17 -10.113   2.097  -0.684
  136    HA   LEU  17           HA       LEU  17  -7.524   1.162  -1.293
  137    HB2  LEU  17           HB2      LEU  17  -9.721   2.428  -2.832
  138    HB3  LEU  17           HB1      LEU  17  -8.116   2.490  -3.531
  139    HG   LEU  17           HG       LEU  17  -9.321   0.607  -4.433
  140   HD11  LEU  17          HD11      LEU  17  -7.230  -0.332  -2.475
  141   HD12  LEU  17          HD12      LEU  17  -6.914   0.353  -4.070
  142   HD13  LEU  17          HD13      LEU  17  -7.767  -1.182  -3.923
  143   HD21  LEU  17          HD21      LEU  17  -9.609  -0.360  -1.593
  144   HD22  LEU  17          HD22      LEU  17 -10.099  -1.231  -3.045
  145   HD23  LEU  17          HD23      LEU  17 -10.905   0.274  -2.605
  146    H    ALA  18           HN       ALA  18  -8.865   4.384  -0.869
  147    HA   ALA  18           HA       ALA  18  -6.649   5.869  -1.709
  148    HB1  ALA  18           HB1      ALA  18  -7.585   7.693  -0.412
  149    HB2  ALA  18           HB2      ALA  18  -8.620   6.564   0.461
  150    HB3  ALA  18           HB3      ALA  18  -8.867   6.832  -1.264
  151    H    ALA  19           HN       ALA  19  -7.476   4.436   1.396
  152    HA   ALA  19           HA       ALA  19  -5.266   5.342   2.865
  153    HB1  ALA  19           HB1      ALA  19  -6.796   2.771   3.195
  154    HB2  ALA  19           HB2      ALA  19  -7.253   4.330   3.882
  155    HB3  ALA  19           HB3      ALA  19  -5.767   3.537   4.407
  156    H    TYR  20           HN       TYR  20  -5.762   2.449   0.892
  157    HA   TYR  20           HA       TYR  20  -3.261   1.258   1.352
  158    HB2  TYR  20           HB2      TYR  20  -4.997  -0.045   0.327
  159    HB3  TYR  20           HB1      TYR  20  -5.131   1.090  -1.009
  160    HD1  TYR  20           HD1      TYR  20  -3.981   0.675  -2.985
  161    HD2  TYR  20           HD2      TYR  20  -2.693  -1.224   0.590
  162    HE1  TYR  20           HE1      TYR  20  -2.365  -0.659  -4.283
  163    HE2  TYR  20           HE2      TYR  20  -1.077  -2.562  -0.692
  164    HH   TYR  20           HH       TYR  20  -0.326  -1.895  -3.974
  165    H    GLU  21           HN       GLU  21  -4.345   3.536  -1.136
  166    HA   GLU  21           HA       GLU  21  -1.967   3.629  -2.608
  167    HB2  GLU  21           HB2      GLU  21  -4.013   5.808  -2.149
  168    HB3  GLU  21           HB1      GLU  21  -2.738   5.886  -3.349
  169    HG2  GLU  21           HG2      GLU  21  -3.705   3.872  -4.438
  170    HG3  GLU  21           HG1      GLU  21  -5.035   3.939  -3.278
  171    H    LYS  22           HN       LYS  22  -2.925   5.239   0.345
  172    HA   LYS  22           HA       LYS  22  -0.799   7.107   0.430
  173    HB2  LYS  22           HB2      LYS  22  -2.906   7.293   1.739
  174    HB3  LYS  22           HB1      LYS  22  -2.375   5.944   2.731
  175    HG2  LYS  22           HG2      LYS  22  -1.980   8.021   3.880
  176    HG3  LYS  22           HG1      LYS  22  -0.440   7.269   3.463
  177    HD2  LYS  22           HD2      LYS  22  -0.128   8.780   1.627
  178    HD3  LYS  22           HD1      LYS  22  -1.761   9.422   1.814
  179    HE2  LYS  22           HE2      LYS  22   0.468   9.674   3.834
  180    HE3  LYS  22           HE1      LYS  22  -0.061  10.940   2.727
  181    HZ1  LYS  22           HZ1      LYS  22  -2.245  10.884   3.779
  182    HZ2  LYS  22           HZ2      LYS  22  -1.035  11.238   4.905
  183    HZ3  LYS  22           HZ3      LYS  22  -1.715   9.691   4.858
  184    H    GLU  23           HN       GLU  23  -1.278   3.906   1.898
  185    HA   GLU  23           HA       GLU  23   1.305   3.806   3.081
  186    HB2  GLU  23           HB2      GLU  23  -0.647   1.602   2.381
  187    HB3  GLU  23           HB1      GLU  23   0.847   1.342   3.276
  188    HG2  GLU  23           HG2      GLU  23   0.017   2.933   4.999
  189    HG3  GLU  23           HG1      GLU  23  -1.518   2.998   4.125
  190    H    LEU  24           HN       LEU  24  -0.015   2.895  -0.011
  191    HA   LEU  24           HA       LEU  24   2.172   1.414  -0.998
  192    HB2  LEU  24           HB2      LEU  24  -0.126   1.516  -2.000
  193    HB3  LEU  24           HB1      LEU  24   0.249   3.128  -2.578
  194    HG   LEU  24           HG       LEU  24   2.095   2.199  -3.935
  195   HD11  LEU  24          HD11      LEU  24   2.262  -0.205  -4.261
  196   HD12  LEU  24          HD12      LEU  24   1.010  -0.471  -3.049
  197   HD13  LEU  24          HD13      LEU  24   2.562   0.222  -2.578
  198   HD21  LEU  24          HD21      LEU  24   0.688   1.199  -5.635
  199   HD22  LEU  24          HD22      LEU  24  -0.145   2.558  -4.880
  200   HD23  LEU  24          HD23      LEU  24  -0.580   0.905  -4.445
  201    H    ALA  25           HN       ALA  25   1.405   4.849  -1.013
  202    HA   ALA  25           HA       ALA  25   3.531   5.741  -2.606
  203    HB1  ALA  25           HB1      ALA  25   1.619   7.137  -1.985
  204    HB2  ALA  25           HB2      ALA  25   3.149   7.914  -1.576
  205    HB3  ALA  25           HB3      ALA  25   2.180   7.152  -0.313
  206    H    ALA  26           HN       ALA  26   3.281   5.143   0.864
  207    HA   ALA  26           HA       ALA  26   5.877   6.004   1.553
  208    HB1  ALA  26           HB1      ALA  26   4.110   5.688   3.213
  209    HB2  ALA  26           HB2      ALA  26   5.547   4.751   3.621
  210    HB3  ALA  26           HB3      ALA  26   4.140   3.952   2.916
  211    H    TYR  27           HN       TYR  27   4.548   2.905   0.557
  212    HA   TYR  27           HA       TYR  27   6.883   1.378   0.909
  213    HB2  TYR  27           HB2      TYR  27   4.798   0.236   0.669
  214    HB3  TYR  27           HB1      TYR  27   4.492   0.994  -0.894
  215    HD1  TYR  27           HD1      TYR  27   6.721  -1.382   0.861
  216    HD2  TYR  27           HD2      TYR  27   5.237  -0.019  -2.875
  217    HE1  TYR  27           HE1      TYR  27   7.812  -3.287  -0.256
  218    HE2  TYR  27           HE2      TYR  27   6.311  -1.921  -4.008
  219    HH   TYR  27           HH       TYR  27   7.524  -4.605  -2.352
  220    H    GLU  28           HN       GLU  28   5.542   2.961  -1.991
  221    HA   GLU  28           HA       GLU  28   7.632   2.194  -3.710
  222    HB2  GLU  28           HB2      GLU  28   5.758   4.566  -3.850
  223    HB3  GLU  28           HB1      GLU  28   6.861   4.113  -5.140
  224    HG2  GLU  28           HG2      GLU  28   5.729   1.938  -5.328
  225    HG3  GLU  28           HG1      GLU  28   4.592   2.433  -4.070
  226    H    LYS  29           HN       LYS  29   7.306   4.808  -1.433
  227    HA   LYS  29           HA       LYS  29   9.521   6.344  -2.262
  228    HB2  LYS  29           HB2      LYS  29   7.737   7.125  -0.704
  229    HB3  LYS  29           HB1      LYS  29   8.387   6.053   0.527
  230    HG2  LYS  29           HG2      LYS  29   9.149   8.297   0.931
  231    HG3  LYS  29           HG1      LYS  29  10.513   7.288   0.448
  232    HD2  LYS  29           HD2      LYS  29  10.805   9.289  -0.745
  233    HD3  LYS  29           HD1      LYS  29  10.111   8.174  -1.917
  234    HE2  LYS  29           HE2      LYS  29   8.485  10.157  -0.338
  235    HE3  LYS  29           HE1      LYS  29   9.163  10.506  -1.922
  236    HZ1  LYS  29           HZ1      LYS  29   7.892   8.500  -2.718
  237    HZ2  LYS  29           HZ2      LYS  29   6.963   9.839  -2.282
  238    HZ3  LYS  29           HZ3      LYS  29   7.076   8.522  -1.236
  239    H    GLU  30           HN       GLU  30   9.183   3.854   0.258
  240    HA   GLU  30           HA       GLU  30  11.926   3.786   0.964
  241    HB2  GLU  30           HB2      GLU  30  10.052   2.893   2.366
  242    HB3  GLU  30           HB1      GLU  30   9.899   1.555   1.236
  243    HG2  GLU  30           HG2      GLU  30  11.146   0.828   3.130
  244    HG3  GLU  30           HG1      GLU  30  12.234   0.925   1.748
  245    H    LEU  31           HN       LEU  31  10.003   2.126  -1.432
  246    HA   LEU  31           HA       LEU  31  11.871   0.177  -2.229
  247    HB2  LEU  31           HB2      LEU  31   9.421   0.265  -2.822
  248    HB3  LEU  31           HB1      LEU  31   9.806   1.536  -3.967
  249    HG   LEU  31           HG       LEU  31  11.277  -0.048  -5.180
  250   HD11  LEU  31          HD11      LEU  31  11.090  -2.434  -4.680
  251   HD12  LEU  31          HD12      LEU  31  10.117  -2.056  -3.257
  252   HD13  LEU  31          HD13      LEU  31  11.803  -1.543  -3.336
  253   HD21  LEU  31          HD21      LEU  31   8.988   0.333  -5.900
  254   HD22  LEU  31          HD22      LEU  31   8.419  -0.918  -4.795
  255   HD23  LEU  31          HD23      LEU  31   9.449  -1.350  -6.161
  256    H    ALA  32           HN       ALA  32  11.391   3.528  -3.165
  257    HA   ALA  32           HA       ALA  32  13.197   3.599  -5.320
  258    HB1  ALA  32           HB1      ALA  32  11.538   5.331  -4.940
  259    HB2  ALA  32           HB2      ALA  32  13.157   6.020  -5.025
  260    HB3  ALA  32           HB3      ALA  32  12.365   5.815  -3.463
  261    H    ALA  33           HN       ALA  33  13.643   3.749  -1.872
  262    HA   ALA  33           HA       ALA  33  16.383   4.639  -2.057
  263    HB1  ALA  33           HB1      ALA  33  14.810   3.626   0.301
  264    HB2  ALA  33           HB2      ALA  33  14.986   5.313  -0.175
  265    HB3  ALA  33           HB3      ALA  33  16.394   4.400   0.369
  266    H    TYR  34           HN       TYR  34  14.742   1.685  -2.305
  267    HA   TYR  34           HA       TYR  34  16.895   0.056  -1.265
  268    HB2  TYR  34           HB2      TYR  34  14.553  -0.661  -0.965
  269    HB3  TYR  34           HB1      TYR  34  14.355  -0.738  -2.713
  270    HD1  TYR  34           HD1      TYR  34  16.453  -2.140   0.027
  271    HD2  TYR  34           HD2      TYR  34  14.717  -2.751  -3.805
  272    HE1  TYR  34           HE1      TYR  34  17.247  -4.470   0.047
  273    HE2  TYR  34           HE2      TYR  34  15.502  -5.083  -3.796
  274    HH   TYR  34           HH       TYR  34  16.795  -6.583  -0.982
  275    HN1  NH2  35           HN1      NH2  35  18.670   0.015  -2.458
  276    HN2  NH2  35           HN2      NH2  35  18.742  -0.268  -4.163
  Start of MODEL   16
    1    H1   ACE   0           HA1      ACE   0  12.822  -1.952   3.901
    2    H2   ACE   0           HA2      ACE   0  14.231  -1.121   4.554
    3    H3   ACE   0           HA3      ACE   0  13.323  -2.213   5.598
    4    HA   PRO   1           HA       PRO   1  13.223  -4.844   2.333
    5    HB2  PRO   1           HB2      PRO   1  11.987  -6.620   4.341
    6    HB3  PRO   1           HB1      PRO   1  12.870  -7.053   2.866
    7    HG2  PRO   1           HG2      PRO   1  13.896  -7.491   5.283
    8    HG3  PRO   1           HG1      PRO   1  14.907  -7.021   3.902
    9    HD2  PRO   1           HD2      PRO   1  13.904  -5.315   6.157
   10    HD3  PRO   1           HD1      PRO   1  15.516  -5.353   5.409
   11    HA   PRO   2           HA       PRO   2   9.774  -2.298   3.755
   12    HB2  PRO   2           HB2      PRO   2   8.992  -1.487   1.284
   13    HB3  PRO   2           HB1      PRO   2  10.354  -0.752   2.148
   14    HG2  PRO   2           HG2      PRO   2  10.363  -2.677  -0.095
   15    HG3  PRO   2           HG1      PRO   2  11.496  -1.367   0.282
   16    HD2  PRO   2           HD2      PRO   2  11.937  -4.060   0.791
   17    HD3  PRO   2           HD1      PRO   2  12.803  -2.718   1.563
   18    H    LYS   3           HN       LYS   3   7.734  -2.912   4.100
   19    HA   LYS   3           HA       LYS   3   6.835  -5.418   3.003
   20    HB2  LYS   3           HB2      LYS   3   6.454  -4.923   5.358
   21    HB3  LYS   3           HB1      LYS   3   5.533  -3.490   4.933
   22    HG2  LYS   3           HG2      LYS   3   3.811  -4.865   3.919
   23    HG3  LYS   3           HG1      LYS   3   4.746  -6.317   4.265
   24    HD2  LYS   3           HD2      LYS   3   3.959  -4.461   6.477
   25    HD3  LYS   3           HD1      LYS   3   2.805  -5.633   5.848
   26    HE2  LYS   3           HE2      LYS   3   3.901  -6.582   7.760
   27    HE3  LYS   3           HE1      LYS   3   4.441  -7.432   6.318
   28    HZ1  LYS   3           HZ1      LYS   3   6.239  -6.919   7.897
   29    HZ2  LYS   3           HZ2      LYS   3   5.971  -5.267   7.654
   30    HZ3  LYS   3           HZ3      LYS   3   6.496  -6.238   6.372
   31    H    LYS   4           HN       LYS   4   5.559  -5.684   1.306
   32    HA   LYS   4           HA       LYS   4   4.368  -3.373   0.012
   33    HB2  LYS   4           HB2      LYS   4   5.529  -5.070  -1.356
   34    HB3  LYS   4           HB1      LYS   4   4.412  -6.304  -0.780
   35    HG2  LYS   4           HG2      LYS   4   2.564  -5.173  -1.893
   36    HG3  LYS   4           HG1      LYS   4   3.662  -3.905  -2.445
   37    HD2  LYS   4           HD2      LYS   4   4.902  -5.486  -3.775
   38    HD3  LYS   4           HD1      LYS   4   3.957  -6.830  -3.129
   39    HE2  LYS   4           HE2      LYS   4   3.156  -6.288  -5.339
   40    HE3  LYS   4           HE1      LYS   4   1.927  -5.839  -4.157
   41    HZ1  LYS   4           HZ1      LYS   4   2.189  -4.129  -5.823
   42    HZ2  LYS   4           HZ2      LYS   4   3.835  -3.977  -5.472
   43    HZ3  LYS   4           HZ3      LYS   4   2.680  -3.540  -4.317
   44    HA   PRO   5           HA       PRO   5   0.536  -4.265   2.155
   45    HB2  PRO   5           HB2      PRO   5  -0.850  -2.131   1.240
   46    HB3  PRO   5           HB1      PRO   5   0.390  -1.987   2.500
   47    HG2  PRO   5           HG2      PRO   5   0.569  -1.358  -0.398
   48    HG3  PRO   5           HG1      PRO   5   1.243  -0.488   0.993
   49    HD2  PRO   5           HD2      PRO   5   2.711  -2.162  -0.598
   50    HD3  PRO   5           HD1      PRO   5   3.091  -1.818   1.101
   51    H    LYS   6           HN       LYS   6  -1.487  -5.052   1.611
   52    HA   LYS   6           HA       LYS   6  -1.657  -6.128  -1.065
   53    HB2  LYS   6           HB2      LYS   6  -3.455  -6.480   1.340
   54    HB3  LYS   6           HB1      LYS   6  -3.571  -7.398  -0.157
   55    HG2  LYS   6           HG2      LYS   6  -1.389  -8.367   0.229
   56    HG3  LYS   6           HG1      LYS   6  -1.180  -7.378   1.674
   57    HD2  LYS   6           HD2      LYS   6  -3.103  -8.489   2.706
   58    HD3  LYS   6           HD1      LYS   6  -3.297  -9.489   1.265
   59    HE2  LYS   6           HE2      LYS   6  -1.063 -10.426   1.620
   60    HE3  LYS   6           HE1      LYS   6  -0.873  -9.429   3.060
   61    HZ1  LYS   6           HZ1      LYS   6  -2.690 -10.598   4.099
   62    HZ2  LYS   6           HZ2      LYS   6  -1.531 -11.711   3.578
   63    HZ3  LYS   6           HZ3      LYS   6  -2.960 -11.511   2.700
   64    H    LYS   7           HN       LYS   7  -2.869  -5.366  -2.651
   65    HA   LYS   7           HA       LYS   7  -4.351  -2.950  -2.400
   66    HB2  LYS   7           HB2      LYS   7  -3.175  -3.670  -4.493
   67    HB3  LYS   7           HB1      LYS   7  -4.354  -4.959  -4.673
   68    HG2  LYS   7           HG2      LYS   7  -6.140  -3.303  -4.921
   69    HG3  LYS   7           HG1      LYS   7  -4.950  -2.001  -4.740
   70    HD2  LYS   7           HD2      LYS   7  -3.794  -2.745  -6.740
   71    HD3  LYS   7           HD1      LYS   7  -4.898  -4.111  -6.904
   72    HE2  LYS   7           HE2      LYS   7  -5.579  -2.407  -8.443
   73    HE3  LYS   7           HE1      LYS   7  -6.770  -2.486  -7.153
   74    HZ1  LYS   7           HZ1      LYS   7  -5.695  -0.549  -6.133
   75    HZ2  LYS   7           HZ2      LYS   7  -6.263  -0.214  -7.686
   76    HZ3  LYS   7           HZ3      LYS   7  -4.613  -0.468  -7.429
   77    HA   PRO   8           HA       PRO   8  -7.943  -4.776  -0.492
   78    HB2  PRO   8           HB2      PRO   8  -9.162  -2.307  -1.652
   79    HB3  PRO   8           HB1      PRO   8  -9.278  -2.953  -0.005
   80    HG2  PRO   8           HG2      PRO   8  -7.724  -0.888  -0.528
   81    HG3  PRO   8           HG1      PRO   8  -7.219  -2.153   0.608
   82    HD2  PRO   8           HD2      PRO   8  -6.290  -1.636  -2.165
   83    HD3  PRO   8           HD1      PRO   8  -5.400  -2.287  -0.769
   84    H    GLY   9           HN       GLY   9  -9.001  -6.393  -1.388
   85    HA2  GLY   9           HA2      GLY   9 -10.179  -6.006  -4.064
   86    HA3  GLY   9           HA1      GLY   9  -9.683  -7.563  -3.416
   87    H    ASP  10           HN       ASP  10 -10.745  -7.666  -0.983
   88    HA   ASP  10           HA       ASP  10 -13.623  -7.619  -1.484
   89    HB2  ASP  10           HB2      ASP  10 -13.780  -9.088   0.482
   90    HB3  ASP  10           HB1      ASP  10 -12.640  -9.736  -0.693
   91    H    ASN  11           HN       ASN  11 -15.071  -6.493  -0.154
   92    HA   ASN  11           HA       ASN  11 -15.774  -4.666   1.040
   93    HB2  ASN  11           HB2      ASN  11 -13.571  -5.690   2.836
   94    HB3  ASN  11           HB1      ASN  11 -14.642  -4.373   3.297
   95   HD21  ASN  11          HD21      ASN  11 -16.801  -4.828   3.788
   96   HD22  ASN  11          HD22      ASN  11 -17.360  -6.445   4.054
   97    H    ALA  12           HN       ALA  12 -14.118  -4.034  -1.070
   98    HA   ALA  12           HA       ALA  12 -12.027  -2.266  -0.113
   99    HB1  ALA  12           HB1      ALA  12 -11.620  -3.796  -2.009
  100    HB2  ALA  12           HB2      ALA  12 -11.326  -2.104  -2.399
  101    HB3  ALA  12           HB3      ALA  12 -12.802  -2.890  -2.956
  102    H    THR  13           HN       THR  13 -13.346  -0.695   0.878
  103    HA   THR  13           HA       THR  13 -15.043   0.958  -0.768
  104    HB   THR  13           HB       THR  13 -15.099   2.392   1.324
  105    HG1  THR  13           HG1      THR  13 -14.240   1.466   3.201
  106   HG21  THR  13          HG21      THR  13 -16.576   0.872   2.513
  107   HG22  THR  13          HG22      THR  13 -15.916  -0.495   1.615
  108   HG23  THR  13          HG23      THR  13 -16.838   0.751   0.773
  109    HA   PRO  14           HA       PRO  14 -12.092   3.903  -2.256
  110    HB2  PRO  14           HB2      PRO  14 -13.859   5.992  -1.056
  111    HB3  PRO  14           HB1      PRO  14 -13.220   5.875  -2.707
  112    HG2  PRO  14           HG2      PRO  14 -15.733   5.291  -2.249
  113    HG3  PRO  14           HG1      PRO  14 -14.762   4.276  -3.341
  114    HD2  PRO  14           HD2      PRO  14 -15.603   3.729  -0.517
  115    HD3  PRO  14           HD1      PRO  14 -15.493   2.617  -1.896
  116    H    GLU  15           HN       GLU  15 -13.300   4.378   1.037
  117    HA   GLU  15           HA       GLU  15 -11.169   5.951   1.994
  118    HB2  GLU  15           HB2      GLU  15 -13.221   5.739   3.277
  119    HB3  GLU  15           HB1      GLU  15 -12.964   4.010   3.459
  120    HG2  GLU  15           HG2      GLU  15 -10.878   4.521   4.713
  121    HG3  GLU  15           HG1      GLU  15 -11.319   6.221   4.649
  122    H    LYS  16           HN       LYS  16 -11.614   2.468   1.735
  123    HA   LYS  16           HA       LYS  16  -9.262   1.810   3.209
  124    HB2  LYS  16           HB2      LYS  16 -11.326   0.349   2.876
  125    HB3  LYS  16           HB1      LYS  16 -10.718   0.030   1.255
  126    HG2  LYS  16           HG2      LYS  16 -10.090  -1.783   2.687
  127    HG3  LYS  16           HG1      LYS  16  -8.637  -0.865   2.280
  128    HD2  LYS  16           HD2      LYS  16  -8.637   0.215   4.418
  129    HD3  LYS  16           HD1      LYS  16 -10.216  -0.462   4.817
  130    HE2  LYS  16           HE2      LYS  16  -8.442  -1.658   5.973
  131    HE3  LYS  16           HE1      LYS  16  -9.251  -2.710   4.816
  132    HZ1  LYS  16           HZ1      LYS  16  -6.849  -2.965   4.759
  133    HZ2  LYS  16           HZ2      LYS  16  -6.661  -1.334   4.364
  134    HZ3  LYS  16           HZ3      LYS  16  -7.430  -2.384   3.282
  135    H    LEU  17           HN       LEU  17 -10.110   2.210  -0.174
  136    HA   LEU  17           HA       LEU  17  -7.618   1.424  -1.241
  137    HB2  LEU  17           HB2      LEU  17  -9.909   3.033  -2.251
  138    HB3  LEU  17           HB1      LEU  17  -8.382   3.143  -3.105
  139    HG   LEU  17           HG       LEU  17  -9.732   1.528  -4.222
  140   HD11  LEU  17          HD11      LEU  17  -8.360  -0.460  -4.105
  141   HD12  LEU  17          HD12      LEU  17  -7.700   0.060  -2.555
  142   HD13  LEU  17          HD13      LEU  17  -7.356   0.986  -4.015
  143   HD21  LEU  17          HD21      LEU  17 -10.015   0.059  -1.609
  144   HD22  LEU  17          HD22      LEU  17 -10.701  -0.398  -3.168
  145   HD23  LEU  17          HD23      LEU  17 -11.264   1.061  -2.353
  146    H    ALA  18           HN       ALA  18  -8.853   4.509  -0.062
  147    HA   ALA  18           HA       ALA  18  -6.692   6.115  -0.825
  148    HB1  ALA  18           HB1      ALA  18  -8.440   6.403   1.608
  149    HB2  ALA  18           HB2      ALA  18  -8.835   6.990  -0.006
  150    HB3  ALA  18           HB3      ALA  18  -7.463   7.671   0.868
  151    H    ALA  19           HN       ALA  19  -7.295   4.201   2.068
  152    HA   ALA  19           HA       ALA  19  -4.955   4.781   3.476
  153    HB1  ALA  19           HB1      ALA  19  -6.509   2.202   3.416
  154    HB2  ALA  19           HB2      ALA  19  -6.852   3.589   4.450
  155    HB3  ALA  19           HB3      ALA  19  -5.352   2.685   4.653
  156    H    TYR  20           HN       TYR  20  -5.669   2.188   1.165
  157    HA   TYR  20           HA       TYR  20  -3.140   0.992   1.213
  158    HB2  TYR  20           HB2      TYR  20  -4.938  -0.230   0.234
  159    HB3  TYR  20           HB1      TYR  20  -5.268   1.057  -0.918
  160    HD1  TYR  20           HD1      TYR  20  -4.396   0.921  -3.050
  161    HD2  TYR  20           HD2      TYR  20  -2.561  -1.314   0.058
  162    HE1  TYR  20           HE1      TYR  20  -2.923  -0.147  -4.700
  163    HE2  TYR  20           HE2      TYR  20  -1.079  -2.395  -1.587
  164    HH   TYR  20           HH       TYR  20  -0.858  -1.297  -4.853
  165    H    GLU  21           HN       GLU  21  -4.470   3.468  -0.971
  166    HA   GLU  21           HA       GLU  21  -2.197   3.681  -2.596
  167    HB2  GLU  21           HB2      GLU  21  -4.355   5.686  -1.947
  168    HB3  GLU  21           HB1      GLU  21  -3.090   5.993  -3.123
  169    HG2  GLU  21           HG2      GLU  21  -3.871   3.910  -4.326
  170    HG3  GLU  21           HG1      GLU  21  -5.263   3.922  -3.242
  171    H    LYS  22           HN       LYS  22  -2.980   5.144   0.490
  172    HA   LYS  22           HA       LYS  22  -0.823   6.994   0.479
  173    HB2  LYS  22           HB2      LYS  22  -2.765   7.299   1.935
  174    HB3  LYS  22           HB1      LYS  22  -2.367   5.820   2.798
  175    HG2  LYS  22           HG2      LYS  22  -1.698   7.795   4.051
  176    HG3  LYS  22           HG1      LYS  22  -0.303   6.822   3.596
  177    HD2  LYS  22           HD2      LYS  22   0.095   8.345   1.690
  178    HD3  LYS  22           HD1      LYS  22  -1.259   9.338   2.232
  179    HE2  LYS  22           HE2      LYS  22   1.261   8.772   3.791
  180    HE3  LYS  22           HE1      LYS  22   0.878  10.272   2.952
  181    HZ1  LYS  22           HZ1      LYS  22  -1.095  10.454   4.424
  182    HZ2  LYS  22           HZ2      LYS  22   0.382  10.561   5.234
  183    HZ3  LYS  22           HZ3      LYS  22  -0.515   9.130   5.308
  184    H    GLU  23           HN       GLU  23  -1.272   3.737   1.782
  185    HA   GLU  23           HA       GLU  23   1.350   3.527   2.869
  186    HB2  GLU  23           HB2      GLU  23  -0.640   1.393   2.070
  187    HB3  GLU  23           HB1      GLU  23   0.844   1.084   2.962
  188    HG2  GLU  23           HG2      GLU  23  -1.404   2.854   3.911
  189    HG3  GLU  23           HG1      GLU  23  -1.152   1.173   4.396
  190    H    LEU  24           HN       LEU  24  -0.107   2.842  -0.215
  191    HA   LEU  24           HA       LEU  24   2.015   1.427  -1.419
  192    HB2  LEU  24           HB2      LEU  24  -0.303   1.555  -2.313
  193    HB3  LEU  24           HB1      LEU  24  -0.025   3.236  -2.726
  194    HG   LEU  24           HG       LEU  24   1.775   2.537  -4.279
  195   HD11  LEU  24          HD11      LEU  24   2.383   0.439  -3.198
  196   HD12  LEU  24          HD12      LEU  24   1.976   0.188  -4.896
  197   HD13  LEU  24          HD13      LEU  24   0.819  -0.249  -3.637
  198   HD21  LEU  24          HD21      LEU  24   0.305   1.691  -6.006
  199   HD22  LEU  24          HD22      LEU  24  -0.526   2.921  -5.052
  200   HD23  LEU  24          HD23      LEU  24  -0.883   1.214  -4.795
  201    H    ALA  25           HN       ALA  25   1.174   4.869  -1.381
  202    HA   ALA  25           HA       ALA  25   3.254   5.789  -2.997
  203    HB1  ALA  25           HB1      ALA  25   1.326   7.147  -2.341
  204    HB2  ALA  25           HB2      ALA  25   2.848   7.965  -1.985
  205    HB3  ALA  25           HB3      ALA  25   1.933   7.199  -0.686
  206    H    ALA  26           HN       ALA  26   3.103   5.167   0.463
  207    HA   ALA  26           HA       ALA  26   5.714   6.110   1.055
  208    HB1  ALA  26           HB1      ALA  26   3.991   4.152   2.557
  209    HB2  ALA  26           HB2      ALA  26   4.002   5.902   2.771
  210    HB3  ALA  26           HB3      ALA  26   5.430   4.954   3.185
  211    H    TYR  27           HN       TYR  27   4.351   2.945   0.304
  212    HA   TYR  27           HA       TYR  27   6.681   1.438   0.737
  213    HB2  TYR  27           HB2      TYR  27   4.606   0.271   0.600
  214    HB3  TYR  27           HB1      TYR  27   4.257   0.946  -0.994
  215    HD1  TYR  27           HD1      TYR  27   4.903  -0.187  -2.922
  216    HD2  TYR  27           HD2      TYR  27   6.589  -1.305   0.808
  217    HE1  TYR  27           HE1      TYR  27   5.962  -2.129  -3.994
  218    HE2  TYR  27           HE2      TYR  27   7.656  -3.257  -0.246
  219    HH   TYR  27           HH       TYR  27   7.430  -4.656  -2.176
  220    H    GLU  28           HN       GLU  28   5.341   2.836  -2.238
  221    HA   GLU  28           HA       GLU  28   7.361   1.912  -3.955
  222    HB2  GLU  28           HB2      GLU  28   5.558   4.335  -4.148
  223    HB3  GLU  28           HB1      GLU  28   6.599   3.786  -5.452
  224    HG2  GLU  28           HG2      GLU  28   4.464   2.066  -4.203
  225    HG3  GLU  28           HG1      GLU  28   4.203   3.085  -5.619
  226    H    LYS  29           HN       LYS  29   7.126   4.732  -1.902
  227    HA   LYS  29           HA       LYS  29   9.380   6.133  -2.866
  228    HB2  LYS  29           HB2      LYS  29   7.608   7.102  -1.395
  229    HB3  LYS  29           HB1      LYS  29   8.219   6.125  -0.070
  230    HG2  LYS  29           HG2      LYS  29   9.045   8.373   0.151
  231    HG3  LYS  29           HG1      LYS  29  10.382   7.290  -0.236
  232    HD2  LYS  29           HD2      LYS  29  10.293   7.997  -2.575
  233    HD3  LYS  29           HD1      LYS  29   8.930   9.059  -2.212
  234    HE2  LYS  29           HE2      LYS  29  10.998  10.329  -2.308
  235    HE3  LYS  29           HE1      LYS  29  10.343  10.335  -0.671
  236    HZ1  LYS  29           HZ1      LYS  29  12.722   9.970  -0.661
  237    HZ2  LYS  29           HZ2      LYS  29  12.552   8.606  -1.643
  238    HZ3  LYS  29           HZ3      LYS  29  11.922   8.602  -0.076
  239    H    GLU  30           HN       GLU  30   8.960   3.976  -0.068
  240    HA   GLU  30           HA       GLU  30  11.689   3.962   0.667
  241    HB2  GLU  30           HB2      GLU  30   9.522   1.940   1.277
  242    HB3  GLU  30           HB1      GLU  30  11.080   2.031   2.077
  243    HG2  GLU  30           HG2      GLU  30  10.522   4.262   2.917
  244    HG3  GLU  30           HG1      GLU  30   8.949   4.150   2.126
  245    H    LEU  31           HN       LEU  31   9.800   2.016  -1.525
  246    HA   LEU  31           HA       LEU  31  11.595  -0.117  -1.879
  247    HB2  LEU  31           HB2      LEU  31   9.198  -0.009  -2.668
  248    HB3  LEU  31           HB1      LEU  31   9.742   1.028  -3.972
  249    HG   LEU  31           HG       LEU  31  11.230  -0.815  -4.746
  250   HD11  LEU  31          HD11      LEU  31   9.726  -2.390  -2.665
  251   HD12  LEU  31          HD12      LEU  31  11.450  -2.016  -2.653
  252   HD13  LEU  31          HD13      LEU  31  10.785  -3.072  -3.899
  253   HD21  LEU  31          HD21      LEU  31   8.288  -1.430  -4.565
  254   HD22  LEU  31          HD22      LEU  31   9.419  -2.138  -5.719
  255   HD23  LEU  31          HD23      LEU  31   9.067  -0.410  -5.774
  256    H    ALA  32           HN       ALA  32  11.339   3.032  -3.425
  257    HA   ALA  32           HA       ALA  32  13.221   2.630  -5.467
  258    HB1  ALA  32           HB1      ALA  32  13.285   5.069  -5.619
  259    HB2  ALA  32           HB2      ALA  32  12.432   5.184  -4.080
  260    HB3  ALA  32           HB3      ALA  32  11.634   4.467  -5.479
  261    H    ALA  33           HN       ALA  33  13.583   3.387  -2.090
  262    HA   ALA  33           HA       ALA  33  16.379   4.084  -2.336
  263    HB1  ALA  33           HB1      ALA  33  16.297   4.273   0.113
  264    HB2  ALA  33           HB2      ALA  33  14.642   3.663   0.089
  265    HB3  ALA  33           HB3      ALA  33  15.023   5.207  -0.671
  266    H    TYR  34           HN       TYR  34  14.498   1.271  -1.917
  267    HA   TYR  34           HA       TYR  34  16.416  -0.303  -0.492
  268    HB2  TYR  34           HB2      TYR  34  13.995  -0.761  -0.396
  269    HB3  TYR  34           HB1      TYR  34  13.998  -1.132  -2.115
  270    HD1  TYR  34           HD1      TYR  34  15.445  -2.220   1.129
  271    HD2  TYR  34           HD2      TYR  34  14.385  -3.315  -2.839
  272    HE1  TYR  34           HE1      TYR  34  15.908  -4.578   1.666
  273    HE2  TYR  34           HE2      TYR  34  14.843  -5.675  -2.318
  274    HH   TYR  34           HH       TYR  34  16.184  -6.974  -0.716
  275    HN1  NH2  35           HN1      NH2  35  18.215  -1.073  -1.331
  276    HN2  NH2  35           HN2      NH2  35  18.484  -1.495  -2.984
  Start of MODEL   17
    1    H1   ACE   0           HA1      ACE   0  15.250  -0.788   4.945
    2    H2   ACE   0           HA2      ACE   0  14.211  -1.211   3.587
    3    H3   ACE   0           HA3      ACE   0  15.726  -2.086   3.809
    4    HA   PRO   1           HA       PRO   1  13.771  -3.762   2.618
    5    HB2  PRO   1           HB2      PRO   1  12.482  -6.163   3.194
    6    HB3  PRO   1           HB1      PRO   1  14.169  -6.021   2.669
    7    HG2  PRO   1           HG2      PRO   1  13.068  -6.355   5.408
    8    HG3  PRO   1           HG1      PRO   1  14.521  -7.062   4.673
    9    HD2  PRO   1           HD2      PRO   1  14.711  -5.002   6.375
   10    HD3  PRO   1           HD1      PRO   1  15.776  -5.123   4.955
   11    HA   PRO   2           HA       PRO   2   9.759  -2.072   3.725
   12    HB2  PRO   2           HB2      PRO   2   9.095  -1.235   1.223
   13    HB3  PRO   2           HB1      PRO   2  10.215  -0.338   2.268
   14    HG2  PRO   2           HG2      PRO   2  10.796  -2.159  -0.006
   15    HG3  PRO   2           HG1      PRO   2  11.587  -0.637   0.454
   16    HD2  PRO   2           HD2      PRO   2  12.630  -3.101   0.997
   17    HD3  PRO   2           HD1      PRO   2  12.960  -1.662   1.982
   18    H    LYS   3           HN       LYS   3   7.783  -2.976   3.742
   19    HA   LYS   3           HA       LYS   3   7.422  -5.393   2.128
   20    HB2  LYS   3           HB2      LYS   3   5.872  -4.470   4.555
   21    HB3  LYS   3           HB1      LYS   3   5.722  -6.030   3.765
   22    HG2  LYS   3           HG2      LYS   3   8.132  -4.993   5.237
   23    HG3  LYS   3           HG1      LYS   3   7.012  -6.241   5.785
   24    HD2  LYS   3           HD2      LYS   3   7.669  -7.629   3.850
   25    HD3  LYS   3           HD1      LYS   3   8.840  -6.392   3.392
   26    HE2  LYS   3           HE2      LYS   3   9.972  -8.140   4.598
   27    HE3  LYS   3           HE1      LYS   3   9.946  -6.678   5.580
   28    HZ1  LYS   3           HZ1      LYS   3   8.088  -7.596   6.828
   29    HZ2  LYS   3           HZ2      LYS   3   9.424  -8.629   6.896
   30    HZ3  LYS   3           HZ3      LYS   3   8.122  -9.002   5.888
   31    H    LYS   4           HN       LYS   4   5.705  -5.631   0.742
   32    HA   LYS   4           HA       LYS   4   4.367  -3.191  -0.055
   33    HB2  LYS   4           HB2      LYS   4   5.330  -4.791  -1.718
   34    HB3  LYS   4           HB1      LYS   4   4.151  -5.992  -1.197
   35    HG2  LYS   4           HG2      LYS   4   2.336  -4.555  -1.974
   36    HG3  LYS   4           HG1      LYS   4   3.512  -3.339  -2.483
   37    HD2  LYS   4           HD2      LYS   4   4.503  -4.952  -4.039
   38    HD3  LYS   4           HD1      LYS   4   3.323  -6.164  -3.536
   39    HE2  LYS   4           HE2      LYS   4   2.551  -5.222  -5.587
   40    HE3  LYS   4           HE1      LYS   4   1.522  -4.595  -4.302
   41    HZ1  LYS   4           HZ1      LYS   4   3.788  -3.152  -5.572
   42    HZ2  LYS   4           HZ2      LYS   4   2.820  -2.549  -4.327
   43    HZ3  LYS   4           HZ3      LYS   4   2.146  -2.857  -5.842
   44    HA   PRO   5           HA       PRO   5   0.851  -4.251   2.544
   45    HB2  PRO   5           HB2      PRO   5  -0.749  -2.195   1.691
   46    HB3  PRO   5           HB1      PRO   5   0.522  -2.004   2.914
   47    HG2  PRO   5           HG2      PRO   5   0.589  -1.349   0.013
   48    HG3  PRO   5           HG1      PRO   5   1.232  -0.436   1.394
   49    HD2  PRO   5           HD2      PRO   5   2.827  -1.924  -0.185
   50    HD3  PRO   5           HD1      PRO   5   3.123  -1.740   1.559
   51    H    LYS   6           HN       LYS   6  -1.202  -5.111   2.218
   52    HA   LYS   6           HA       LYS   6  -1.573  -6.244  -0.417
   53    HB2  LYS   6           HB2      LYS   6  -3.082  -6.662   2.169
   54    HB3  LYS   6           HB1      LYS   6  -3.318  -7.598   0.698
   55    HG2  LYS   6           HG2      LYS   6  -1.053  -8.437   0.832
   56    HG3  LYS   6           HG1      LYS   6  -0.743  -7.436   2.252
   57    HD2  LYS   6           HD2      LYS   6  -2.442  -8.649   3.497
   58    HD3  LYS   6           HD1      LYS   6  -2.807  -9.626   2.074
   59    HE2  LYS   6           HE2      LYS   6  -0.517 -10.507   2.106
   60    HE3  LYS   6           HE1      LYS   6  -0.172  -9.543   3.541
   61    HZ1  LYS   6           HZ1      LYS   6  -2.234 -11.672   3.369
   62    HZ2  LYS   6           HZ2      LYS   6  -1.842 -10.775   4.748
   63    HZ3  LYS   6           HZ3      LYS   6  -0.712 -11.840   4.086
   64    H    LYS   7           HN       LYS   7  -2.956  -5.535  -1.877
   65    HA   LYS   7           HA       LYS   7  -4.486  -3.164  -1.345
   66    HB2  LYS   7           HB2      LYS   7  -3.258  -3.503  -3.477
   67    HB3  LYS   7           HB1      LYS   7  -4.326  -4.846  -3.855
   68    HG2  LYS   7           HG2      LYS   7  -6.235  -3.342  -3.943
   69    HG3  LYS   7           HG1      LYS   7  -5.191  -1.979  -3.503
   70    HD2  LYS   7           HD2      LYS   7  -3.926  -2.232  -5.540
   71    HD3  LYS   7           HD1      LYS   7  -4.819  -3.694  -5.957
   72    HE2  LYS   7           HE2      LYS   7  -6.848  -2.444  -6.250
   73    HE3  LYS   7           HE1      LYS   7  -6.085  -0.979  -5.627
   74    HZ1  LYS   7           HZ1      LYS   7  -5.261  -2.391  -8.106
   75    HZ2  LYS   7           HZ2      LYS   7  -4.651  -0.920  -7.532
   76    HZ3  LYS   7           HZ3      LYS   7  -6.252  -1.021  -8.060
   77    HA   PRO   8           HA       PRO   8  -8.216  -5.375  -0.156
   78    HB2  PRO   8           HB2      PRO   8  -9.364  -2.670  -0.590
   79    HB3  PRO   8           HB1      PRO   8  -9.449  -3.710   0.843
   80    HG2  PRO   8           HG2      PRO   8  -7.924  -1.550   0.815
   81    HG3  PRO   8           HG1      PRO   8  -7.409  -3.040   1.628
   82    HD2  PRO   8           HD2      PRO   8  -6.527  -1.917  -0.992
   83    HD3  PRO   8           HD1      PRO   8  -5.586  -2.764   0.259
   84    H    GLY   9           HN       GLY   9  -9.612  -6.429  -1.427
   85    HA2  GLY   9           HA2      GLY   9 -10.440  -5.169  -3.956
   86    HA3  GLY   9           HA1      GLY   9  -9.901  -6.839  -3.918
   87    H    ASP  10           HN       ASP  10 -11.124  -7.730  -1.615
   88    HA   ASP  10           HA       ASP  10 -13.819  -8.095  -2.563
   89    HB2  ASP  10           HB2      ASP  10 -12.638 -10.000  -1.631
   90    HB3  ASP  10           HB1      ASP  10 -12.401  -9.152  -0.108
   91    H    ASN  11           HN       ASN  11 -15.320  -6.621  -2.205
   92    HA   ASN  11           HA       ASN  11 -16.590  -4.983  -1.254
   93    HB2  ASN  11           HB2      ASN  11 -15.735  -6.481   1.217
   94    HB3  ASN  11           HB1      ASN  11 -16.821  -5.098   1.290
   95   HD21  ASN  11          HD21      ASN  11 -18.911  -5.292   0.396
   96   HD22  ASN  11          HD22      ASN  11 -19.601  -6.839   0.049
   97    H    ALA  12           HN       ALA  12 -14.054  -4.220  -2.010
   98    HA   ALA  12           HA       ALA  12 -12.751  -2.772   0.106
   99    HB1  ALA  12           HB1      ALA  12 -12.277  -2.695  -2.867
  100    HB2  ALA  12           HB2      ALA  12 -11.463  -3.758  -1.718
  101    HB3  ALA  12           HB3      ALA  12 -11.227  -2.014  -1.627
  102    H    THR  13           HN       THR  13 -12.955  -0.680   0.621
  103    HA   THR  13           HA       THR  13 -14.872   0.919  -0.904
  104    HB   THR  13           HB       THR  13 -14.874   2.406   1.077
  105    HG1  THR  13           HG1      THR  13 -13.833   1.541   2.993
  106   HG21  THR  13          HG21      THR  13 -16.533   0.627   0.883
  107   HG22  THR  13          HG22      THR  13 -16.083   0.887   2.567
  108   HG23  THR  13          HG23      THR  13 -15.435  -0.494   1.685
  109    HA   PRO  14           HA       PRO  14 -11.735   3.606  -2.614
  110    HB2  PRO  14           HB2      PRO  14 -13.609   5.767  -1.744
  111    HB3  PRO  14           HB1      PRO  14 -12.855   5.504  -3.330
  112    HG2  PRO  14           HG2      PRO  14 -15.391   4.928  -2.979
  113    HG3  PRO  14           HG1      PRO  14 -14.340   3.846  -3.919
  114    HD2  PRO  14           HD2      PRO  14 -15.375   3.503  -1.132
  115    HD3  PRO  14           HD1      PRO  14 -15.126   2.288  -2.400
  116    H    GLU  15           HN       GLU  15 -13.235   4.341   0.487
  117    HA   GLU  15           HA       GLU  15 -11.285   6.121   1.465
  118    HB2  GLU  15           HB2      GLU  15 -13.604   5.744   2.396
  119    HB3  GLU  15           HB1      GLU  15 -13.004   4.252   3.102
  120    HG2  GLU  15           HG2      GLU  15 -13.029   5.982   4.760
  121    HG3  GLU  15           HG1      GLU  15 -11.363   5.552   4.384
  122    H    LYS  16           HN       LYS  16 -11.556   2.613   1.500
  123    HA   LYS  16           HA       LYS  16  -9.305   2.243   3.237
  124    HB2  LYS  16           HB2      LYS  16 -11.204   0.628   3.075
  125    HB3  LYS  16           HB1      LYS  16 -10.667   0.227   1.448
  126    HG2  LYS  16           HG2      LYS  16  -9.867  -1.457   2.945
  127    HG3  LYS  16           HG1      LYS  16  -8.492  -0.496   2.406
  128    HD2  LYS  16           HD2      LYS  16  -8.316  -0.935   4.781
  129    HD3  LYS  16           HD1      LYS  16  -8.591   0.785   4.507
  130    HE2  LYS  16           HE2      LYS  16  -9.934  -0.063   6.369
  131    HE3  LYS  16           HE1      LYS  16 -10.946   0.516   5.049
  132    HZ1  LYS  16           HZ1      LYS  16 -11.229  -1.787   4.328
  133    HZ2  LYS  16           HZ2      LYS  16 -11.779  -1.564   5.908
  134    HZ3  LYS  16           HZ3      LYS  16 -10.294  -2.325   5.631
  135    H    LEU  17           HN       LEU  17  -9.917   2.238  -0.219
  136    HA   LEU  17           HA       LEU  17  -7.344   1.389  -1.007
  137    HB2  LEU  17           HB2      LEU  17  -9.571   2.818  -2.353
  138    HB3  LEU  17           HB1      LEU  17  -7.982   2.922  -3.087
  139    HG   LEU  17           HG       LEU  17  -9.184   1.154  -4.153
  140   HD11  LEU  17          HD11      LEU  17  -7.742  -0.750  -3.759
  141   HD12  LEU  17          HD12      LEU  17  -7.214  -0.062  -2.226
  142   HD13  LEU  17          HD13      LEU  17  -6.808   0.744  -3.742
  143   HD21  LEU  17          HD21      LEU  17  -9.604  -0.075  -1.436
  144   HD22  LEU  17          HD22      LEU  17 -10.122  -0.738  -2.985
  145   HD23  LEU  17          HD23      LEU  17 -10.838   0.758  -2.384
  146    H    ALA  18           HN       ALA  18  -8.678   4.523  -0.161
  147    HA   ALA  18           HA       ALA  18  -6.466   6.104  -0.821
  148    HB1  ALA  18           HB1      ALA  18  -8.659   7.015  -0.204
  149    HB2  ALA  18           HB2      ALA  18  -7.360   7.718   0.763
  150    HB3  ALA  18           HB3      ALA  18  -8.405   6.475   1.455
  151    H    ALA  19           HN       ALA  19  -7.256   4.241   2.059
  152    HA   ALA  19           HA       ALA  19  -5.002   4.906   3.591
  153    HB1  ALA  19           HB1      ALA  19  -5.502   2.897   4.867
  154    HB2  ALA  19           HB2      ALA  19  -6.579   2.342   3.586
  155    HB3  ALA  19           HB3      ALA  19  -6.978   3.792   4.507
  156    H    TYR  20           HN       TYR  20  -5.598   2.255   1.311
  157    HA   TYR  20           HA       TYR  20  -3.089   1.022   1.543
  158    HB2  TYR  20           HB2      TYR  20  -4.879  -0.160   0.454
  159    HB3  TYR  20           HB1      TYR  20  -5.036   1.098  -0.764
  160    HD1  TYR  20           HD1      TYR  20  -2.693  -1.489   0.510
  161    HD2  TYR  20           HD2      TYR  20  -3.827   0.971  -2.767
  162    HE1  TYR  20           HE1      TYR  20  -1.128  -2.711  -0.947
  163    HE2  TYR  20           HE2      TYR  20  -2.263  -0.243  -4.230
  164    HH   TYR  20           HH       TYR  20  -0.831  -3.185  -3.341
  165    H    GLU  21           HN       GLU  21  -4.252   3.494  -0.733
  166    HA   GLU  21           HA       GLU  21  -1.840   3.715  -2.162
  167    HB2  GLU  21           HB2      GLU  21  -4.107   5.664  -1.775
  168    HB3  GLU  21           HB1      GLU  21  -2.735   5.993  -2.819
  169    HG2  GLU  21           HG2      GLU  21  -3.305   3.895  -4.077
  170    HG3  GLU  21           HG1      GLU  21  -4.783   3.811  -3.117
  171    H    LYS  22           HN       LYS  22  -2.848   5.036   0.884
  172    HA   LYS  22           HA       LYS  22  -0.792   6.986   1.107
  173    HB2  LYS  22           HB2      LYS  22  -2.804   7.031   2.512
  174    HB3  LYS  22           HB1      LYS  22  -2.319   5.522   3.266
  175    HG2  LYS  22           HG2      LYS  22  -1.819   7.361   4.729
  176    HG3  LYS  22           HG1      LYS  22  -0.317   6.634   4.156
  177    HD2  LYS  22           HD2      LYS  22  -0.038   8.415   2.532
  178    HD3  LYS  22           HD1      LYS  22  -1.589   9.116   2.996
  179    HE2  LYS  22           HE2      LYS  22   0.881   8.876   4.711
  180    HE3  LYS  22           HE1      LYS  22   0.196  10.354   4.040
  181    HZ1  LYS  22           HZ1      LYS  22  -0.417  10.143   6.334
  182    HZ2  LYS  22           HZ2      LYS  22  -1.060   8.603   6.078
  183    HZ3  LYS  22           HZ3      LYS  22  -1.801   9.954   5.382
  184    H    GLU  23           HN       GLU  23  -1.145   3.651   2.273
  185    HA   GLU  23           HA       GLU  23   1.468   3.403   3.326
  186    HB2  GLU  23           HB2      GLU  23  -0.432   1.303   2.244
  187    HB3  GLU  23           HB1      GLU  23   1.056   0.937   3.109
  188    HG2  GLU  23           HG2      GLU  23   0.205   1.973   5.107
  189    HG3  GLU  23           HG1      GLU  23  -1.248   2.506   4.252
  190    H    LEU  24           HN       LEU  24   0.063   2.899   0.178
  191    HA   LEU  24           HA       LEU  24   2.246   1.662  -1.086
  192    HB2  LEU  24           HB2      LEU  24  -0.133   1.817  -1.927
  193    HB3  LEU  24           HB1      LEU  24   0.220   3.472  -2.394
  194    HG   LEU  24           HG       LEU  24   2.044   2.607  -3.868
  195   HD11  LEU  24          HD11      LEU  24   0.808  -0.074  -3.262
  196   HD12  LEU  24          HD12      LEU  24   2.387   0.473  -2.700
  197   HD13  LEU  24          HD13      LEU  24   2.091   0.255  -4.424
  198   HD21  LEU  24          HD21      LEU  24  -0.715   1.535  -4.428
  199   HD22  LEU  24          HD22      LEU  24   0.548   1.842  -5.619
  200   HD23  LEU  24          HD23      LEU  24  -0.171   3.184  -4.730
  201    H    ALA  25           HN       ALA  25   1.346   5.049  -0.671
  202    HA   ALA  25           HA       ALA  25   3.244   6.195  -2.361
  203    HB1  ALA  25           HB1      ALA  25   2.885   8.239  -1.107
  204    HB2  ALA  25           HB2      ALA  25   2.145   7.322   0.205
  205    HB3  ALA  25           HB3      ALA  25   1.353   7.405  -1.368
  206    H    ALA  26           HN       ALA  26   3.449   5.285   1.041
  207    HA   ALA  26           HA       ALA  26   6.120   6.201   1.401
  208    HB1  ALA  26           HB1      ALA  26   4.492   4.212   2.972
  209    HB2  ALA  26           HB2      ALA  26   4.660   5.936   3.302
  210    HB3  ALA  26           HB3      ALA  26   6.050   4.867   3.474
  211    H    TYR  27           HN       TYR  27   4.632   3.130   0.568
  212    HA   TYR  27           HA       TYR  27   6.945   1.540   0.722
  213    HB2  TYR  27           HB2      TYR  27   4.855   0.421   0.724
  214    HB3  TYR  27           HB1      TYR  27   4.349   1.210  -0.770
  215    HD1  TYR  27           HD1      TYR  27   6.761  -1.235   0.613
  216    HD2  TYR  27           HD2      TYR  27   4.777   0.226  -2.842
  217    HE1  TYR  27           HE1      TYR  27   7.640  -3.135  -0.681
  218    HE2  TYR  27           HE2      TYR  27   5.634  -1.668  -4.150
  219    HH   TYR  27           HH       TYR  27   7.483  -3.271  -4.075
  220    H    GLU  28           HN       GLU  28   5.401   3.156  -2.048
  221    HA   GLU  28           HA       GLU  28   7.172   2.235  -4.019
  222    HB2  GLU  28           HB2      GLU  28   5.634   4.842  -3.886
  223    HB3  GLU  28           HB1      GLU  28   6.427   4.226  -5.325
  224    HG2  GLU  28           HG2      GLU  28   4.285   2.677  -3.889
  225    HG3  GLU  28           HG1      GLU  28   3.923   3.871  -5.136
  226    H    LYS  29           HN       LYS  29   7.370   4.873  -1.748
  227    HA   LYS  29           HA       LYS  29   9.648   6.162  -2.824
  228    HB2  LYS  29           HB2      LYS  29   8.129   7.227  -1.203
  229    HB3  LYS  29           HB1      LYS  29   8.633   6.077   0.025
  230    HG2  LYS  29           HG2      LYS  29  10.890   6.960  -0.027
  231    HG3  LYS  29           HG1      LYS  29  10.447   8.074  -1.319
  232    HD2  LYS  29           HD2      LYS  29  10.477   9.239   0.806
  233    HD3  LYS  29           HD1      LYS  29   8.825   9.152   0.200
  234    HE2  LYS  29           HE2      LYS  29   8.803   8.680   2.550
  235    HE3  LYS  29           HE1      LYS  29   8.447   7.191   1.681
  236    HZ1  LYS  29           HZ1      LYS  29  11.064   7.945   2.864
  237    HZ2  LYS  29           HZ2      LYS  29  10.776   6.538   1.975
  238    HZ3  LYS  29           HZ3      LYS  29   9.998   6.774   3.458
  239    H    GLU  30           HN       GLU  30   9.271   3.868  -0.123
  240    HA   GLU  30           HA       GLU  30  12.043   3.608   0.371
  241    HB2  GLU  30           HB2      GLU  30   9.778   1.738   1.078
  242    HB3  GLU  30           HB1      GLU  30  11.410   1.629   1.712
  243    HG2  GLU  30           HG2      GLU  30  11.154   3.835   2.742
  244    HG3  GLU  30           HG1      GLU  30   9.504   3.915   2.123
  245    H    LEU  31           HN       LEU  31   9.832   1.944  -1.750
  246    HA   LEU  31           HA       LEU  31  11.422  -0.304  -2.339
  247    HB2  LEU  31           HB2      LEU  31   8.994  -0.036  -2.917
  248    HB3  LEU  31           HB1      LEU  31   9.469   1.079  -4.186
  249    HG   LEU  31           HG       LEU  31  10.775  -0.742  -5.248
  250   HD11  LEU  31          HD11      LEU  31  10.350  -3.051  -4.519
  251   HD12  LEU  31          HD12      LEU  31   9.474  -2.432  -3.119
  252   HD13  LEU  31          HD13      LEU  31  11.198  -2.108  -3.293
  253   HD21  LEU  31          HD21      LEU  31   7.860  -1.338  -4.784
  254   HD22  LEU  31          HD22      LEU  31   8.841  -1.925  -6.129
  255   HD23  LEU  31          HD23      LEU  31   8.507  -0.200  -5.965
  256    H    ALA  32           HN       ALA  32  11.205   2.890  -3.829
  257    HA   ALA  32           HA       ALA  32  13.023   2.446  -5.916
  258    HB1  ALA  32           HB1      ALA  32  12.422   5.008  -4.454
  259    HB2  ALA  32           HB2      ALA  32  11.531   4.368  -5.833
  260    HB3  ALA  32           HB3      ALA  32  13.209   4.872  -6.027
  261    H    ALA  33           HN       ALA  33  13.464   3.367  -2.560
  262    HA   ALA  33           HA       ALA  33  16.253   3.895  -2.760
  263    HB1  ALA  33           HB1      ALA  33  16.206   3.959  -0.337
  264    HB2  ALA  33           HB2      ALA  33  14.601   3.230  -0.334
  265    HB3  ALA  33           HB3      ALA  33  14.833   4.844  -1.004
  266    H    TYR  34           HN       TYR  34  14.332   1.043  -2.248
  267    HA   TYR  34           HA       TYR  34  16.510  -0.534  -1.211
  268    HB2  TYR  34           HB2      TYR  34  14.091  -0.907  -0.614
  269    HB3  TYR  34           HB1      TYR  34  13.834  -1.486  -2.256
  270    HD1  TYR  34           HD1      TYR  34  14.068  -3.755  -2.699
  271    HD2  TYR  34           HD2      TYR  34  15.972  -2.115   0.732
  272    HE1  TYR  34           HE1      TYR  34  14.741  -6.017  -2.002
  273    HE2  TYR  34           HE2      TYR  34  16.654  -4.374   1.440
  274    HH   TYR  34           HH       TYR  34  16.503  -7.061  -0.597
  275    HN1  NH2  35           HN1      NH2  35  14.910  -0.053  -4.284
  276    HN2  NH2  35           HN2      NH2  35  16.001  -1.004  -5.226
  Start of MODEL   18
    1    H1   ACE   0           HA1      ACE   0  15.767  -2.673   2.760
    2    H2   ACE   0           HA2      ACE   0  15.823  -1.494   4.067
    3    H3   ACE   0           HA3      ACE   0  14.375  -1.592   3.069
    4    HA   PRO   1           HA       PRO   1  13.609  -4.129   1.985
    5    HB2  PRO   1           HB2      PRO   1  12.574  -6.631   3.192
    6    HB3  PRO   1           HB1      PRO   1  13.378  -6.391   1.631
    7    HG2  PRO   1           HG2      PRO   1  14.598  -7.610   3.654
    8    HG3  PRO   1           HG1      PRO   1  15.472  -6.563   2.518
    9    HD2  PRO   1           HD2      PRO   1  14.601  -5.988   5.316
   10    HD3  PRO   1           HD1      PRO   1  16.078  -5.484   4.469
   11    HA   PRO   2           HA       PRO   2   9.827  -2.694   3.973
   12    HB2  PRO   2           HB2      PRO   2   8.891  -1.344   1.799
   13    HB3  PRO   2           HB1      PRO   2  10.112  -0.680   2.896
   14    HG2  PRO   2           HG2      PRO   2  10.421  -1.789   0.187
   15    HG3  PRO   2           HG1      PRO   2  11.360  -0.537   1.020
   16    HD2  PRO   2           HD2      PRO   2  12.134  -3.197   0.665
   17    HD3  PRO   2           HD1      PRO   2  12.859  -2.043   1.800
   18    H    LYS   3           HN       LYS   3   7.739  -3.428   3.909
   19    HA   LYS   3           HA       LYS   3   7.284  -5.651   2.066
   20    HB2  LYS   3           HB2      LYS   3   6.057  -4.925   4.720
   21    HB3  LYS   3           HB1      LYS   3   5.438  -6.220   3.707
   22    HG2  LYS   3           HG2      LYS   3   7.645  -7.314   3.817
   23    HG3  LYS   3           HG1      LYS   3   8.185  -6.047   4.920
   24    HD2  LYS   3           HD2      LYS   3   6.557  -6.694   6.555
   25    HD3  LYS   3           HD1      LYS   3   5.809  -7.828   5.429
   26    HE2  LYS   3           HE2      LYS   3   7.903  -9.116   5.381
   27    HE3  LYS   3           HE1      LYS   3   8.595  -8.007   6.562
   28    HZ1  LYS   3           HZ1      LYS   3   6.945  -8.679   8.153
   29    HZ2  LYS   3           HZ2      LYS   3   7.737 -10.052   7.567
   30    HZ3  LYS   3           HZ3      LYS   3   6.181  -9.674   7.018
   31    H    LYS   4           HN       LYS   4   5.688  -5.689   0.628
   32    HA   LYS   4           HA       LYS   4   4.393  -3.287  -0.133
   33    HB2  LYS   4           HB2      LYS   4   5.022  -5.099  -1.712
   34    HB3  LYS   4           HB1      LYS   4   3.822  -6.149  -0.962
   35    HG2  LYS   4           HG2      LYS   4   2.904  -5.326  -2.991
   36    HG3  LYS   4           HG1      LYS   4   2.067  -4.516  -1.667
   37    HD2  LYS   4           HD2      LYS   4   3.377  -2.524  -1.995
   38    HD3  LYS   4           HD1      LYS   4   4.383  -3.336  -3.195
   39    HE2  LYS   4           HE2      LYS   4   1.414  -2.865  -3.488
   40    HE3  LYS   4           HE1      LYS   4   2.664  -1.828  -4.178
   41    HZ1  LYS   4           HZ1      LYS   4   2.245  -4.699  -4.800
   42    HZ2  LYS   4           HZ2      LYS   4   3.471  -3.735  -5.443
   43    HZ3  LYS   4           HZ3      LYS   4   1.854  -3.398  -5.807
   44    HA   PRO   5           HA       PRO   5   1.092  -3.519   2.916
   45    HB2  PRO   5           HB2      PRO   5  -0.513  -1.666   1.590
   46    HB3  PRO   5           HB1      PRO   5   0.724  -1.274   2.798
   47    HG2  PRO   5           HG2      PRO   5   0.884  -1.174  -0.164
   48    HG3  PRO   5           HG1      PRO   5   1.589  -0.086   1.049
   49    HD2  PRO   5           HD2      PRO   5   3.095  -1.887  -0.215
   50    HD3  PRO   5           HD1      PRO   5   3.358  -1.505   1.499
   51    H    LYS   6           HN       LYS   6  -0.841  -4.538   3.051
   52    HA   LYS   6           HA       LYS   6  -1.638  -6.231   0.926
   53    HB2  LYS   6           HB2      LYS   6  -3.080  -5.505   3.483
   54    HB3  LYS   6           HB1      LYS   6  -3.513  -6.836   2.420
   55    HG2  LYS   6           HG2      LYS   6  -1.353  -7.890   2.870
   56    HG3  LYS   6           HG1      LYS   6  -0.930  -6.556   3.942
   57    HD2  LYS   6           HD2      LYS   6  -2.823  -7.103   5.380
   58    HD3  LYS   6           HD1      LYS   6  -3.269  -8.426   4.303
   59    HE2  LYS   6           HE2      LYS   6  -0.675  -8.200   5.829
   60    HE3  LYS   6           HE1      LYS   6  -2.044  -9.212   6.284
   61    HZ1  LYS   6           HZ1      LYS   6  -1.773 -10.423   4.195
   62    HZ2  LYS   6           HZ2      LYS   6  -0.376 -10.503   5.143
   63    HZ3  LYS   6           HZ3      LYS   6  -0.429  -9.473   3.806
   64    H    LYS   7           HN       LYS   7  -2.839  -5.721  -0.770
   65    HA   LYS   7           HA       LYS   7  -4.284  -3.230  -0.854
   66    HB2  LYS   7           HB2      LYS   7  -3.051  -4.022  -2.843
   67    HB3  LYS   7           HB1      LYS   7  -4.078  -5.449  -2.906
   68    HG2  LYS   7           HG2      LYS   7  -6.023  -4.062  -3.355
   69    HG3  LYS   7           HG1      LYS   7  -5.023  -2.605  -3.246
   70    HD2  LYS   7           HD2      LYS   7  -3.729  -3.303  -5.165
   71    HD3  LYS   7           HD1      LYS   7  -4.596  -4.837  -5.237
   72    HE2  LYS   7           HE2      LYS   7  -5.843  -2.112  -5.614
   73    HE3  LYS   7           HE1      LYS   7  -5.392  -3.207  -6.917
   74    HZ1  LYS   7           HZ1      LYS   7  -7.409  -3.756  -4.807
   75    HZ2  LYS   7           HZ2      LYS   7  -6.965  -4.826  -6.037
   76    HZ3  LYS   7           HZ3      LYS   7  -7.738  -3.370  -6.420
   77    HA   PRO   8           HA       PRO   8  -8.007  -5.171   0.764
   78    HB2  PRO   8           HB2      PRO   8  -9.167  -2.567  -0.028
   79    HB3  PRO   8           HB1      PRO   8  -9.159  -3.359   1.555
   80    HG2  PRO   8           HG2      PRO   8  -7.662  -1.214   1.056
   81    HG3  PRO   8           HG1      PRO   8  -7.132  -2.514   2.139
   82    HD2  PRO   8           HD2      PRO   8  -6.276  -1.923  -0.651
   83    HD3  PRO   8           HD1      PRO   8  -5.334  -2.550   0.722
   84    H    GLY   9           HN       GLY   9  -9.637  -6.217  -0.264
   85    HA2  GLY   9           HA2      GLY   9  -9.655  -6.195  -3.131
   86    HA3  GLY   9           HA1      GLY   9 -10.689  -7.163  -2.087
   87    H    ASP  10           HN       ASP  10 -12.076  -6.388  -4.062
   88    HA   ASP  10           HA       ASP  10 -13.072  -3.707  -3.922
   89    HB2  ASP  10           HB2      ASP  10 -14.130  -6.125  -5.397
   90    HB3  ASP  10           HB1      ASP  10 -14.740  -4.485  -5.585
   91    H    ASN  11           HN       ASN  11 -13.513  -6.346  -2.011
   92    HA   ASN  11           HA       ASN  11 -16.244  -5.934  -1.257
   93    HB2  ASN  11           HB2      ASN  11 -15.788  -7.397   0.617
   94    HB3  ASN  11           HB1      ASN  11 -15.019  -8.074  -0.812
   95   HD21  ASN  11          HD21      ASN  11 -12.758  -8.132  -0.920
   96   HD22  ASN  11          HD22      ASN  11 -11.757  -7.810   0.456
   97    H    ALA  12           HN       ALA  12 -13.374  -4.240  -0.746
   98    HA   ALA  12           HA       ALA  12 -14.324  -2.965   1.711
   99    HB1  ALA  12           HB1      ALA  12 -12.000  -3.759   1.673
  100    HB2  ALA  12           HB2      ALA  12 -12.096  -2.011   1.881
  101    HB3  ALA  12           HB3      ALA  12 -11.666  -2.691   0.312
  102    H    THR  13           HN       THR  13 -14.048  -0.578   1.821
  103    HA   THR  13           HA       THR  13 -15.381   0.612  -0.428
  104    HB   THR  13           HB       THR  13 -15.307   2.679   1.015
  105    HG1  THR  13           HG1      THR  13 -14.851   1.730   3.358
  106   HG21  THR  13          HG21      THR  13 -17.216   1.126   0.975
  107   HG22  THR  13          HG22      THR  13 -16.995   1.874   2.556
  108   HG23  THR  13          HG23      THR  13 -16.478   0.210   2.289
  109    HA   PRO  14           HA       PRO  14 -11.961   2.495  -2.580
  110    HB2  PRO  14           HB2      PRO  14 -13.552   5.017  -2.348
  111    HB3  PRO  14           HB1      PRO  14 -12.813   4.279  -3.785
  112    HG2  PRO  14           HG2      PRO  14 -15.400   4.104  -3.431
  113    HG3  PRO  14           HG1      PRO  14 -14.475   2.697  -4.002
  114    HD2  PRO  14           HD2      PRO  14 -15.584   3.235  -1.270
  115    HD3  PRO  14           HD1      PRO  14 -15.499   1.707  -2.170
  116    H    GLU  15           HN       GLU  15 -13.305   4.021   0.281
  117    HA   GLU  15           HA       GLU  15 -11.205   5.812   0.814
  118    HB2  GLU  15           HB2      GLU  15 -13.483   5.784   1.912
  119    HB3  GLU  15           HB1      GLU  15 -12.917   4.431   2.880
  120    HG2  GLU  15           HG2      GLU  15 -12.696   6.415   4.171
  121    HG3  GLU  15           HG1      GLU  15 -11.081   5.882   3.714
  122    H    LYS  16           HN       LYS  16 -11.613   2.389   1.437
  123    HA   LYS  16           HA       LYS  16  -9.344   2.217   3.191
  124    HB2  LYS  16           HB2      LYS  16 -11.380   0.667   3.195
  125    HB3  LYS  16           HB1      LYS  16 -10.685  -0.080   1.762
  126    HG2  LYS  16           HG2      LYS  16 -10.120  -1.385   3.704
  127    HG3  LYS  16           HG1      LYS  16  -8.658  -0.619   3.078
  128    HD2  LYS  16           HD2      LYS  16  -8.745   1.072   4.794
  129    HD3  LYS  16           HD1      LYS  16 -10.307   0.479   5.357
  130    HE2  LYS  16           HE2      LYS  16  -8.549  -0.267   6.842
  131    HE3  LYS  16           HE1      LYS  16  -9.247  -1.647   6.000
  132    HZ1  LYS  16           HZ1      LYS  16  -6.689  -0.300   5.310
  133    HZ2  LYS  16           HZ2      LYS  16  -7.361  -1.607   4.477
  134    HZ3  LYS  16           HZ3      LYS  16  -6.848  -1.799   6.073
  135    H    LEU  17           HN       LEU  17 -10.033   1.754  -0.206
  136    HA   LEU  17           HA       LEU  17  -7.486   0.753  -0.932
  137    HB2  LEU  17           HB2      LEU  17  -9.725   2.043  -2.423
  138    HB3  LEU  17           HB1      LEU  17  -8.160   1.907  -3.203
  139    HG   LEU  17           HG       LEU  17  -9.509   0.064  -3.909
  140   HD11  LEU  17          HD11      LEU  17  -8.164  -1.825  -3.227
  141   HD12  LEU  17          HD12      LEU  17  -7.553  -0.920  -1.845
  142   HD13  LEU  17          HD13      LEU  17  -7.145  -0.409  -3.482
  143   HD21  LEU  17          HD21      LEU  17 -10.490  -1.545  -2.372
  144   HD22  LEU  17          HD22      LEU  17 -11.133   0.072  -2.084
  145   HD23  LEU  17          HD23      LEU  17  -9.917  -0.601  -0.998
  146    H    ALA  18           HN       ALA  18  -8.800   3.986  -0.543
  147    HA   ALA  18           HA       ALA  18  -6.651   5.467  -1.524
  148    HB1  ALA  18           HB1      ALA  18  -8.823   6.431  -0.920
  149    HB2  ALA  18           HB2      ALA  18  -7.486   7.286  -0.149
  150    HB3  ALA  18           HB3      ALA  18  -8.463   6.150   0.783
  151    H    ALA  19           HN       ALA  19  -7.272   4.126   1.680
  152    HA   ALA  19           HA       ALA  19  -4.978   4.995   2.990
  153    HB1  ALA  19           HB1      ALA  19  -5.334   3.146   4.517
  154    HB2  ALA  19           HB2      ALA  19  -6.406   2.370   3.351
  155    HB3  ALA  19           HB3      ALA  19  -6.874   3.898   4.096
  156    H    TYR  20           HN       TYR  20  -5.534   2.130   0.990
  157    HA   TYR  20           HA       TYR  20  -2.973   1.003   1.232
  158    HB2  TYR  20           HB2      TYR  20  -4.628  -0.394   0.286
  159    HB3  TYR  20           HB1      TYR  20  -5.089   0.819  -0.900
  160    HD1  TYR  20           HD1      TYR  20  -4.244   0.708  -3.050
  161    HD2  TYR  20           HD2      TYR  20  -2.210  -1.347   0.067
  162    HE1  TYR  20           HE1      TYR  20  -2.734  -0.298  -4.712
  163    HE2  TYR  20           HE2      TYR  20  -0.692  -2.361  -1.588
  164    HH   TYR  20           HH       TYR  20  -0.574  -1.300  -4.865
  165    H    GLU  21           HN       GLU  21  -4.306   3.316  -1.087
  166    HA   GLU  21           HA       GLU  21  -2.031   3.557  -2.703
  167    HB2  GLU  21           HB2      GLU  21  -4.192   5.578  -2.082
  168    HB3  GLU  21           HB1      GLU  21  -2.976   5.795  -3.329
  169    HG2  GLU  21           HG2      GLU  21  -3.821   3.777  -4.470
  170    HG3  GLU  21           HG1      GLU  21  -5.072   3.631  -3.233
  171    H    LYS  22           HN       LYS  22  -2.887   5.108   0.337
  172    HA   LYS  22           HA       LYS  22  -0.739   6.975   0.287
  173    HB2  LYS  22           HB2      LYS  22  -2.779   7.256   1.680
  174    HB3  LYS  22           HB1      LYS  22  -2.238   5.920   2.688
  175    HG2  LYS  22           HG2      LYS  22  -1.711   8.016   3.752
  176    HG3  LYS  22           HG1      LYS  22  -0.220   7.203   3.269
  177    HD2  LYS  22           HD2      LYS  22  -0.104   8.629   1.270
  178    HD3  LYS  22           HD1      LYS  22  -1.580   9.450   1.778
  179    HE2  LYS  22           HE2      LYS  22  -0.436  10.166   3.842
  180    HE3  LYS  22           HE1      LYS  22   1.042   9.396   3.268
  181    HZ1  LYS  22           HZ1      LYS  22   1.044  10.895   1.376
  182    HZ2  LYS  22           HZ2      LYS  22   1.051  11.765   2.825
  183    HZ3  LYS  22           HZ3      LYS  22  -0.375  11.634   1.925
  184    H    GLU  23           HN       GLU  23  -1.209   3.772   1.699
  185    HA   GLU  23           HA       GLU  23   1.348   3.554   2.887
  186    HB2  GLU  23           HB2      GLU  23  -0.546   1.427   1.872
  187    HB3  GLU  23           HB1      GLU  23   0.913   1.084   2.793
  188    HG2  GLU  23           HG2      GLU  23  -1.440   2.696   3.757
  189    HG3  GLU  23           HG1      GLU  23  -1.076   1.021   4.190
  190    H    LEU  24           HN       LEU  24   0.090   2.933  -0.297
  191    HA   LEU  24           HA       LEU  24   2.302   1.607  -1.416
  192    HB2  LEU  24           HB2      LEU  24   0.038   1.756  -2.443
  193    HB3  LEU  24           HB1      LEU  24   0.337   3.450  -2.788
  194    HG   LEU  24           HG       LEU  24   2.244   2.792  -4.229
  195   HD11  LEU  24          HD11      LEU  24   2.479   0.471  -4.910
  196   HD12  LEU  24          HD12      LEU  24   1.218  -0.005  -3.772
  197   HD13  LEU  24          HD13      LEU  24   2.746   0.647  -3.176
  198   HD21  LEU  24          HD21      LEU  24   0.035   3.243  -5.163
  199   HD22  LEU  24          HD22      LEU  24  -0.404   1.548  -4.950
  200   HD23  LEU  24          HD23      LEU  24   0.879   1.992  -6.075
  201    H    ALA  25           HN       ALA  25   1.456   5.020  -1.166
  202    HA   ALA  25           HA       ALA  25   3.596   6.067  -2.632
  203    HB1  ALA  25           HB1      ALA  25   1.623   7.359  -1.990
  204    HB2  ALA  25           HB2      ALA  25   3.113   8.161  -1.491
  205    HB3  ALA  25           HB3      ALA  25   2.136   7.295  -0.304
  206    H    ALA  26           HN       ALA  26   3.283   5.259   0.792
  207    HA   ALA  26           HA       ALA  26   5.871   6.166   1.531
  208    HB1  ALA  26           HB1      ALA  26   4.099   4.139   2.886
  209    HB2  ALA  26           HB2      ALA  26   4.070   5.881   3.161
  210    HB3  ALA  26           HB3      ALA  26   5.495   4.940   3.605
  211    H    TYR  27           HN       TYR  27   4.529   3.049   0.588
  212    HA   TYR  27           HA       TYR  27   6.851   1.522   1.011
  213    HB2  TYR  27           HB2      TYR  27   4.763   0.383   0.813
  214    HB3  TYR  27           HB1      TYR  27   4.460   1.083  -0.779
  215    HD1  TYR  27           HD1      TYR  27   6.671  -1.244   1.060
  216    HD2  TYR  27           HD2      TYR  27   5.206   0.008  -2.718
  217    HE1  TYR  27           HE1      TYR  27   7.756  -3.188   0.008
  218    HE2  TYR  27           HE2      TYR  27   6.271  -1.935  -3.786
  219    HH   TYR  27           HH       TYR  27   7.613  -4.534  -1.948
  220    H    GLU  28           HN       GLU  28   5.557   3.012  -1.964
  221    HA   GLU  28           HA       GLU  28   7.612   2.064  -3.633
  222    HB2  GLU  28           HB2      GLU  28   5.801   4.464  -3.927
  223    HB3  GLU  28           HB1      GLU  28   6.916   3.934  -5.175
  224    HG2  GLU  28           HG2      GLU  28   5.749   1.710  -5.145
  225    HG3  GLU  28           HG1      GLU  28   4.529   2.443  -4.097
  226    H    LYS  29           HN       LYS  29   7.435   4.769  -1.471
  227    HA   LYS  29           HA       LYS  29   9.686   6.202  -2.391
  228    HB2  LYS  29           HB2      LYS  29   8.058   7.142  -0.805
  229    HB3  LYS  29           HB1      LYS  29   8.552   5.966   0.404
  230    HG2  LYS  29           HG2      LYS  29  10.776   6.946   0.480
  231    HG3  LYS  29           HG1      LYS  29  10.321   8.110  -0.764
  232    HD2  LYS  29           HD2      LYS  29  10.219   9.135   1.447
  233    HD3  LYS  29           HD1      LYS  29   8.605   9.034   0.744
  234    HE2  LYS  29           HE2      LYS  29   8.511   8.405   3.070
  235    HE3  LYS  29           HE1      LYS  29   8.195   6.988   2.073
  236    HZ1  LYS  29           HZ1      LYS  29  10.783   7.654   3.367
  237    HZ2  LYS  29           HZ2      LYS  29  10.487   6.288   2.419
  238    HZ3  LYS  29           HZ3      LYS  29   9.691   6.481   3.898
  239    H    GLU  30           HN       GLU  30   9.331   3.794   0.211
  240    HA   GLU  30           HA       GLU  30  12.096   3.589   0.767
  241    HB2  GLU  30           HB2      GLU  30   9.905   1.558   1.260
  242    HB3  GLU  30           HB1      GLU  30  11.502   1.536   1.987
  243    HG2  GLU  30           HG2      GLU  30  11.022   3.639   3.128
  244    HG3  GLU  30           HG1      GLU  30   9.421   3.671   2.389
  245    H    LEU  31           HN       LEU  31   9.952   1.947  -1.441
  246    HA   LEU  31           HA       LEU  31  11.655  -0.155  -2.219
  247    HB2  LEU  31           HB2      LEU  31   9.187   0.026  -2.679
  248    HB3  LEU  31           HB1      LEU  31   9.567   1.202  -3.925
  249    HG   LEU  31           HG       LEU  31  10.919  -0.532  -5.084
  250   HD11  LEU  31          HD11      LEU  31  11.413  -1.939  -3.162
  251   HD12  LEU  31          HD12      LEU  31  10.618  -2.867  -4.433
  252   HD13  LEU  31          HD13      LEU  31   9.706  -2.353  -3.014
  253   HD21  LEU  31          HD21      LEU  31   8.979  -1.791  -5.914
  254   HD22  LEU  31          HD22      LEU  31   8.649  -0.065  -5.777
  255   HD23  LEU  31          HD23      LEU  31   8.025  -1.180  -4.564
  256    H    ALA  32           HN       ALA  32  11.171   3.092  -3.535
  257    HA   ALA  32           HA       ALA  32  12.876   2.849  -5.750
  258    HB1  ALA  32           HB1      ALA  32  12.867   5.287  -5.795
  259    HB2  ALA  32           HB2      ALA  32  12.168   5.316  -4.175
  260    HB3  ALA  32           HB3      ALA  32  11.248   4.643  -5.521
  261    H    ALA  33           HN       ALA  33  13.511   3.478  -2.384
  262    HA   ALA  33           HA       ALA  33  16.265   4.210  -2.840
  263    HB1  ALA  33           HB1      ALA  33  15.072   5.223  -1.005
  264    HB2  ALA  33           HB2      ALA  33  16.398   4.241  -0.380
  265    HB3  ALA  33           HB3      ALA  33  14.741   3.638  -0.310
  266    H    TYR  34           HN       TYR  34  14.451   1.332  -2.284
  267    HA   TYR  34           HA       TYR  34  16.662  -0.231  -1.292
  268    HB2  TYR  34           HB2      TYR  34  14.337  -0.738  -0.626
  269    HB3  TYR  34           HB1      TYR  34  13.939  -1.093  -2.302
  270    HD1  TYR  34           HD1      TYR  34  14.177  -3.258  -3.129
  271    HD2  TYR  34           HD2      TYR  34  16.157  -2.182   0.475
  272    HE1  TYR  34           HE1      TYR  34  14.818  -5.608  -2.791
  273    HE2  TYR  34           HE2      TYR  34  16.808  -4.532   0.823
  274    HH   TYR  34           HH       TYR  34  16.491  -6.904  -1.617
  275    HN1  NH2  35           HN1      NH2  35  15.115   0.399  -4.341
  276    HN2  NH2  35           HN2      NH2  35  16.178  -0.549  -5.320
  Start of MODEL   19
    1    H1   ACE   0           HA1      ACE   0  14.863  -0.475   5.677
    2    H2   ACE   0           HA2      ACE   0  14.130  -1.016   4.170
    3    H3   ACE   0           HA3      ACE   0  15.671  -1.710   4.665
    4    HA   PRO   1           HA       PRO   1  13.810  -3.485   3.138
    5    HB2  PRO   1           HB2      PRO   1  12.630  -5.974   3.586
    6    HB3  PRO   1           HB1      PRO   1  14.323  -5.721   3.136
    7    HG2  PRO   1           HG2      PRO   1  13.133  -6.206   5.813
    8    HG3  PRO   1           HG1      PRO   1  14.660  -6.796   5.123
    9    HD2  PRO   1           HD2      PRO   1  14.649  -4.789   6.890
   10    HD3  PRO   1           HD1      PRO   1  15.768  -4.787   5.510
   11    HA   PRO   2           HA       PRO   2   9.658  -2.060   4.006
   12    HB2  PRO   2           HB2      PRO   2   9.114  -1.173   1.495
   13    HB3  PRO   2           HB1      PRO   2  10.131  -0.269   2.634
   14    HG2  PRO   2           HG2      PRO   2  10.910  -1.955   0.324
   15    HG3  PRO   2           HG1      PRO   2  11.634  -0.452   0.929
   16    HD2  PRO   2           HD2      PRO   2  12.659  -2.963   1.389
   17    HD3  PRO   2           HD1      PRO   2  12.972  -1.550   2.417
   18    H    LYS   3           HN       LYS   3   7.645  -2.872   3.756
   19    HA   LYS   3           HA       LYS   3   7.376  -5.214   1.990
   20    HB2  LYS   3           HB2      LYS   3   6.176  -4.633   4.697
   21    HB3  LYS   3           HB1      LYS   3   5.592  -5.926   3.661
   22    HG2  LYS   3           HG2      LYS   3   7.743  -7.012   3.732
   23    HG3  LYS   3           HG1      LYS   3   8.413  -5.677   4.673
   24    HD2  LYS   3           HD2      LYS   3   6.972  -6.181   6.523
   25    HD3  LYS   3           HD1      LYS   3   6.103  -7.389   5.574
   26    HE2  LYS   3           HE2      LYS   3   7.694  -8.416   7.124
   27    HE3  LYS   3           HE1      LYS   3   8.101  -8.758   5.446
   28    HZ1  LYS   3           HZ1      LYS   3   9.377  -6.660   7.113
   29    HZ2  LYS   3           HZ2      LYS   3   9.799  -7.069   5.526
   30    HZ3  LYS   3           HZ3      LYS   3  10.045  -8.177   6.780
   31    H    LYS   4           HN       LYS   4   5.509  -5.417   0.736
   32    HA   LYS   4           HA       LYS   4   4.154  -2.906   0.245
   33    HB2  LYS   4           HB2      LYS   4   4.974  -4.334  -1.635
   34    HB3  LYS   4           HB1      LYS   4   3.810  -5.571  -1.158
   35    HG2  LYS   4           HG2      LYS   4   1.980  -3.977  -1.584
   36    HG3  LYS   4           HG1      LYS   4   3.166  -2.790  -2.129
   37    HD2  LYS   4           HD2      LYS   4   3.890  -4.402  -3.876
   38    HD3  LYS   4           HD1      LYS   4   2.580  -5.474  -3.371
   39    HE2  LYS   4           HE2      LYS   4   0.951  -3.715  -3.882
   40    HE3  LYS   4           HE1      LYS   4   2.257  -2.654  -4.406
   41    HZ1  LYS   4           HZ1      LYS   4   1.577  -5.262  -5.646
   42    HZ2  LYS   4           HZ2      LYS   4   2.774  -4.193  -6.169
   43    HZ3  LYS   4           HZ3      LYS   4   1.147  -3.748  -6.261
   44    HA   PRO   5           HA       PRO   5   0.647  -4.045   2.793
   45    HB2  PRO   5           HB2      PRO   5  -1.068  -2.144   1.807
   46    HB3  PRO   5           HB1      PRO   5   0.178  -1.804   3.024
   47    HG2  PRO   5           HG2      PRO   5   0.248  -1.338   0.082
   48    HG3  PRO   5           HG1      PRO   5   0.795  -0.289   1.404
   49    HD2  PRO   5           HD2      PRO   5   2.533  -1.745  -0.024
   50    HD3  PRO   5           HD1      PRO   5   2.753  -1.467   1.718
   51    H    LYS   6           HN       LYS   6  -1.415  -4.962   2.509
   52    HA   LYS   6           HA       LYS   6  -1.735  -6.447   0.078
   53    HB2  LYS   6           HB2      LYS   6  -3.614  -6.165   2.434
   54    HB3  LYS   6           HB1      LYS   6  -3.681  -7.417   1.201
   55    HG2  LYS   6           HG2      LYS   6  -1.593  -8.338   1.949
   56    HG3  LYS   6           HG1      LYS   6  -1.372  -7.008   3.087
   57    HD2  LYS   6           HD2      LYS   6  -3.416  -7.716   4.266
   58    HD3  LYS   6           HD1      LYS   6  -3.559  -9.083   3.162
   59    HE2  LYS   6           HE2      LYS   6  -1.237  -8.555   5.011
   60    HE3  LYS   6           HE1      LYS   6  -2.528  -9.720   5.299
   61    HZ1  LYS   6           HZ1      LYS   6  -1.842 -10.892   3.288
   62    HZ2  LYS   6           HZ2      LYS   6  -0.588 -10.808   4.415
   63    HZ3  LYS   6           HZ3      LYS   6  -0.575  -9.792   3.063
   64    H    LYS   7           HN       LYS   7  -2.919  -5.896  -1.667
   65    HA   LYS   7           HA       LYS   7  -4.271  -3.349  -1.644
   66    HB2  LYS   7           HB2      LYS   7  -2.872  -4.074  -3.593
   67    HB3  LYS   7           HB1      LYS   7  -4.063  -5.325  -3.926
   68    HG2  LYS   7           HG2      LYS   7  -5.779  -3.595  -4.254
   69    HG3  LYS   7           HG1      LYS   7  -4.556  -2.350  -3.960
   70    HD2  LYS   7           HD2      LYS   7  -3.286  -3.165  -5.899
   71    HD3  LYS   7           HD1      LYS   7  -4.539  -4.372  -6.201
   72    HE2  LYS   7           HE2      LYS   7  -4.948  -1.379  -6.203
   73    HE3  LYS   7           HE1      LYS   7  -4.790  -2.387  -7.640
   74    HZ1  LYS   7           HZ1      LYS   7  -7.105  -1.906  -7.126
   75    HZ2  LYS   7           HZ2      LYS   7  -6.943  -2.626  -5.606
   76    HZ3  LYS   7           HZ3      LYS   7  -6.794  -3.564  -7.003
   77    HA   PRO   8           HA       PRO   8  -8.244  -5.344  -1.098
   78    HB2  PRO   8           HB2      PRO   8  -9.484  -3.144  -0.141
   79    HB3  PRO   8           HB1      PRO   8  -8.379  -4.101   0.859
   80    HG2  PRO   8           HG2      PRO   8  -7.991  -1.459  -0.362
   81    HG3  PRO   8           HG1      PRO   8  -7.245  -2.169   1.079
   82    HD2  PRO   8           HD2      PRO   8  -6.123  -1.965  -1.518
   83    HD3  PRO   8           HD1      PRO   8  -5.441  -2.789  -0.097
   84    H    GLY   9           HN       GLY   9 -10.318  -5.082  -2.136
   85    HA2  GLY   9           HA2      GLY   9 -10.759  -2.858  -3.900
   86    HA3  GLY   9           HA1      GLY   9 -10.380  -4.343  -4.753
   87    H    ASP  10           HN       ASP  10 -11.721  -6.281  -3.945
   88    HA   ASP  10           HA       ASP  10 -14.396  -5.683  -4.634
   89    HB2  ASP  10           HB2      ASP  10 -13.311  -8.230  -3.415
   90    HB3  ASP  10           HB1      ASP  10 -14.863  -8.053  -4.221
   91    H    ASN  11           HN       ASN  11 -13.216  -7.188  -1.648
   92    HA   ASN  11           HA       ASN  11 -15.703  -6.448  -0.330
   93    HB2  ASN  11           HB2      ASN  11 -14.835  -7.929   1.510
   94    HB3  ASN  11           HB1      ASN  11 -15.071  -8.736  -0.034
   95   HD21  ASN  11          HD21      ASN  11 -12.729  -7.648   2.301
   96   HD22  ASN  11          HD22      ASN  11 -11.375  -8.473   1.609
   97    H    ALA  12           HN       ALA  12 -14.108  -4.267  -0.878
   98    HA   ALA  12           HA       ALA  12 -13.394  -3.399   1.818
   99    HB1  ALA  12           HB1      ALA  12 -11.652  -2.921  -0.584
  100    HB2  ALA  12           HB2      ALA  12 -11.320  -4.079   0.705
  101    HB3  ALA  12           HB3      ALA  12 -11.356  -2.352   1.059
  102    H    THR  13           HN       THR  13 -13.072  -0.995   1.882
  103    HA   THR  13           HA       THR  13 -15.125   0.297   0.253
  104    HB   THR  13           HB       THR  13 -14.988   2.104   1.947
  105    HG1  THR  13           HG1      THR  13 -13.813   1.352   3.948
  106   HG21  THR  13          HG21      THR  13 -16.068   0.879   3.743
  107   HG22  THR  13          HG22      THR  13 -15.416  -0.638   3.123
  108   HG23  THR  13          HG23      THR  13 -16.598   0.264   2.177
  109    HA   PRO  14           HA       PRO  14 -12.251   2.820  -2.089
  110    HB2  PRO  14           HB2      PRO  14 -13.972   5.107  -1.220
  111    HB3  PRO  14           HB1      PRO  14 -13.448   4.653  -2.855
  112    HG2  PRO  14           HG2      PRO  14 -15.912   4.178  -2.119
  113    HG3  PRO  14           HG1      PRO  14 -15.002   2.953  -3.031
  114    HD2  PRO  14           HD2      PRO  14 -15.628   3.027  -0.098
  115    HD3  PRO  14           HD1      PRO  14 -15.634   1.648  -1.216
  116    H    GLU  15           HN       GLU  15 -13.292   3.855   1.102
  117    HA   GLU  15           HA       GLU  15 -11.235   5.715   1.590
  118    HB2  GLU  15           HB2      GLU  15 -12.919   4.105   3.514
  119    HB3  GLU  15           HB1      GLU  15 -11.871   5.437   3.980
  120    HG2  GLU  15           HG2      GLU  15 -14.266   5.596   2.168
  121    HG3  GLU  15           HG1      GLU  15 -14.159   6.184   3.825
  122    H    LYS  16           HN       LYS  16 -11.453   2.241   1.937
  123    HA   LYS  16           HA       LYS  16  -9.053   1.947   3.438
  124    HB2  LYS  16           HB2      LYS  16 -10.789   0.214   3.429
  125    HB3  LYS  16           HB1      LYS  16 -10.541  -0.037   1.704
  126    HG2  LYS  16           HG2      LYS  16  -9.448  -1.793   2.930
  127    HG3  LYS  16           HG1      LYS  16  -8.229  -0.764   2.178
  128    HD2  LYS  16           HD2      LYS  16  -7.523  -1.281   4.413
  129    HD3  LYS  16           HD1      LYS  16  -7.973   0.422   4.348
  130    HE2  LYS  16           HE2      LYS  16  -8.828  -0.608   6.377
  131    HE3  LYS  16           HE1      LYS  16 -10.158  -0.127   5.324
  132    HZ1  LYS  16           HZ1      LYS  16 -10.360  -2.411   4.586
  133    HZ2  LYS  16           HZ2      LYS  16 -10.497  -2.328   6.269
  134    HZ3  LYS  16           HZ3      LYS  16  -9.060  -2.877   5.563
  135    H    LEU  17           HN       LEU  17  -9.897   1.984   0.034
  136    HA   LEU  17           HA       LEU  17  -7.357   1.286  -0.973
  137    HB2  LEU  17           HB2      LEU  17  -9.767   2.614  -2.095
  138    HB3  LEU  17           HB1      LEU  17  -8.254   2.810  -2.962
  139    HG   LEU  17           HG       LEU  17  -9.497   0.993  -3.931
  140   HD11  LEU  17          HD11      LEU  17  -7.872  -0.804  -3.760
  141   HD12  LEU  17          HD12      LEU  17  -7.198  -0.076  -2.304
  142   HD13  LEU  17          HD13      LEU  17  -7.068   0.763  -3.849
  143   HD21  LEU  17          HD21      LEU  17 -10.884   0.427  -2.001
  144   HD22  LEU  17          HD22      LEU  17  -9.482  -0.281  -1.200
  145   HD23  LEU  17          HD23      LEU  17 -10.106  -1.000  -2.683
  146    H    ALA  18           HN       ALA  18  -8.783   4.328   0.024
  147    HA   ALA  18           HA       ALA  18  -6.802   6.073  -0.896
  148    HB1  ALA  18           HB1      ALA  18  -7.634   7.623   0.771
  149    HB2  ALA  18           HB2      ALA  18  -8.454   6.307   1.610
  150    HB3  ALA  18           HB3      ALA  18  -8.978   6.784  -0.004
  151    H    ALA  19           HN       ALA  19  -7.119   4.336   2.164
  152    HA   ALA  19           HA       ALA  19  -4.715   5.195   3.323
  153    HB1  ALA  19           HB1      ALA  19  -6.519   4.099   4.573
  154    HB2  ALA  19           HB2      ALA  19  -4.962   3.307   4.822
  155    HB3  ALA  19           HB3      ALA  19  -6.157   2.587   3.742
  156    H    TYR  20           HN       TYR  20  -5.497   2.423   1.263
  157    HA   TYR  20           HA       TYR  20  -2.995   1.178   1.359
  158    HB2  TYR  20           HB2      TYR  20  -4.898   0.001   0.436
  159    HB3  TYR  20           HB1      TYR  20  -5.049   1.188  -0.855
  160    HD1  TYR  20           HD1      TYR  20  -3.850   0.940  -2.865
  161    HD2  TYR  20           HD2      TYR  20  -2.802  -1.422   0.507
  162    HE1  TYR  20           HE1      TYR  20  -2.335  -0.396  -4.279
  163    HE2  TYR  20           HE2      TYR  20  -1.288  -2.765  -0.893
  164    HH   TYR  20           HH       TYR  20  -0.988  -3.348  -3.235
  165    H    GLU  21           HN       GLU  21  -4.261   3.642  -0.851
  166    HA   GLU  21           HA       GLU  21  -2.023   3.734  -2.545
  167    HB2  GLU  21           HB2      GLU  21  -4.013   5.902  -1.850
  168    HB3  GLU  21           HB1      GLU  21  -2.820   6.035  -3.132
  169    HG2  GLU  21           HG2      GLU  21  -3.857   4.033  -4.205
  170    HG3  GLU  21           HG1      GLU  21  -5.124   4.101  -2.977
  171    H    LYS  22           HN       LYS  22  -2.692   5.287   0.530
  172    HA   LYS  22           HA       LYS  22  -0.459   7.046   0.451
  173    HB2  LYS  22           HB2      LYS  22  -2.554   7.229   1.913
  174    HB3  LYS  22           HB1      LYS  22  -1.810   6.028   2.950
  175    HG2  LYS  22           HG2      LYS  22  -0.520   8.665   2.277
  176    HG3  LYS  22           HG1      LYS  22  -1.563   8.420   3.673
  177    HD2  LYS  22           HD2      LYS  22   0.973   6.882   3.129
  178    HD3  LYS  22           HD1      LYS  22   0.854   8.274   4.205
  179    HE2  LYS  22           HE2      LYS  22  -0.615   5.656   4.512
  180    HE3  LYS  22           HE1      LYS  22   0.785   6.171   5.447
  181    HZ1  LYS  22           HZ1      LYS  22  -1.242   6.533   6.676
  182    HZ2  LYS  22           HZ2      LYS  22  -1.877   7.485   5.434
  183    HZ3  LYS  22           HZ3      LYS  22  -0.530   8.021   6.305
  184    H    GLU  23           HN       GLU  23  -1.070   3.870   1.894
  185    HA   GLU  23           HA       GLU  23   1.507   3.476   2.973
  186    HB2  GLU  23           HB2      GLU  23  -0.550   1.477   2.010
  187    HB3  GLU  23           HB1      GLU  23   0.913   1.038   2.879
  188    HG2  GLU  23           HG2      GLU  23  -1.294   2.791   3.939
  189    HG3  GLU  23           HG1      GLU  23  -1.049   1.083   4.326
  190    H    LEU  24           HN       LEU  24   0.086   2.837  -0.160
  191    HA   LEU  24           HA       LEU  24   2.221   1.374  -1.272
  192    HB2  LEU  24           HB2      LEU  24  -0.104   1.509  -2.195
  193    HB3  LEU  24           HB1      LEU  24   0.251   3.141  -2.727
  194    HG   LEU  24           HG       LEU  24   2.058   2.258  -4.176
  195   HD11  LEU  24          HD11      LEU  24   2.521   0.214  -2.889
  196   HD12  LEU  24          HD12      LEU  24   2.232  -0.114  -4.597
  197   HD13  LEU  24          HD13      LEU  24   0.971  -0.447  -3.410
  198   HD21  LEU  24          HD21      LEU  24  -0.645   1.010  -4.651
  199   HD22  LEU  24          HD22      LEU  24   0.591   1.324  -5.868
  200   HD23  LEU  24          HD23      LEU  24  -0.197   2.669  -5.045
  201    H    ALA  25           HN       ALA  25   1.423   4.827  -1.317
  202    HA   ALA  25           HA       ALA  25   3.542   5.671  -2.936
  203    HB1  ALA  25           HB1      ALA  25   1.627   7.080  -2.374
  204    HB2  ALA  25           HB2      ALA  25   3.150   7.883  -1.991
  205    HB3  ALA  25           HB3      ALA  25   2.182   7.164  -0.703
  206    H    ALA  26           HN       ALA  26   3.318   5.169   0.544
  207    HA   ALA  26           HA       ALA  26   5.917   6.090   1.176
  208    HB1  ALA  26           HB1      ALA  26   4.155   5.857   2.854
  209    HB2  ALA  26           HB2      ALA  26   5.591   4.940   3.303
  210    HB3  ALA  26           HB3      ALA  26   4.184   4.107   2.643
  211    H    TYR  27           HN       TYR  27   4.570   2.927   0.419
  212    HA   TYR  27           HA       TYR  27   6.916   1.432   0.806
  213    HB2  TYR  27           HB2      TYR  27   4.897   0.213   0.739
  214    HB3  TYR  27           HB1      TYR  27   4.413   0.939  -0.795
  215    HD1  TYR  27           HD1      TYR  27   6.878  -1.365   0.737
  216    HD2  TYR  27           HD2      TYR  27   4.953  -0.086  -2.818
  217    HE1  TYR  27           HE1      TYR  27   7.888  -3.253  -0.476
  218    HE2  TYR  27           HE2      TYR  27   5.943  -1.969  -4.047
  219    HH   TYR  27           HH       TYR  27   7.840  -3.483  -3.881
  220    H    GLU  28           HN       GLU  28   5.500   2.804  -2.168
  221    HA   GLU  28           HA       GLU  28   7.478   1.813  -3.904
  222    HB2  GLU  28           HB2      GLU  28   5.725   4.267  -4.177
  223    HB3  GLU  28           HB1      GLU  28   6.709   3.601  -5.471
  224    HG2  GLU  28           HG2      GLU  28   5.432   1.513  -5.369
  225    HG3  GLU  28           HG1      GLU  28   4.422   2.196  -4.090
  226    H    LYS  29           HN       LYS  29   7.328   4.655  -1.892
  227    HA   LYS  29           HA       LYS  29   9.556   6.030  -2.941
  228    HB2  LYS  29           HB2      LYS  29   7.844   7.013  -1.430
  229    HB3  LYS  29           HB1      LYS  29   8.481   6.038  -0.114
  230    HG2  LYS  29           HG2      LYS  29  10.595   7.206  -0.221
  231    HG3  LYS  29           HG1      LYS  29  10.042   8.134  -1.617
  232    HD2  LYS  29           HD2      LYS  29   8.860   8.221   1.167
  233    HD3  LYS  29           HD1      LYS  29   9.880   9.458   0.429
  234    HE2  LYS  29           HE2      LYS  29   8.182   9.814  -1.303
  235    HE3  LYS  29           HE1      LYS  29   7.161   8.589  -0.555
  236    HZ1  LYS  29           HZ1      LYS  29   7.000   9.943   1.415
  237    HZ2  LYS  29           HZ2      LYS  29   6.507  10.834   0.065
  238    HZ3  LYS  29           HZ3      LYS  29   8.029  11.108   0.747
  239    H    GLU  30           HN       GLU  30   9.225   3.782  -0.207
  240    HA   GLU  30           HA       GLU  30  12.001   3.676   0.377
  241    HB2  GLU  30           HB2      GLU  30   9.751   1.773   1.042
  242    HB3  GLU  30           HB1      GLU  30  11.393   1.576   1.623
  243    HG2  GLU  30           HG2      GLU  30  11.237   3.749   2.759
  244    HG3  GLU  30           HG1      GLU  30   9.568   3.892   2.209
  245    H    LEU  31           HN       LEU  31   9.905   1.892  -1.766
  246    HA   LEU  31           HA       LEU  31  11.586  -0.286  -2.331
  247    HB2  LEU  31           HB2      LEU  31   9.170  -0.142  -2.908
  248    HB3  LEU  31           HB1      LEU  31   9.567   1.030  -4.152
  249    HG   LEU  31           HG       LEU  31  10.933  -0.695  -5.294
  250   HD11  LEU  31          HD11      LEU  31  11.472  -2.070  -3.370
  251   HD12  LEU  31          HD12      LEU  31  10.672  -3.033  -4.612
  252   HD13  LEU  31          HD13      LEU  31   9.774  -2.509  -3.186
  253   HD21  LEU  31          HD21      LEU  31   8.648  -0.290  -5.988
  254   HD22  LEU  31          HD22      LEU  31   8.055  -1.411  -4.762
  255   HD23  LEU  31          HD23      LEU  31   9.024  -2.010  -6.108
  256    H    ALA  32           HN       ALA  32  11.298   2.899  -3.811
  257    HA   ALA  32           HA       ALA  32  13.044   2.504  -5.961
  258    HB1  ALA  32           HB1      ALA  32  11.524   4.398  -5.796
  259    HB2  ALA  32           HB2      ALA  32  13.184   4.932  -6.057
  260    HB3  ALA  32           HB3      ALA  32  12.465   5.041  -4.451
  261    H    ALA  33           HN       ALA  33  13.634   3.273  -2.601
  262    HA   ALA  33           HA       ALA  33  16.447   3.790  -3.043
  263    HB1  ALA  33           HB1      ALA  33  15.279   5.095  -1.385
  264    HB2  ALA  33           HB2      ALA  33  16.514   4.107  -0.602
  265    HB3  ALA  33           HB3      ALA  33  14.816   3.630  -0.521
  266    H    TYR  34           HN       TYR  34  14.482   1.088  -2.539
  267    HA   TYR  34           HA       TYR  34  16.526  -0.473  -1.181
  268    HB2  TYR  34           HB2      TYR  34  14.065  -0.657  -0.616
  269    HB3  TYR  34           HB1      TYR  34  13.828  -1.393  -2.197
  270    HD1  TYR  34           HD1      TYR  34  15.897  -1.801   0.876
  271    HD2  TYR  34           HD2      TYR  34  13.905  -3.699  -2.363
  272    HE1  TYR  34           HE1      TYR  34  16.437  -4.000   1.844
  273    HE2  TYR  34           HE2      TYR  34  14.433  -5.902  -1.409
  274    HH   TYR  34           HH       TYR  34  16.067  -6.902   0.106
  275    HN1  NH2  35           HN1      NH2  35  18.132  -0.604  -2.717
  276    HN2  NH2  35           HN2      NH2  35  17.972  -1.520  -4.172
  Start of MODEL   20
    1    H1   ACE   0           HA1      ACE   0  15.734  -2.613   1.744
    2    H2   ACE   0           HA2      ACE   0  16.188  -1.491   3.021
    3    H3   ACE   0           HA3      ACE   0  14.559  -1.411   2.356
    4    HA   PRO   1           HA       PRO   1  13.696  -4.244   1.335
    5    HB2  PRO   1           HB2      PRO   1  12.822  -6.557   3.009
    6    HB3  PRO   1           HB1      PRO   1  13.310  -6.532   1.305
    7    HG2  PRO   1           HG2      PRO   1  14.905  -7.534   3.162
    8    HG3  PRO   1           HG1      PRO   1  15.545  -6.607   1.790
    9    HD2  PRO   1           HD2      PRO   1  15.220  -5.770   4.635
   10    HD3  PRO   1           HD1      PRO   1  16.482  -5.330   3.469
   11    HA   PRO   2           HA       PRO   2  10.434  -2.186   3.626
   12    HB2  PRO   2           HB2      PRO   2   9.057  -1.325   1.421
   13    HB3  PRO   2           HB1      PRO   2  10.486  -0.503   2.068
   14    HG2  PRO   2           HG2      PRO   2  10.237  -2.285  -0.279
   15    HG3  PRO   2           HG1      PRO   2  11.284  -0.877  -0.026
   16    HD2  PRO   2           HD2      PRO   2  12.130  -3.484   0.146
   17    HD3  PRO   2           HD1      PRO   2  12.930  -2.118   0.947
   18    H    LYS   3           HN       LYS   3   8.409  -2.754   4.258
   19    HA   LYS   3           HA       LYS   3   7.392  -5.261   3.195
   20    HB2  LYS   3           HB2      LYS   3   7.569  -4.987   5.631
   21    HB3  LYS   3           HB1      LYS   3   6.482  -3.609   5.561
   22    HG2  LYS   3           HG2      LYS   3   5.334  -5.604   6.339
   23    HG3  LYS   3           HG1      LYS   3   4.676  -5.055   4.797
   24    HD2  LYS   3           HD2      LYS   3   5.973  -6.755   3.625
   25    HD3  LYS   3           HD1      LYS   3   6.683  -7.283   5.151
   26    HE2  LYS   3           HE2      LYS   3   3.741  -7.356   4.488
   27    HE3  LYS   3           HE1      LYS   3   4.834  -8.735   4.388
   28    HZ1  LYS   3           HZ1      LYS   3   4.160  -7.216   6.847
   29    HZ2  LYS   3           HZ2      LYS   3   5.257  -8.498   6.770
   30    HZ3  LYS   3           HZ3      LYS   3   3.618  -8.767   6.454
   31    H    LYS   4           HN       LYS   4   5.734  -5.411   1.861
   32    HA   LYS   4           HA       LYS   4   4.447  -2.995   0.939
   33    HB2  LYS   4           HB2      LYS   4   5.245  -4.759  -0.632
   34    HB3  LYS   4           HB1      LYS   4   4.062  -5.867   0.057
   35    HG2  LYS   4           HG2      LYS   4   2.246  -4.527  -0.774
   36    HG3  LYS   4           HG1      LYS   4   3.368  -3.285  -1.336
   37    HD2  LYS   4           HD2      LYS   4   2.633  -4.673  -3.191
   38    HD3  LYS   4           HD1      LYS   4   4.357  -4.896  -2.898
   39    HE2  LYS   4           HE2      LYS   4   3.821  -6.956  -1.614
   40    HE3  LYS   4           HE1      LYS   4   2.125  -6.742  -2.045
   41    HZ1  LYS   4           HZ1      LYS   4   3.139  -8.297  -3.536
   42    HZ2  LYS   4           HZ2      LYS   4   4.382  -7.216  -3.913
   43    HZ3  LYS   4           HZ3      LYS   4   2.797  -6.880  -4.397
   44    HA   PRO   5           HA       PRO   5   1.004  -3.609   3.655
   45    HB2  PRO   5           HB2      PRO   5  -0.581  -1.710   2.204
   46    HB3  PRO   5           HB1      PRO   5   0.291  -1.465   3.724
   47    HG2  PRO   5           HG2      PRO   5   0.906  -0.282   1.310
   48    HG3  PRO   5           HG1      PRO   5   1.985  -0.408   2.710
   49    HD2  PRO   5           HD2      PRO   5   1.966  -1.973   0.197
   50    HD3  PRO   5           HD1      PRO   5   3.318  -1.566   1.274
   51    H    LYS   6           HN       LYS   6  -1.211  -4.286   3.624
   52    HA   LYS   6           HA       LYS   6  -1.766  -6.098   1.464
   53    HB2  LYS   6           HB2      LYS   6  -3.422  -5.375   3.885
   54    HB3  LYS   6           HB1      LYS   6  -3.717  -6.735   2.812
   55    HG2  LYS   6           HG2      LYS   6  -1.638  -7.765   3.497
   56    HG3  LYS   6           HG1      LYS   6  -1.256  -6.371   4.509
   57    HD2  LYS   6           HD2      LYS   6  -3.284  -6.803   5.827
   58    HD3  LYS   6           HD1      LYS   6  -3.607  -8.229   4.842
   59    HE2  LYS   6           HE2      LYS   6  -1.515  -9.229   5.586
   60    HE3  LYS   6           HE1      LYS   6  -1.155  -7.792   6.543
   61    HZ1  LYS   6           HZ1      LYS   6  -2.082  -9.554   7.905
   62    HZ2  LYS   6           HZ2      LYS   6  -3.474  -9.599   6.950
   63    HZ3  LYS   6           HZ3      LYS   6  -3.126  -8.223   7.870
   64    H    LYS   7           HN       LYS   7  -2.923  -5.652  -0.280
   65    HA   LYS   7           HA       LYS   7  -4.361  -3.153  -0.475
   66    HB2  LYS   7           HB2      LYS   7  -3.113  -3.892  -2.441
   67    HB3  LYS   7           HB1      LYS   7  -4.001  -5.411  -2.462
   68    HG2  LYS   7           HG2      LYS   7  -6.099  -4.089  -2.812
   69    HG3  LYS   7           HG1      LYS   7  -5.078  -2.660  -3.032
   70    HD2  LYS   7           HD2      LYS   7  -4.054  -3.593  -4.966
   71    HD3  LYS   7           HD1      LYS   7  -4.769  -5.178  -4.658
   72    HE2  LYS   7           HE2      LYS   7  -6.307  -2.667  -5.332
   73    HE3  LYS   7           HE1      LYS   7  -5.931  -3.968  -6.460
   74    HZ1  LYS   7           HZ1      LYS   7  -8.177  -4.158  -5.571
   75    HZ2  LYS   7           HZ2      LYS   7  -7.571  -4.259  -3.994
   76    HZ3  LYS   7           HZ3      LYS   7  -7.230  -5.483  -5.112
   77    HA   PRO   8           HA       PRO   8  -8.273  -4.978   0.839
   78    HB2  PRO   8           HB2      PRO   8  -9.263  -2.464  -0.395
   79    HB3  PRO   8           HB1      PRO   8  -9.552  -3.110   1.228
   80    HG2  PRO   8           HG2      PRO   8  -7.958  -1.026   0.848
   81    HG3  PRO   8           HG1      PRO   8  -7.616  -2.257   2.079
   82    HD2  PRO   8           HD2      PRO   8  -6.339  -1.849  -0.580
   83    HD3  PRO   8           HD1      PRO   8  -5.619  -2.381   0.957
   84    H    GLY   9           HN       GLY   9  -9.901  -6.023  -0.281
   85    HA2  GLY   9           HA2      GLY   9  -9.313  -6.478  -3.068
   86    HA3  GLY   9           HA1      GLY   9 -10.488  -7.345  -2.094
   87    H    ASP  10           HN       ASP  10 -11.847  -7.207  -3.985
   88    HA   ASP  10           HA       ASP  10 -12.715  -4.639  -4.932
   89    HB2  ASP  10           HB2      ASP  10 -14.147  -5.864  -6.433
   90    HB3  ASP  10           HB1      ASP  10 -12.582  -6.663  -6.393
   91    H    ASN  11           HN       ASN  11 -13.586  -6.682  -2.366
   92    HA   ASN  11           HA       ASN  11 -16.320  -5.730  -2.181
   93    HB2  ASN  11           HB2      ASN  11 -14.687  -7.457  -0.309
   94    HB3  ASN  11           HB1      ASN  11 -16.378  -7.046  -0.064
   95   HD21  ASN  11          HD21      ASN  11 -17.006  -7.235  -2.914
   96   HD22  ASN  11          HD22      ASN  11 -17.036  -8.924  -3.278
   97    H    ALA  12           HN       ALA  12 -13.611  -4.155  -1.737
   98    HA   ALA  12           HA       ALA  12 -14.436  -2.862   0.770
   99    HB1  ALA  12           HB1      ALA  12 -12.147  -2.040   0.955
  100    HB2  ALA  12           HB2      ALA  12 -11.729  -2.840  -0.561
  101    HB3  ALA  12           HB3      ALA  12 -12.184  -3.800   0.848
  102    H    THR  13           HN       THR  13 -14.212  -0.529   0.866
  103    HA   THR  13           HA       THR  13 -15.235   0.672  -1.558
  104    HB   THR  13           HB       THR  13 -15.523   2.690  -0.100
  105    HG1  THR  13           HG1      THR  13 -15.298   2.165   2.226
  106   HG21  THR  13          HG21      THR  13 -16.712   0.129   0.949
  107   HG22  THR  13          HG22      THR  13 -17.326   1.076  -0.405
  108   HG23  THR  13          HG23      THR  13 -17.345   1.752   1.223
  109    HA   PRO  14           HA       PRO  14 -11.554   2.779  -2.958
  110    HB2  PRO  14           HB2      PRO  14 -13.243   5.245  -2.938
  111    HB3  PRO  14           HB1      PRO  14 -12.248   4.573  -4.246
  112    HG2  PRO  14           HG2      PRO  14 -14.856   4.338  -4.350
  113    HG3  PRO  14           HG1      PRO  14 -13.811   2.972  -4.805
  114    HD2  PRO  14           HD2      PRO  14 -15.373   3.382  -2.281
  115    HD3  PRO  14           HD1      PRO  14 -15.114   1.896  -3.215
  116    H    GLU  15           HN       GLU  15 -13.458   4.016  -0.323
  117    HA   GLU  15           HA       GLU  15 -11.649   5.914   0.701
  118    HB2  GLU  15           HB2      GLU  15 -13.661   4.254   2.229
  119    HB3  GLU  15           HB1      GLU  15 -12.933   5.758   2.768
  120    HG2  GLU  15           HG2      GLU  15 -14.024   6.909   0.874
  121    HG3  GLU  15           HG1      GLU  15 -14.822   5.395   0.460
  122    H    LYS  16           HN       LYS  16 -11.950   2.445   1.060
  123    HA   LYS  16           HA       LYS  16 -10.005   2.289   3.171
  124    HB2  LYS  16           HB2      LYS  16 -11.920   0.684   2.871
  125    HB3  LYS  16           HB1      LYS  16 -11.098   0.058   1.447
  126    HG2  LYS  16           HG2      LYS  16 -10.666  -1.392   3.309
  127    HG3  LYS  16           HG1      LYS  16  -9.173  -0.553   2.882
  128    HD2  LYS  16           HD2      LYS  16  -9.412  -0.598   5.284
  129    HD3  LYS  16           HD1      LYS  16  -9.603   1.058   4.711
  130    HE2  LYS  16           HE2      LYS  16 -11.258   0.507   6.423
  131    HE3  LYS  16           HE1      LYS  16 -12.026   0.850   4.876
  132    HZ1  LYS  16           HZ1      LYS  16 -12.271  -1.511   4.499
  133    HZ2  LYS  16           HZ2      LYS  16 -12.983  -1.091   5.971
  134    HZ3  LYS  16           HZ3      LYS  16 -11.482  -1.863   5.952
  135    H    LEU  17           HN       LEU  17 -10.106   1.944  -0.303
  136    HA   LEU  17           HA       LEU  17  -7.477   0.979  -0.667
  137    HB2  LEU  17           HB2      LEU  17  -9.461   2.365  -2.405
  138    HB3  LEU  17           HB1      LEU  17  -7.795   2.290  -2.944
  139    HG   LEU  17           HG       LEU  17  -9.070   0.504  -3.955
  140   HD11  LEU  17          HD11      LEU  17  -6.754   0.028  -3.437
  141   HD12  LEU  17          HD12      LEU  17  -7.735  -1.425  -3.250
  142   HD13  LEU  17          HD13      LEU  17  -7.206  -0.530  -1.828
  143   HD21  LEU  17          HD21      LEU  17  -9.707  -0.380  -1.146
  144   HD22  LEU  17          HD22      LEU  17 -10.083  -1.277  -2.616
  145   HD23  LEU  17          HD23      LEU  17 -10.845   0.285  -2.316
  146    H    ALA  18           HN       ALA  18  -8.807   4.156  -0.141
  147    HA   ALA  18           HA       ALA  18  -6.640   5.745  -0.853
  148    HB1  ALA  18           HB1      ALA  18  -8.594   6.170   1.398
  149    HB2  ALA  18           HB2      ALA  18  -8.839   6.638  -0.285
  150    HB3  ALA  18           HB3      ALA  18  -7.571   7.408   0.669
  151    H    ALA  19           HN       ALA  19  -7.308   3.968   2.103
  152    HA   ALA  19           HA       ALA  19  -5.103   4.879   3.597
  153    HB1  ALA  19           HB1      ALA  19  -6.520   2.229   3.765
  154    HB2  ALA  19           HB2      ALA  19  -7.011   3.709   4.589
  155    HB3  ALA  19           HB3      ALA  19  -5.481   2.935   5.002
  156    H    TYR  20           HN       TYR  20  -5.559   2.058   1.502
  157    HA   TYR  20           HA       TYR  20  -2.988   0.979   1.805
  158    HB2  TYR  20           HB2      TYR  20  -4.694  -0.386   0.817
  159    HB3  TYR  20           HB1      TYR  20  -4.965   0.784  -0.468
  160    HD1  TYR  20           HD1      TYR  20  -3.918   0.490  -2.512
  161    HD2  TYR  20           HD2      TYR  20  -2.296  -1.414   0.921
  162    HE1  TYR  20           HE1      TYR  20  -2.289  -0.678  -3.942
  163    HE2  TYR  20           HE2      TYR  20  -0.663  -2.594  -0.498
  164    HH   TYR  20           HH       TYR  20  -0.400  -3.283  -2.815
  165    H    GLU  21           HN       GLU  21  -4.295   3.219  -0.616
  166    HA   GLU  21           HA       GLU  21  -1.936   3.435  -2.127
  167    HB2  GLU  21           HB2      GLU  21  -4.246   5.352  -1.796
  168    HB3  GLU  21           HB1      GLU  21  -2.953   5.581  -2.962
  169    HG2  GLU  21           HG2      GLU  21  -3.559   3.465  -4.047
  170    HG3  GLU  21           HG1      GLU  21  -4.860   3.249  -2.875
  171    H    LYS  22           HN       LYS  22  -2.954   5.020   0.819
  172    HA   LYS  22           HA       LYS  22  -0.938   7.016   0.842
  173    HB2  LYS  22           HB2      LYS  22  -2.823   7.267   2.309
  174    HB3  LYS  22           HB1      LYS  22  -2.508   5.711   3.067
  175    HG2  LYS  22           HG2      LYS  22  -0.311   6.677   3.857
  176    HG3  LYS  22           HG1      LYS  22  -0.911   8.248   3.323
  177    HD2  LYS  22           HD2      LYS  22  -2.735   8.154   4.864
  178    HD3  LYS  22           HD1      LYS  22  -2.379   6.473   5.267
  179    HE2  LYS  22           HE2      LYS  22  -0.674   8.884   5.888
  180    HE3  LYS  22           HE1      LYS  22  -1.590   7.915   7.037
  181    HZ1  LYS  22           HZ1      LYS  22   0.813   7.117   5.505
  182    HZ2  LYS  22           HZ2      LYS  22  -0.169   5.988   6.292
  183    HZ3  LYS  22           HZ3      LYS  22   0.629   7.192   7.183
  184    H    GLU  23           HN       GLU  23  -1.162   3.770   2.252
  185    HA   GLU  23           HA       GLU  23   1.459   3.829   3.368
  186    HB2  GLU  23           HB2      GLU  23  -0.284   1.443   2.717
  187    HB3  GLU  23           HB1      GLU  23   1.122   1.436   3.777
  188    HG2  GLU  23           HG2      GLU  23  -1.512   2.821   4.237
  189    HG3  GLU  23           HG1      GLU  23  -0.848   1.443   5.120
  190    H    LEU  24           HN       LEU  24   0.077   2.874   0.333
  191    HA   LEU  24           HA       LEU  24   2.261   1.465  -0.755
  192    HB2  LEU  24           HB2      LEU  24  -0.048   1.500  -1.700
  193    HB3  LEU  24           HB1      LEU  24   0.222   3.155  -2.214
  194    HG   LEU  24           HG       LEU  24   2.081   2.374  -3.661
  195   HD11  LEU  24          HD11      LEU  24   1.092  -0.379  -2.931
  196   HD12  LEU  24          HD12      LEU  24   2.624   0.331  -2.422
  197   HD13  LEU  24          HD13      LEU  24   2.327   0.009  -4.129
  198   HD21  LEU  24          HD21      LEU  24  -0.573   1.041  -4.176
  199   HD22  LEU  24          HD22      LEU  24   0.660   1.417  -5.379
  200   HD23  LEU  24          HD23      LEU  24  -0.179   2.721  -4.538
  201    H    ALA  25           HN       ALA  25   1.405   4.882  -0.700
  202    HA   ALA  25           HA       ALA  25   3.382   5.841  -2.416
  203    HB1  ALA  25           HB1      ALA  25   1.494   7.179  -1.638
  204    HB2  ALA  25           HB2      ALA  25   3.027   7.997  -1.334
  205    HB3  ALA  25           HB3      ALA  25   2.176   7.195  -0.012
  206    H    ALA  26           HN       ALA  26   3.446   5.232   1.058
  207    HA   ALA  26           HA       ALA  26   6.093   6.172   1.464
  208    HB1  ALA  26           HB1      ALA  26   4.433   4.263   3.099
  209    HB2  ALA  26           HB2      ALA  26   4.527   6.013   3.304
  210    HB3  ALA  26           HB3      ALA  26   5.941   5.010   3.623
  211    H    TYR  27           HN       TYR  27   4.670   3.042   0.746
  212    HA   TYR  27           HA       TYR  27   7.012   1.499   1.022
  213    HB2  TYR  27           HB2      TYR  27   4.893   0.381   1.006
  214    HB3  TYR  27           HB1      TYR  27   4.489   1.049  -0.576
  215    HD1  TYR  27           HD1      TYR  27   6.671  -1.335   1.192
  216    HD2  TYR  27           HD2      TYR  27   5.215  -0.003  -2.567
  217    HE1  TYR  27           HE1      TYR  27   7.662  -3.316   0.117
  218    HE2  TYR  27           HE2      TYR  27   6.192  -1.980  -3.657
  219    HH   TYR  27           HH       TYR  27   7.418  -4.645  -1.869
  220    H    GLU  28           HN       GLU  28   5.501   3.028  -1.797
  221    HA   GLU  28           HA       GLU  28   7.319   2.125  -3.727
  222    HB2  GLU  28           HB2      GLU  28   5.602   4.608  -3.610
  223    HB3  GLU  28           HB1      GLU  28   6.544   4.160  -5.023
  224    HG2  GLU  28           HG2      GLU  28   4.400   2.437  -3.785
  225    HG3  GLU  28           HG1      GLU  28   4.171   3.506  -5.173
  226    H    LYS  29           HN       LYS  29   7.467   4.777  -1.469
  227    HA   LYS  29           HA       LYS  29   9.675   6.145  -2.576
  228    HB2  LYS  29           HB2      LYS  29   8.151   7.062  -0.829
  229    HB3  LYS  29           HB1      LYS  29   8.853   5.942   0.329
  230    HG2  LYS  29           HG2      LYS  29  11.042   7.011   0.018
  231    HG3  LYS  29           HG1      LYS  29  10.313   8.160  -1.104
  232    HD2  LYS  29           HD2      LYS  29   9.664   7.831   1.829
  233    HD3  LYS  29           HD1      LYS  29  10.517   9.180   1.079
  234    HE2  LYS  29           HE2      LYS  29   8.510   9.766  -0.179
  235    HE3  LYS  29           HE1      LYS  29   7.657   8.393   0.524
  236    HZ1  LYS  29           HZ1      LYS  29   8.711  10.738   2.005
  237    HZ2  LYS  29           HZ2      LYS  29   7.955   9.402   2.711
  238    HZ3  LYS  29           HZ3      LYS  29   7.083  10.410   1.675
  239    H    GLU  30           HN       GLU  30   9.413   3.660  -0.060
  240    HA   GLU  30           HA       GLU  30  12.192   3.377   0.382
  241    HB2  GLU  30           HB2      GLU  30   9.987   1.361   0.846
  242    HB3  GLU  30           HB1      GLU  30  11.605   1.296   1.526
  243    HG2  GLU  30           HG2      GLU  30   9.535   3.401   2.075
  244    HG3  GLU  30           HG1      GLU  30  10.001   2.088   3.154
  245    H    LEU  31           HN       LEU  31   9.911   1.849  -1.791
  246    HA   LEU  31           HA       LEU  31  11.508  -0.281  -2.680
  247    HB2  LEU  31           HB2      LEU  31   9.040   0.013  -3.077
  248    HB3  LEU  31           HB1      LEU  31   9.433   1.220  -4.288
  249    HG   LEU  31           HG       LEU  31  10.668  -0.517  -5.561
  250   HD11  LEU  31          HD11      LEU  31   9.487  -2.358  -3.492
  251   HD12  LEU  31          HD12      LEU  31  11.200  -2.014  -3.732
  252   HD13  LEU  31          HD13      LEU  31  10.288  -2.866  -4.979
  253   HD21  LEU  31          HD21      LEU  31   8.661  -1.672  -6.371
  254   HD22  LEU  31          HD22      LEU  31   8.382   0.054  -6.140
  255   HD23  LEU  31          HD23      LEU  31   7.774  -1.102  -4.956
  256    H    ALA  32           HN       ALA  32  11.161   3.027  -3.850
  257    HA   ALA  32           HA       ALA  32  12.805   2.812  -6.108
  258    HB1  ALA  32           HB1      ALA  32  12.935   5.252  -5.999
  259    HB2  ALA  32           HB2      ALA  32  12.243   5.210  -4.378
  260    HB3  ALA  32           HB3      ALA  32  11.289   4.672  -5.758
  261    H    ALA  33           HN       ALA  33  13.540   3.297  -2.723
  262    HA   ALA  33           HA       ALA  33  16.307   3.944  -3.194
  263    HB1  ALA  33           HB1      ALA  33  14.860   3.264  -0.643
  264    HB2  ALA  33           HB2      ALA  33  15.131   4.883  -1.283
  265    HB3  ALA  33           HB3      ALA  33  16.500   3.902  -0.758
  266    H    TYR  34           HN       TYR  34  14.412   1.096  -2.601
  267    HA   TYR  34           HA       TYR  34  16.728  -0.533  -1.957
  268    HB2  TYR  34           HB2      TYR  34  14.460  -0.853  -0.873
  269    HB3  TYR  34           HB1      TYR  34  13.884  -1.455  -2.425
  270    HD1  TYR  34           HD1      TYR  34  13.772  -3.753  -2.596
  271    HD2  TYR  34           HD2      TYR  34  16.817  -2.028  -0.185
  272    HE1  TYR  34           HE1      TYR  34  14.585  -6.002  -2.020
  273    HE2  TYR  34           HE2      TYR  34  17.640  -4.270   0.398
  274    HH   TYR  34           HH       TYR  34  16.964  -6.519   0.454
  275    HN1  NH2  35           HN1      NH2  35  17.609   0.175  -4.109
  276    HN2  NH2  35           HN2      NH2  35  17.268  -0.834  -5.469