*HEADER    CYTOKINE                                14-DEC-07   2JYO              
*TITLE     NMR SOLUTION STRUCTURE OF HUMAN MIP-3ALPHA/CCL20                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: C-C MOTIF CHEMOKINE 20 (SMALL-INDUCIBLE CYTOKINE           
*COMPND   3 A20) (MACROPHAGE INFLAMMATORY PROTEIN 3 ALPHA) (MIP-3-               
*COMPND   4 ALPHA) (LIVER AND ACTIVATION-REGULATED CHEMOKINE) (CC                
*COMPND   5 CHEMOKINE LARC) (BETA CHEMOKINE EXODUS-1);                           
*COMPND   6 CHAIN: A;                                                            
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PROTEIN, CHEMOKINE, CYTOKINE, ALTERNATIVE SPLICING,                   
*KEYWDS   2 ANTIBIOTIC, ANTIMICROBIAL, CHEMOTAXIS, INFLAMMATORY                  
*KEYWDS   3 RESPONSE, POLYMORPHISM, SECRETED                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.I.CHAN, H.N.HUNTER, B.F.TACK, H.J.VOGEL                             
*REVDAT   1   01-JAN-08 2JYO    0                                                

! derived from the 2D file(s):
! /home/scratch/dichan/NMR/mip-3a/Aria/h2o_may24_2007.xpk
ASSI ( resid 65 and name HA )
     ( resid 64 and name HA )
     6.0 0.1 0.1 peak 0 weight 1.1 volume 25.02520 ppm1 10.08100 ppm2 9.90100
  OR ( resid 63 and name HA )
     ( resid 64 and name HA )
ASSI ( resid 7 and name HN )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 1 weight 1.1 volume 61.37650 ppm1 10.17000 ppm2 9.15800
ASSI ( resid 49 and name HN )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 2 weight 1.1 volume 52.76450 ppm1 9.93100 ppm2 9.16900
ASSI ( resid 49 and name HN )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 3 weight 1.1 volume 62.44260 ppm1 9.92900 ppm2 9.08000
ASSI ( resid 49 and name HN )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 4 weight 1.1 volume 176.03040 ppm1 9.93000 ppm2 8.46800
  OR ( resid 49 and name HN )
     ( resid 37 and name HN )
ASSI ( resid 55 and name HE1 )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 5 weight 1.1 volume 103.83000 ppm1 9.89800 ppm2 8.44100
ASSI ( resid 7 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 6 weight 1.1 volume 230.82950 ppm1 10.17000 ppm2 8.02300
ASSI ( resid 55 and name HE1 )
     ( resid 55 and name HD1 )
     6.0 0.1 0.1 peak 7 weight 1.1 volume 860.92877 ppm1 9.89800 ppm2 7.57500
ASSI ( resid 49 and name HN )
     ( resid 50 and name HD21 )
     6.0 0.1 0.1 peak 8 weight 1.1 volume 102.14110 ppm1 9.92800 ppm2 6.86900
ASSI ( resid 55 and name HE1 )
     ( resid 55 and name HH2 )
     6.0 0.1 0.1 peak 9 weight 1.1 volume 64.74810 ppm1 9.89900 ppm2 6.87600
ASSI ( resid 55 and name HE1 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 10 weight 1.1 volume 24.38280 ppm1 9.89900 ppm2 5.78400
ASSI ( resid 49 and name HN )
     ( resid 49 and name HA )
     6.0 0.1 0.1 peak 11 weight 1.1 volume 154.90440 ppm1 9.93100 ppm2 5.05400
ASSI ( resid 49 and name HN )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 12 weight 1.1 volume 648.34058 ppm1 9.93000 ppm2 4.82600
ASSI ( resid 49 and name HN )
     ( resid 38 and name HA )
     6.0 0.1 0.1 peak 13 weight 1.1 volume 189.56950 ppm1 9.93200 ppm2 4.68400
ASSI ( resid 7 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 14 weight 1.1 volume 239.48930 ppm1 10.17000 ppm2 4.57000
ASSI ( resid 7 and name HN )
     ( resid 6 and name HA )
     6.0 0.1 0.1 peak 15 weight 1.1 volume 867.17670 ppm1 10.17000 ppm2 4.41200
ASSI ( attr store1 < 9.954 and attr store1 > 9.914 )
     ( attr store1 < 4.402 and attr store1 > 4.322 )
     6.0 0.1 0.1 peak 16 volume 27.67960 ppm1 9.93400 ppm2 4.36200
ASSI ( attr store1 < 9.917 and attr store1 > 9.877 )
     ( attr store1 < 4.503 and attr store1 > 4.423 )
     6.0 0.1 0.1 peak 17 volume 15.07190 ppm1 9.89700 ppm2 4.46300
ASSI ( resid 55 and name HE1 )
     ( resid 53 and name HA )
     6.0 0.1 0.1 peak 18 weight 1.1 volume 20.60230 ppm1 9.89800 ppm2 4.24500
ASSI ( resid 49 and name HN )
     ( resid 48 and name HB1 )
     6.0 0.1 0.1 peak 19 weight 1.1 volume 107.83500 ppm1 9.93000 ppm2 3.50800
ASSI ( resid 55 and name HE1 )
     ( resid 55 and name HB1 )
     6.0 0.1 0.1 peak 20 weight 1.1 volume 19.29070 ppm1 9.89700 ppm2 3.55900
ASSI ( resid 55 and name HE1 )
     ( resid 55 and name HB2 )
     6.0 0.1 0.1 peak 21 weight 1.1 volume 44.08690 ppm1 9.89800 ppm2 3.15700
ASSI ( resid 49 and name HN )
     ( resid 48 and name HB2 )
     6.0 0.1 0.1 peak 22 weight 1.1 volume 127.43210 ppm1 9.93000 ppm2 3.11100
ASSI ( resid 7 and name HN )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 23 weight 1.1 volume 490.24280 ppm1 10.17000 ppm2 2.85600
ASSI ( resid 7 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 24 weight 1.1 volume 535.26672 ppm1 10.17000 ppm2 2.70900
ASSI ( resid 55 and name HE1 )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 25 weight 1.1 volume 30.54930 ppm1 9.89800 ppm2 2.39300
ASSI ( resid 55 and name HE1 )
     ( resid 53 and name HG1 )
     6.0 0.1 0.1 peak 26 weight 1.1 volume 25.54140 ppm1 9.89800 ppm2 2.44600
ASSI ( resid 55 and name HE1 )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 27 weight 1.1 volume 25.69100 ppm1 9.89700 ppm2 2.19800
ASSI ( resid 55 and name HE1 )
     ( resid 53 and name HB2 )
     6.0 0.1 0.1 peak 28 weight 1.1 volume 166.73331 ppm1 9.89800 ppm2 1.86200
  OR ( resid 55 and name HE1 )
     ( resid 53 and name HB1 )
ASSI ( attr store1 < 9.918 and attr store1 > 9.878 )
     ( attr store1 < 1.564 and attr store1 > 1.484 )
     6.0 0.1 0.1 peak 29 volume 46.83360 ppm1 9.89800 ppm2 1.52400
ASSI ( resid 49 and name HN )
     ( resid 11 and name HG21 )
     6.0 0.1 0.1 peak 30 weight 1.1 volume 20.43130 ppm1 9.92700 ppm2 1.52600
ASSI ( resid 7 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 31 weight 1.1 volume 87.62960 ppm1 10.16900 ppm2 1.35500
ASSI ( resid 49 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 32 weight 1.1 volume 183.69881 ppm1 9.92900 ppm2 1.35500
ASSI ( resid 49 and name HN )
     ( resid 49 and name HB1 )
     6.0 0.1 0.1 peak 33 weight 1.1 volume 427.79779 ppm1 9.93000 ppm2 1.23900
ASSI ( resid 49 and name HN )
     ( resid 37 and name HB )
     6.0 0.1 0.1 peak 34 weight 1.1 volume 117.08270 ppm1 9.93100 ppm2 1.15600
ASSI ( attr store1 < 10.189 and attr store1 > 10.149 )
     ( attr store1 < 0.901 and attr store1 > 0.821 )
     6.0 0.1 0.1 peak 35 volume 113.55500 ppm1 10.16900 ppm2 0.86100
ASSI ( resid 7 and name HN )
     ( resid 34 and name HG12 )
     6.0 0.1 0.1 peak 36 weight 1.1 volume 23.15660 ppm1 10.16700 ppm2 0.74200
  OR ( resid 7 and name HN )
     ( resid 34 and name HG11 )
ASSI ( attr store1 < 9.951 and attr store1 > 9.911 )
     ( attr store1 < 0.901 and attr store1 > 0.821 )
     6.0 0.1 0.1 peak 37 volume 30.45650 ppm1 9.93100 ppm2 0.86100
ASSI ( resid 55 and name HE1 )
     ( resid 14 and name HG11 )
     6.0 0.1 0.1 peak 38 weight 1.1 volume 30.71280 ppm1 9.89700 ppm2 0.96200
ASSI ( resid 55 and name HE1 )
     ( resid 14 and name HD11 )
     6.0 0.1 0.1 peak 39 weight 1.1 volume 49.59140 ppm1 9.89800 ppm2 0.50900
ASSI ( resid 49 and name HN )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 40 weight 1.1 volume 54.89570 ppm1 9.92700 ppm2 0.52300
ASSI ( resid 55 and name HE1 )
     ( resid 14 and name HG12 )
     6.0 0.1 0.1 peak 41 weight 1.1 volume 106.72770 ppm1 9.89500 ppm2 0.08500
  OR ( resid 55 and name HE1 )
     ( resid 14 and name HG21 )
ASSI ( resid 49 and name HN )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 42 weight 1.1 volume 34.17360 ppm1 9.93100 ppm2 -0.38200
ASSI ( resid 55 and name HE1 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 43 weight 1.1 volume 117.92310 ppm1 9.89800 ppm2 -0.56000
ASSI ( resid 39 and name HN )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 44 weight 1.1 volume 43.47050 ppm1 9.16800 ppm2 -0.38100
ASSI ( attr store1 < 9.515 and attr store1 > 9.475 )
     ( attr store1 < 0.853 and attr store1 > 0.773 )
     6.0 0.1 0.1 peak 45 volume 40.44950 ppm1 9.49500 ppm2 0.81300
ASSI ( attr store1 < 9.515 and attr store1 > 9.475 )
     ( attr store1 < 0.898 and attr store1 > 0.818 )
     6.0 0.1 0.1 peak 46 volume 34.24670 ppm1 9.49500 ppm2 0.85800
ASSI ( resid 36 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 47 weight 1.1 volume 25.17990 ppm1 9.49600 ppm2 1.08800
ASSI ( resid 36 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 48 weight 1.1 volume 248.79820 ppm1 9.49400 ppm2 1.35500
ASSI ( attr store1 < 9.514 and attr store1 > 9.474 )
     ( attr store1 < 1.744 and attr store1 > 1.664 )
     6.0 0.1 0.1 peak 49 volume 42.62230 ppm1 9.49400 ppm2 1.70400
ASSI ( resid 36 and name HN )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 50 weight 1.1 volume 236.37950 ppm1 9.49400 ppm2 1.88400
ASSI ( resid 36 and name HN )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 51 weight 1.1 volume 157.46831 ppm1 9.49400 ppm2 2.04600
ASSI ( resid 36 and name HN )
     ( resid 26 and name HG2 )
     6.0 0.1 0.1 peak 52 weight 1.1 volume 182.48849 ppm1 9.49500 ppm2 2.22800
  OR ( resid 36 and name HN )
     ( resid 26 and name HG1 )
ASSI ( resid 36 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 53 weight 1.1 volume 313.05511 ppm1 9.49400 ppm2 2.73300
  OR ( resid 36 and name HN )
     ( resid 35 and name HB1 )
ASSI ( resid 36 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 54 weight 1.1 volume 133.38161 ppm1 9.49400 ppm2 4.64800
ASSI ( resid 36 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 55 weight 1.1 volume 79.18230 ppm1 9.49400 ppm2 4.94200
ASSI ( resid 36 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 56 weight 1.1 volume 770.94702 ppm1 9.49400 ppm2 5.19800
ASSI ( attr store1 < 9.514 and attr store1 > 9.474 )
     ( attr store1 < 6.909 and attr store1 > 6.829 )
     6.0 0.1 0.1 peak 57 volume 36.80620 ppm1 9.49400 ppm2 6.86900
ASSI ( resid 36 and name HN )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 58 weight 1.1 volume 40.45260 ppm1 9.49300 ppm2 8.23300
ASSI ( resid 36 and name HN )
     ( resid 37 and name HN )
     6.0 0.1 0.1 peak 59 weight 1.1 volume 21.81670 ppm1 9.49300 ppm2 8.47400
ASSI ( resid 36 and name HN )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 60 weight 1.1 volume 182.57910 ppm1 9.49400 ppm2 8.79400
ASSI ( resid 36 and name HN )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 61 weight 1.1 volume 73.11100 ppm1 9.49300 ppm2 8.86400
ASSI ( resid 39 and name HN )
     ( resid 47 and name HN )
     6.0 0.1 0.1 peak 62 weight 1.1 volume 181.50951 ppm1 9.16700 ppm2 9.00900
ASSI ( resid 39 and name HN )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 63 weight 1.1 volume 78.27240 ppm1 9.16700 ppm2 8.87500
ASSI ( resid 24 and name HN )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 64 weight 1.1 volume 198.17529 ppm1 9.13500 ppm2 8.87400
  OR ( resid 24 and name HN )
     ( resid 23 and name HN )
ASSI ( resid 39 and name HN )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 65 weight 1.1 volume 48.31310 ppm1 9.16500 ppm2 8.72100
ASSI ( resid 54 and name HN )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 66 weight 1.1 volume 185.85519 ppm1 8.93000 ppm2 8.44100
  OR ( resid 54 and name HN )
     ( resid 50 and name HN )
  OR ( resid 11 and name HN )
     ( resid 55 and name HN )
  OR ( resid 11 and name HN )
     ( resid 50 and name HN )
ASSI ( resid 39 and name HN )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 67 weight 1.1 volume 63.11250 ppm1 9.16800 ppm2 9.93500
ASSI ( resid 48 and name HN )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 68 weight 1.1 volume 74.96420 ppm1 9.08300 ppm2 9.93300
ASSI ( resid 8 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 69 weight 1.1 volume 58.21300 ppm1 9.15900 ppm2 10.16900
ASSI ( resid 48 and name HN )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 70 weight 1.1 volume 49.11230 ppm1 9.08100 ppm2 8.92300
ASSI ( resid 25 and name HN )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 71 weight 1.1 volume 82.05410 ppm1 9.00000 ppm2 8.79100
ASSI ( resid 41 and name HN )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 72 weight 1.1 volume 97.11960 ppm1 8.95800 ppm2 8.72400
  OR ( resid 41 and name HN )
     ( resid 42 and name HN )
ASSI ( resid 47 and name HN )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 73 weight 1.1 volume 49.63850 ppm1 9.00400 ppm2 8.60400
ASSI ( resid 11 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 74 weight 1.1 volume 41.78210 ppm1 8.91800 ppm2 8.63500
ASSI ( resid 23 and name HN )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 75 weight 1.1 volume 47.05110 ppm1 8.87100 ppm2 8.72300
  OR ( resid 38 and name HN )
     ( resid 40 and name HN )
ASSI ( attr store1 < 8.9 and attr store1 > 8.86 )
     ( attr store1 < 8.506 and attr store1 > 8.426 )
     6.0 0.1 0.1 peak 76 volume 27.72330 ppm1 8.88000 ppm2 8.46600
ASSI ( resid 11 and name HN )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 77 weight 1.1 volume 39.20300 ppm1 8.91600 ppm2 8.28900
ASSI ( resid 27 and name HN )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 78 weight 1.1 volume 54.25350 ppm1 8.78900 ppm2 8.22900
ASSI ( resid 11 and name HN )
     ( resid 13 and name HN )
     6.0 0.1 0.1 peak 79 weight 1.1 volume 18.31620 ppm1 8.92000 ppm2 8.08700
ASSI ( resid 41 and name HN )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 80 weight 1.1 volume 32.85060 ppm1 8.95900 ppm2 7.97500
ASSI ( resid 23 and name HN )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 81 weight 1.1 volume 79.48710 ppm1 8.87100 ppm2 7.76400
ASSI ( resid 35 and name HN )
     ( resid 35 and name HD21 )
     6.0 0.1 0.1 peak 82 weight 1.1 volume 92.97350 ppm1 8.86300 ppm2 7.60700
ASSI ( resid 54 and name HN )
     ( resid 55 and name HD1 )
     6.0 0.1 0.1 peak 83 weight 1.1 volume 50.99270 ppm1 8.92900 ppm2 7.57100
ASSI ( resid 54 and name HN )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 84 weight 1.1 volume 57.92530 ppm1 8.92800 ppm2 7.51700
ASSI ( resid 8 and name HN )
     ( resid 9 and name HN )
     6.0 0.1 0.1 peak 85 weight 1.1 volume 521.85742 ppm1 9.15500 ppm2 7.26400
ASSI ( resid 39 and name HN )
     ( resid 39 and name HD1 )
     6.0 0.1 0.1 peak 86 weight 1.1 volume 295.91061 ppm1 9.16258 ppm2 7.13918
  OR ( resid 39 and name HN )
     ( resid 39 and name HD2 )
ASSI ( resid 35 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 87 weight 1.1 volume 66.75230 ppm1 8.86500 ppm2 7.25700
ASSI ( resid 35 and name HN )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 88 weight 1.1 volume 191.87520 ppm1 8.86700 ppm2 7.14200
ASSI ( resid 23 and name HN )
     ( resid 23 and name HE1 )
     6.0 0.1 0.1 peak 89 weight 1.1 volume 100.97520 ppm1 8.86800 ppm2 7.10200
  OR ( resid 23 and name HN )
     ( resid 23 and name HE2 )
ASSI ( resid 41 and name HN )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 90 weight 1.1 volume 106.45000 ppm1 8.95700 ppm2 7.15900
ASSI ( resid 25 and name HN )
     ( resid 23 and name HE1 )
     6.0 0.1 0.1 peak 91 weight 1.1 volume 50.55490 ppm1 9.00000 ppm2 7.10700
  OR ( resid 25 and name HN )
     ( resid 23 and name HE2 )
ASSI ( resid 54 and name HN )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 92 weight 1.1 volume 100.98940 ppm1 8.93200 ppm2 7.15700
ASSI ( attr store1 < 9.023 and attr store1 > 8.983 )
     ( attr store1 < 7.185 and attr store1 > 7.105 )
     6.0 0.1 0.1 peak 93 volume 49.91130 ppm1 9.00300 ppm2 7.14500
ASSI ( resid 24 and name HN )
     ( resid 40 and name HD2 )
     6.0 0.1 0.1 peak 94 weight 1.1 volume 114.27100 ppm1 9.13300 ppm2 6.90300
ASSI ( resid 24 and name HN )
     ( resid 23 and name HD1 )
     6.0 0.1 0.1 peak 95 weight 1.1 volume 209.83940 ppm1 9.13700 ppm2 6.84700
  OR ( resid 24 and name HN )
     ( resid 23 and name HD2 )
ASSI ( attr store1 < 9.104 and attr store1 > 9.064 )
     ( attr store1 < 6.904 and attr store1 > 6.824 )
     6.0 0.1 0.1 peak 96 volume 39.17640 ppm1 9.08400 ppm2 6.86400
ASSI ( resid 39 and name HN )
     ( resid 39 and name HE1 )
     6.0 0.1 0.1 peak 97 weight 1.1 volume 42.84140 ppm1 9.16100 ppm2 6.74700
  OR ( resid 39 and name HN )
     ( resid 39 and name HE2 )
ASSI ( resid 25 and name HN )
     ( resid 23 and name HD1 )
     6.0 0.1 0.1 peak 98 weight 1.1 volume 82.02880 ppm1 9.00200 ppm2 6.84700
  OR ( resid 25 and name HN )
     ( resid 23 and name HD2 )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HD1 )
     6.0 0.1 0.1 peak 99 weight 1.1 volume 258.26791 ppm1 8.91700 ppm2 6.86700
  OR ( resid 11 and name HN )
     ( resid 10 and name HD2 )
ASSI ( resid 23 and name HN )
     ( resid 23 and name HD1 )
     6.0 0.1 0.1 peak 100 weight 1.1 volume 418.67371 ppm1 8.87000 ppm2 6.84800
  OR ( resid 23 and name HN )
     ( resid 23 and name HD2 )
ASSI ( resid 23 and name HN )
     ( resid 40 and name HD2 )
     6.0 0.1 0.1 peak 101 weight 1.1 volume 131.58910 ppm1 8.86900 ppm2 6.90100
ASSI ( resid 24 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 102 weight 1.1 volume 629.98969 ppm1 9.12900 ppm2 5.91200
ASSI ( resid 23 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 103 weight 1.1 volume 251.59810 ppm1 8.86900 ppm2 5.91200
ASSI ( resid 54 and name HN )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 104 weight 1.1 volume 34.92840 ppm1 8.93100 ppm2 5.77900
ASSI ( resid 39 and name HN )
     ( resid 46 and name HA )
     6.0 0.1 0.1 peak 105 weight 1.1 volume 49.90640 ppm1 9.17500 ppm2 5.46800
ASSI ( attr store1 < 9.096 and attr store1 > 9.056 )
     ( attr store1 < 5.506 and attr store1 > 5.426 )
     6.0 0.1 0.1 peak 106 volume 32.39070 ppm1 9.07600 ppm2 5.46600
ASSI ( resid 41 and name HN )
     ( resid 46 and name HA )
     6.0 0.1 0.1 peak 107 weight 1.1 volume 214.98460 ppm1 8.95300 ppm2 5.46200
ASSI ( resid 41 and name HN )
     ( resid 41 and name HA )
     6.0 0.1 0.1 peak 108 weight 1.1 volume 188.62810 ppm1 8.95200 ppm2 5.41300
ASSI ( resid 47 and name HN )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 109 weight 1.1 volume 185.36140 ppm1 9.01200 ppm2 5.55200
ASSI ( resid 41 and name HN )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 110 weight 1.1 volume 809.61749 ppm1 8.95500 ppm2 5.55200
ASSI ( resid 47 and name HN )
     ( resid 46 and name HA )
     6.0 0.1 0.1 peak 111 weight 1.1 volume 714.33282 ppm1 9.00600 ppm2 5.46600
ASSI ( resid 21 and name HN )
     ( resid 41 and name HA )
     6.0 0.1 0.1 peak 112 weight 1.1 volume 282.53229 ppm1 8.76600 ppm2 5.41000
ASSI ( resid 42 and name HN )
     ( resid 41 and name HA )
     6.0 0.1 0.1 peak 113 weight 1.1 volume 444.59030 ppm1 8.72400 ppm2 5.41100
ASSI ( resid 39 and name HN )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 114 weight 1.1 volume 176.67050 ppm1 9.16600 ppm2 5.09400
ASSI ( resid 40 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 115 weight 1.1 volume 169.42380 ppm1 8.72200 ppm2 5.91000
ASSI ( resid 46 and name HN )
     ( resid 46 and name HA )
     6.0 0.1 0.1 peak 116 weight 1.1 volume 225.80550 ppm1 8.60200 ppm2 5.46700
ASSI ( resid 26 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 117 weight 1.1 volume 82.59930 ppm1 8.79000 ppm2 5.19900
  OR ( resid 27 and name HN )
     ( resid 35 and name HA )
ASSI ( resid 35 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 118 weight 1.1 volume 193.29849 ppm1 8.86200 ppm2 5.19800
ASSI ( resid 40 and name HN )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 119 weight 1.1 volume 188.85870 ppm1 8.72400 ppm2 5.55300
ASSI ( resid 24 and name HN )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 120 weight 1.1 volume 118.00860 ppm1 9.13500 ppm2 5.09400
ASSI ( resid 23 and name HN )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 121 weight 1.1 volume 65.46230 ppm1 8.86900 ppm2 5.09100
  OR ( resid 38 and name HN )
     ( resid 39 and name HA )
ASSI ( resid 11 and name HN )
     ( resid 49 and name HA )
     6.0 0.1 0.1 peak 122 weight 1.1 volume 139.77609 ppm1 8.91800 ppm2 5.05300
ASSI ( resid 40 and name HN )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 123 weight 1.1 volume 531.28912 ppm1 8.72300 ppm2 5.09600
ASSI ( resid 27 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 124 weight 1.1 volume 254.14990 ppm1 8.78700 ppm2 4.94300
ASSI ( resid 11 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 125 weight 1.1 volume 490.40341 ppm1 8.91800 ppm2 4.92100
ASSI ( attr store1 < 8.885 and attr store1 > 8.845 )
     ( attr store1 < 4.971 and attr store1 > 4.891 )
     6.0 0.1 0.1 peak 126 volume 52.71720 ppm1 8.86500 ppm2 4.93100
ASSI ( resid 11 and name HN )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 127 weight 1.1 volume 27.53500 ppm1 8.91700 ppm2 4.82800
ASSI ( resid 48 and name HN )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 128 weight 1.1 volume 156.60600 ppm1 9.08300 ppm2 4.82700
ASSI ( resid 39 and name HN )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 129 weight 1.1 volume 116.31680 ppm1 9.17000 ppm2 4.82500
ASSI ( resid 12 and name HN )
     ( resid 12 and name HA )
     6.0 0.1 0.1 peak 130 weight 1.1 volume 325.12350 ppm1 8.62900 ppm2 4.91200
ASSI ( resid 38 and name HN )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 131 weight 1.1 volume 35.04510 ppm1 8.87200 ppm2 4.81900
ASSI ( resid 39 and name HN )
     ( resid 38 and name HA )
     6.0 0.1 0.1 peak 132 weight 1.1 volume 749.67548 ppm1 9.16900 ppm2 4.68500
ASSI ( resid 8 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 133 weight 1.1 volume 813.79669 ppm1 9.15600 ppm2 4.56900
ASSI ( resid 48 and name HN )
     ( resid 38 and name HA )
     6.0 0.1 0.1 peak 134 weight 1.1 volume 50.72310 ppm1 9.08400 ppm2 4.68800
ASSI ( resid 48 and name HN )
     ( resid 11 and name HB )
     6.0 0.1 0.1 peak 135 weight 1.1 volume 29.93120 ppm1 9.08100 ppm2 4.46000
ASSI ( resid 25 and name HN )
     ( resid 25 and name HA )
     6.0 0.1 0.1 peak 136 weight 1.1 volume 286.25339 ppm1 9.00000 ppm2 4.66400
ASSI ( resid 41 and name HN )
     ( resid 41 and name HB )
     6.0 0.1 0.1 peak 137 weight 1.1 volume 117.86350 ppm1 8.95800 ppm2 4.64300
ASSI ( resid 35 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 138 weight 1.1 volume 1038.72400 ppm1 8.87400 ppm2 4.68200
  OR ( resid 35 and name HN )
     ( resid 38 and name HA )
  OR ( resid 35 and name HN )
     ( resid 25 and name HA )
  OR ( resid 38 and name HN )
     ( resid 34 and name HA )
  OR ( resid 38 and name HN )
     ( resid 38 and name HA )
  OR ( resid 38 and name HN )
     ( resid 25 and name HA )
ASSI ( resid 27 and name HN )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 139 weight 1.1 volume 1272.35400 ppm1 8.79200 ppm2 4.62000
  OR ( resid 26 and name HN )
     ( resid 26 and name HA )
ASSI ( resid 42 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 140 weight 1.1 volume 87.33820 ppm1 8.72400 ppm2 4.71200
ASSI ( resid 46 and name HN )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 141 weight 1.1 volume 1021.37738 ppm1 8.60200 ppm2 4.63700
ASSI ( resid 12 and name HN )
     ( resid 11 and name HB )
     6.0 0.1 0.1 peak 142 weight 1.1 volume 166.46271 ppm1 8.63200 ppm2 4.45500
ASSI ( resid 12 and name HN )
     ( resid 11 and name HA )
     6.0 0.1 0.1 peak 143 weight 1.1 volume 774.91852 ppm1 8.63400 ppm2 4.50300
ASSI ( resid 2 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 144 weight 1.1 volume 122.33690 ppm1 8.66700 ppm2 4.47200
ASSI ( resid 21 and name HN )
     ( resid 21 and name HA )
     6.0 0.1 0.1 peak 145 weight 1.1 volume 299.57901 ppm1 8.77300 ppm2 4.46100
ASSI ( resid 11 and name HN )
     ( resid 11 and name HA )
     6.0 0.1 0.1 peak 146 weight 1.1 volume 215.93401 ppm1 8.91600 ppm2 4.50200
ASSI ( resid 11 and name HN )
     ( resid 11 and name HB )
     6.0 0.1 0.1 peak 147 weight 1.1 volume 549.07098 ppm1 8.91900 ppm2 4.46100
ASSI ( resid 42 and name HN )
     ( resid 43 and name HA )
     6.0 0.1 0.1 peak 148 weight 1.1 volume 88.37950 ppm1 8.72300 ppm2 4.36800
ASSI ( resid 26 and name HN )
     ( resid 37 and name HA )
     6.0 0.1 0.1 peak 149 weight 1.1 volume 279.64569 ppm1 8.78800 ppm2 4.37300
ASSI ( resid 38 and name HN )
     ( resid 37 and name HA )
     6.0 0.1 0.1 peak 150 weight 1.1 volume 1266.83179 ppm1 8.87100 ppm2 4.37900
  OR ( resid 38 and name HN )
     ( resid 22 and name HA2 )
  OR ( resid 23 and name HN )
     ( resid 37 and name HA )
  OR ( resid 23 and name HN )
     ( resid 22 and name HA2 )
ASSI ( resid 25 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 151 weight 1.1 volume 1085.67419 ppm1 9.00800 ppm2 4.35200
  OR ( resid 25 and name HN )
     ( resid 47 and name HA )
  OR ( resid 47 and name HN )
     ( resid 24 and name HA )
  OR ( resid 47 and name HN )
     ( resid 47 and name HA )
ASSI ( resid 48 and name HN )
     ( resid 47 and name HA )
     6.0 0.1 0.1 peak 152 weight 1.1 volume 1070.25745 ppm1 9.08200 ppm2 4.35400
ASSI ( resid 24 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 153 weight 1.1 volume 375.21701 ppm1 9.13300 ppm2 4.35100
ASSI ( resid 42 and name HN )
     ( resid 41 and name HB )
     6.0 0.1 0.1 peak 154 weight 1.1 volume 495.96411 ppm1 8.72400 ppm2 4.64400
ASSI ( resid 18 and name HN )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 155 weight 1.1 volume 56.11990 ppm1 8.55300 ppm2 4.89200
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
     ( attr store1 < 4.813 and attr store1 > 4.733 )
     6.0 0.1 0.1 peak 156 volume 33.00730 ppm1 5.77200 ppm2 4.77300
ASSI ( resid 23 and name HA )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 157 weight 1.1 volume 286.55521 ppm1 5.91100 ppm2 5.09500
ASSI ( resid 8 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 158 weight 1.1 volume 210.10760 ppm1 9.15700 ppm2 4.28600
ASSI ( resid 54 and name HN )
     ( resid 54 and name HA )
     6.0 0.1 0.1 peak 159 weight 1.1 volume 433.97839 ppm1 8.93000 ppm2 4.28700
ASSI ( resid 54 and name HN )
     ( resid 53 and name HA )
     6.0 0.1 0.1 peak 160 weight 1.1 volume 940.17877 ppm1 8.93000 ppm2 4.24200
ASSI ( resid 21 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 161 weight 1.1 volume 609.42767 ppm1 8.77200 ppm2 4.24400
ASSI ( resid 12 and name HN )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 162 weight 1.1 volume 49.02940 ppm1 8.63200 ppm2 4.16900
ASSI ( resid 40 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 163 weight 1.1 volume 164.51060 ppm1 8.72600 ppm2 4.24600
  OR ( resid 42 and name HN )
     ( resid 20 and name HA )
ASSI ( resid 2 and name HN )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 164 weight 1.1 volume 319.81680 ppm1 8.66100 ppm2 4.09500
ASSI ( resid 21 and name HN )
     ( resid 42 and name HA )
     6.0 0.1 0.1 peak 165 weight 1.1 volume 44.84460 ppm1 8.77100 ppm2 4.08300
  OR ( resid 21 and name HN )
     ( resid 18 and name HA )
ASSI ( resid 38 and name HN )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 166 weight 1.1 volume 71.05640 ppm1 8.87100 ppm2 4.01500
ASSI ( resid 25 and name HN )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 167 weight 1.1 volume 264.74011 ppm1 9.00000 ppm2 4.01500
ASSI ( resid 41 and name HN )
     ( resid 44 and name HA )
     6.0 0.1 0.1 peak 168 weight 1.1 volume 32.60770 ppm1 8.95200 ppm2 3.95900
ASSI ( resid 24 and name HN )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 169 weight 1.1 volume 183.87440 ppm1 9.13400 ppm2 4.01600
ASSI ( resid 42 and name HN )
     ( resid 42 and name HA )
     6.0 0.1 0.1 peak 170 weight 1.1 volume 269.59201 ppm1 8.72400 ppm2 4.08200
ASSI ( resid 47 and name HN )
     ( resid 46 and name HB1 )
     6.0 0.1 0.1 peak 171 weight 1.1 volume 111.46530 ppm1 9.00700 ppm2 3.69500
ASSI ( resid 54 and name HN )
     ( resid 54 and name HB )
     6.0 0.1 0.1 peak 172 weight 1.1 volume 358.27029 ppm1 8.92900 ppm2 3.62500
ASSI ( resid 47 and name HN )
     ( resid 46 and name HB2 )
     6.0 0.1 0.1 peak 173 weight 1.1 volume 177.68260 ppm1 9.00700 ppm2 3.57000
ASSI ( resid 48 and name HN )
     ( resid 48 and name HB1 )
     6.0 0.1 0.1 peak 174 weight 1.1 volume 424.71170 ppm1 9.08200 ppm2 3.51400
ASSI ( resid 11 and name HN )
     ( resid 48 and name HB1 )
     6.0 0.1 0.1 peak 175 weight 1.1 volume 55.53690 ppm1 8.91800 ppm2 3.51200
ASSI ( resid 11 and name HN )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 176 weight 1.1 volume 130.03220 ppm1 8.91800 ppm2 3.35400
ASSI ( resid 41 and name HN )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 177 weight 1.1 volume 162.64200 ppm1 8.96000 ppm2 3.32500
ASSI ( resid 25 and name HN )
     ( resid 25 and name HD2 )
     6.0 0.1 0.1 peak 178 weight 1.1 volume 63.82210 ppm1 8.99900 ppm2 3.21000
  OR ( resid 25 and name HN )
     ( resid 25 and name HD1 )
ASSI ( resid 40 and name HN )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 179 weight 1.1 volume 204.09331 ppm1 8.71800 ppm2 3.32300
ASSI ( resid 42 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 180 weight 1.1 volume 54.58380 ppm1 8.72300 ppm2 3.58200
ASSI ( resid 2 and name HN )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 181 weight 1.1 volume 147.06779 ppm1 8.66100 ppm2 3.75700
  OR ( resid 2 and name HN )
     ( resid 2 and name HB2 )
ASSI ( resid 40 and name HE1 )
     ( resid 46 and name HB1 )
     6.0 0.1 0.1 peak 182 weight 1.1 volume 39.91040 ppm1 8.52900 ppm2 3.69400
ASSI ( resid 46 and name HN )
     ( resid 46 and name HB2 )
     6.0 0.1 0.1 peak 183 weight 1.1 volume 184.47211 ppm1 8.60200 ppm2 3.57000
ASSI ( resid 40 and name HE1 )
     ( resid 46 and name HB2 )
     6.0 0.1 0.1 peak 184 weight 1.1 volume 41.58780 ppm1 8.53000 ppm2 3.57300
ASSI ( resid 46 and name HN )
     ( resid 46 and name HB1 )
     6.0 0.1 0.1 peak 185 weight 1.1 volume 291.17691 ppm1 8.60200 ppm2 3.69700
ASSI ( resid 11 and name HN )
     ( resid 48 and name HB2 )
     6.0 0.1 0.1 peak 186 weight 1.1 volume 80.20330 ppm1 8.91900 ppm2 3.11400
ASSI ( resid 48 and name HN )
     ( resid 48 and name HB2 )
     6.0 0.1 0.1 peak 187 weight 1.1 volume 311.05179 ppm1 9.08200 ppm2 3.10800
ASSI ( attr store1 < 9.182 and attr store1 > 9.142 )
     ( attr store1 < 3.142 and attr store1 > 3.062 )
     6.0 0.1 0.1 peak 188 volume 37.44770 ppm1 9.16200 ppm2 3.10200
ASSI ( resid 39 and name HN )
     ( resid 39 and name HB1 )
     6.0 0.1 0.1 peak 189 weight 1.1 volume 221.07570 ppm1 9.16800 ppm2 3.01700
ASSI ( resid 24 and name HN )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 190 weight 1.1 volume 234.56689 ppm1 9.13100 ppm2 2.93900
ASSI ( attr store1 < 9.102 and attr store1 > 9.062 )
     ( attr store1 < 2.882 and attr store1 > 2.802 )
     6.0 0.1 0.1 peak 191 volume 36.55830 ppm1 9.08200 ppm2 2.84200
ASSI ( resid 8 and name HN )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 192 weight 1.1 volume 214.31390 ppm1 9.15700 ppm2 2.85800
ASSI ( resid 39 and name HN )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 193 weight 1.1 volume 263.55121 ppm1 9.16800 ppm2 2.78700
ASSI ( resid 8 and name HN )
     ( resid 6 and name HB2 )
     6.0 0.1 0.1 peak 194 weight 1.1 volume 105.38700 ppm1 9.15600 ppm2 2.70300
  OR ( resid 8 and name HN )
     ( resid 7 and name HB2 )
ASSI ( resid 47 and name HN )
     ( resid 39 and name HB1 )
     6.0 0.1 0.1 peak 195 weight 1.1 volume 48.43400 ppm1 9.00900 ppm2 3.01600
ASSI ( resid 47 and name HN )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 196 weight 1.1 volume 58.46150 ppm1 9.00700 ppm2 2.78800
ASSI ( resid 23 and name HN )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 197 weight 1.1 volume 147.10440 ppm1 8.87000 ppm2 2.93800
ASSI ( resid 41 and name HN )
     ( resid 40 and name HB1 )
     6.0 0.1 0.1 peak 198 weight 1.1 volume 64.89510 ppm1 8.95600 ppm2 2.87400
ASSI ( resid 11 and name HN )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 199 weight 1.1 volume 152.89560 ppm1 8.91900 ppm2 2.80600
ASSI ( resid 35 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 200 weight 1.1 volume 610.15509 ppm1 8.86200 ppm2 2.73300
  OR ( resid 35 and name HN )
     ( resid 35 and name HB1 )
ASSI ( resid 40 and name HN )
     ( resid 39 and name HB1 )
     6.0 0.1 0.1 peak 201 weight 1.1 volume 179.42300 ppm1 8.72200 ppm2 3.02100
ASSI ( resid 42 and name HN )
     ( resid 42 and name HE2 )
     6.0 0.1 0.1 peak 202 weight 1.1 volume 290.72571 ppm1 8.72200 ppm2 2.88000
  OR ( resid 42 and name HN )
     ( resid 40 and name HB1 )
  OR ( resid 42 and name HN )
     ( resid 42 and name HE1 )
  OR ( resid 40 and name HN )
     ( resid 42 and name HE2 )
  OR ( resid 40 and name HN )
     ( resid 40 and name HB1 )
  OR ( resid 40 and name HN )
     ( resid 42 and name HE1 )
ASSI ( resid 40 and name HN )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 203 weight 1.1 volume 100.38300 ppm1 8.72100 ppm2 2.78900
ASSI ( resid 12 and name HN )
     ( resid 12 and name HB2 )
     6.0 0.1 0.1 peak 204 weight 1.1 volume 226.83040 ppm1 8.63100 ppm2 2.90300
ASSI ( resid 12 and name HN )
     ( resid 12 and name HB1 )
     6.0 0.1 0.1 peak 205 weight 1.1 volume 242.86890 ppm1 8.63100 ppm2 2.82100
ASSI ( resid 23 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 206 weight 1.1 volume 145.56200 ppm1 8.86900 ppm2 2.63300
ASSI ( resid 40 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 207 weight 1.1 volume 44.71080 ppm1 8.72200 ppm2 2.63200
ASSI ( resid 24 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 208 weight 1.1 volume 286.89661 ppm1 9.13500 ppm2 2.62900
ASSI ( resid 54 and name HN )
     ( resid 53 and name HG1 )
     6.0 0.1 0.1 peak 209 weight 1.1 volume 131.51421 ppm1 8.93000 ppm2 2.44700
ASSI ( resid 54 and name HN )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 210 weight 1.1 volume 83.10320 ppm1 8.92900 ppm2 2.20200
ASSI ( resid 27 and name HN )
     ( resid 26 and name HG1 )
     6.0 0.1 0.1 peak 211 weight 1.1 volume 237.88930 ppm1 8.79100 ppm2 2.25100
  OR ( resid 27 and name HN )
     ( resid 30 and name HG1 )
  OR ( resid 26 and name HN )
     ( resid 26 and name HG1 )
  OR ( resid 26 and name HN )
     ( resid 30 and name HG1 )
ASSI ( resid 27 and name HN )
     ( resid 26 and name HG2 )
     6.0 0.1 0.1 peak 212 weight 1.1 volume 379.48990 ppm1 8.78200 ppm2 2.19400
  OR ( resid 27 and name HN )
     ( resid 21 and name HB )
  OR ( resid 21 and name HN )
     ( resid 26 and name HG2 )
  OR ( resid 21 and name HN )
     ( resid 21 and name HB )
  OR ( resid 26 and name HN )
     ( resid 26 and name HG2 )
  OR ( resid 26 and name HN )
     ( resid 21 and name HB )
ASSI ( resid 47 and name HN )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 213 weight 1.1 volume 303.62970 ppm1 9.00700 ppm2 2.03100
ASSI ( resid 48 and name HN )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 214 weight 1.1 volume 82.16930 ppm1 9.08200 ppm2 2.03100
ASSI ( resid 26 and name HN )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 215 weight 1.1 volume 416.94370 ppm1 8.78800 ppm2 2.04500
  OR ( resid 27 and name HN )
     ( resid 26 and name HB1 )
ASSI ( resid 42 and name HN )
     ( resid 42 and name HB1 )
     6.0 0.1 0.1 peak 216 weight 1.1 volume 272.05511 ppm1 8.72400 ppm2 1.97900
ASSI ( resid 18 and name HN )
     ( resid 17 and name HG2 )
     6.0 0.1 0.1 peak 217 weight 1.1 volume 52.80800 ppm1 8.55300 ppm2 1.92000
  OR ( resid 18 and name HN )
     ( resid 17 and name HG1 )
ASSI ( resid 18 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 218 weight 1.1 volume 119.04960 ppm1 8.55300 ppm2 2.04000
ASSI ( resid 18 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 219 weight 1.1 volume 140.15210 ppm1 8.55200 ppm2 2.15600
ASSI ( resid 42 and name HN )
     ( resid 42 and name HB2 )
     6.0 0.1 0.1 peak 220 weight 1.1 volume 355.33109 ppm1 8.72400 ppm2 1.86300
ASSI ( resid 26 and name HN )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 221 weight 1.1 volume 615.88751 ppm1 8.78900 ppm2 1.88600
  OR ( resid 27 and name HN )
     ( resid 26 and name HB2 )
ASSI ( resid 35 and name HN )
     ( resid 34 and name HB )
     6.0 0.1 0.1 peak 222 weight 1.1 volume 503.96030 ppm1 8.86300 ppm2 1.90600
ASSI ( resid 54 and name HN )
     ( resid 53 and name HB1 )
     6.0 0.1 0.1 peak 223 weight 1.1 volume 302.36710 ppm1 8.93000 ppm2 1.86500
  OR ( resid 54 and name HN )
     ( resid 53 and name HB2 )
ASSI ( resid 39 and name HN )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 224 weight 1.1 volume 105.72090 ppm1 9.16800 ppm2 2.03100
ASSI ( resid 24 and name HN )
     ( resid 38 and name HB )
     6.0 0.1 0.1 peak 225 weight 1.1 volume 140.49570 ppm1 9.13400 ppm2 1.77300
ASSI ( resid 38 and name HN )
     ( resid 38 and name HB )
     6.0 0.1 0.1 peak 226 weight 1.1 volume 283.16061 ppm1 8.87000 ppm2 1.77500
ASSI ( attr store1 < 8.89 and attr store1 > 8.85 )
     ( attr store1 < 1.744 and attr store1 > 1.664 )
     6.0 0.1 0.1 peak 227 volume 74.85250 ppm1 8.87000 ppm2 1.70400
ASSI ( attr store1 < 8.949 and attr store1 > 8.909 )
     ( attr store1 < 1.746 and attr store1 > 1.666 )
     6.0 0.1 0.1 peak 228 volume 73.69810 ppm1 8.92900 ppm2 1.70600
ASSI ( attr store1 < 9.02 and attr store1 > 8.98 )
     ( attr store1 < 1.817 and attr store1 > 1.737 )
     6.0 0.1 0.1 peak 229 volume 33.20610 ppm1 9.00000 ppm2 1.77700
ASSI ( resid 26 and name HN )
     ( resid 25 and name HB2 )
     6.0 0.1 0.1 peak 230 weight 1.1 volume 377.48920 ppm1 8.79000 ppm2 1.69600
  OR ( resid 26 and name HN )
     ( resid 25 and name HB1 )
ASSI ( resid 42 and name HN )
     ( resid 42 and name HD2 )
     6.0 0.1 0.1 peak 231 weight 1.1 volume 45.25420 ppm1 8.72300 ppm2 1.72600
ASSI ( resid 48 and name HN )
     ( resid 11 and name HG21 )
     6.0 0.1 0.1 peak 232 weight 1.1 volume 41.03670 ppm1 9.08300 ppm2 1.52600
ASSI ( resid 25 and name HN )
     ( resid 25 and name HB1 )
     6.0 0.1 0.1 peak 233 weight 1.1 volume 732.81311 ppm1 8.99900 ppm2 1.69600
  OR ( resid 25 and name HN )
     ( resid 25 and name HB2 )
ASSI ( resid 39 and name HN )
     ( resid 38 and name HB )
     6.0 0.1 0.1 peak 234 weight 1.1 volume 54.61420 ppm1 9.16400 ppm2 1.77700
ASSI ( resid 8 and name HN )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 235 weight 1.1 volume 488.64249 ppm1 9.15800 ppm2 1.58000
  OR ( resid 8 and name HN )
     ( resid 8 and name HB2 )
ASSI ( resid 39 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 236 weight 1.1 volume 100.02340 ppm1 9.16500 ppm2 1.35800
ASSI ( resid 25 and name HN )
     ( resid 25 and name HG2 )
     6.0 0.1 0.1 peak 237 weight 1.1 volume 133.97490 ppm1 8.99900 ppm2 1.43200
  OR ( resid 25 and name HN )
     ( resid 25 and name HG1 )
ASSI ( resid 11 and name HN )
     ( resid 11 and name HG21 )
     6.0 0.1 0.1 peak 238 weight 1.1 volume 545.96411 ppm1 8.91800 ppm2 1.52500
ASSI ( attr store1 < 8.949 and attr store1 > 8.909 )
     ( attr store1 < 1.502 and attr store1 > 1.422 )
     6.0 0.1 0.1 peak 239 volume 31.40830 ppm1 8.92900 ppm2 1.46200
ASSI ( resid 38 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 240 weight 1.1 volume 260.68161 ppm1 8.87100 ppm2 1.35900
ASSI ( resid 26 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 241 weight 1.1 volume 184.41730 ppm1 8.79100 ppm2 1.35500
ASSI ( resid 26 and name HN )
     ( resid 25 and name HG1 )
     6.0 0.1 0.1 peak 242 weight 1.1 volume 164.44051 ppm1 8.79100 ppm2 1.42300
ASSI ( resid 27 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 243 weight 1.1 volume 692.66052 ppm1 8.79000 ppm2 1.50100
  OR ( resid 27 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 40 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 244 weight 1.1 volume 158.91521 ppm1 8.72000 ppm2 1.42600
ASSI ( resid 42 and name HN )
     ( resid 42 and name HG1 )
     6.0 0.1 0.1 peak 245 weight 1.1 volume 240.65480 ppm1 8.72400 ppm2 1.47800
  OR ( resid 42 and name HN )
     ( resid 42 and name HG2 )
ASSI ( resid 21 and name HN )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 246 weight 1.1 volume 111.61620 ppm1 8.77100 ppm2 1.16500
ASSI ( resid 42 and name HN )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 247 weight 1.1 volume 259.55701 ppm1 8.72400 ppm2 1.16500
  OR ( resid 40 and name HN )
     ( resid 41 and name HG21 )
ASSI ( attr store1 < 8.891 and attr store1 > 8.851 )
     ( attr store1 < 1.208 and attr store1 > 1.128 )
     6.0 0.1 0.1 peak 248 volume 139.84900 ppm1 8.87100 ppm2 1.16800
ASSI ( resid 54 and name HN )
     ( resid 54 and name HG21 )
     6.0 0.1 0.1 peak 249 weight 1.1 volume 291.70190 ppm1 8.92800 ppm2 1.23600
ASSI ( resid 11 and name HN )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 250 weight 1.1 volume 221.37430 ppm1 8.92800 ppm2 1.16500
ASSI ( resid 41 and name HN )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 251 weight 1.1 volume 406.25201 ppm1 8.95600 ppm2 1.16500
ASSI ( resid 47 and name HN )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 252 weight 1.1 volume 557.37073 ppm1 8.99900 ppm2 1.17900
  OR ( resid 47 and name HN )
     ( resid 47 and name HG11 )
  OR ( resid 47 and name HN )
     ( resid 24 and name HG21 )
  OR ( resid 25 and name HN )
     ( resid 41 and name HG21 )
  OR ( resid 25 and name HN )
     ( resid 47 and name HG11 )
  OR ( resid 25 and name HN )
     ( resid 24 and name HG21 )
ASSI ( resid 48 and name HN )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 253 weight 1.1 volume 358.64810 ppm1 9.08200 ppm2 1.16800
ASSI ( resid 24 and name HN )
     ( resid 24 and name HG1 )
     6.0 0.1 0.1 peak 254 weight 1.1 volume 160.99210 ppm1 9.13200 ppm2 1.18100
ASSI ( resid 39 and name HN )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 255 weight 1.1 volume 101.64950 ppm1 9.17100 ppm2 1.16900
ASSI ( resid 39 and name HN )
     ( resid 49 and name HB1 )
     6.0 0.1 0.1 peak 256 weight 1.1 volume 21.43890 ppm1 9.16700 ppm2 1.23900
ASSI ( resid 35 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 257 weight 1.1 volume 310.90930 ppm1 8.86400 ppm2 1.08700
ASSI ( resid 38 and name HN )
     ( resid 38 and name HG11 )
     6.0 0.1 0.1 peak 258 weight 1.1 volume 150.75349 ppm1 8.87100 ppm2 1.03500
  OR ( resid 38 and name HN )
     ( resid 38 and name HG12 )
ASSI ( resid 21 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 259 weight 1.1 volume 380.77521 ppm1 8.77500 ppm2 1.04700
ASSI ( resid 40 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 260 weight 1.1 volume 196.09070 ppm1 8.72200 ppm2 1.04700
ASSI ( resid 42 and name HN )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 261 weight 1.1 volume 48.78470 ppm1 8.72700 ppm2 0.95400
  OR ( resid 40 and name HN )
     ( resid 20 and name HG12 )
ASSI ( resid 21 and name HN )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 262 weight 1.1 volume 58.01130 ppm1 8.77100 ppm2 0.95400
ASSI ( resid 27 and name HN )
     ( resid 27 and name HD11 )
     6.0 0.1 0.1 peak 263 weight 1.1 volume 319.79709 ppm1 8.78800 ppm2 0.81700
ASSI ( resid 21 and name HN )
     ( resid 21 and name HG11 )
     6.0 0.1 0.1 peak 264 weight 1.1 volume 264.33731 ppm1 8.77100 ppm2 0.87700
ASSI ( resid 27 and name HN )
     ( resid 27 and name HD21 )
     6.0 0.1 0.1 peak 265 weight 1.1 volume 345.49280 ppm1 8.78800 ppm2 0.85900
ASSI ( resid 42 and name HN )
     ( resid 21 and name HG11 )
     6.0 0.1 0.1 peak 266 weight 1.1 volume 154.51221 ppm1 8.72400 ppm2 0.88100
ASSI ( resid 21 and name HN )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 267 weight 1.1 volume 401.30640 ppm1 8.77300 ppm2 0.72500
ASSI ( resid 42 and name HN )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 268 weight 1.1 volume 152.27400 ppm1 8.72700 ppm2 0.72500
ASSI ( resid 35 and name HN )
     ( resid 34 and name HG21 )
     6.0 0.1 0.1 peak 269 weight 1.1 volume 270.08749 ppm1 8.86300 ppm2 0.69000
ASSI ( resid 38 and name HN )
     ( resid 38 and name HD11 )
     6.0 0.1 0.1 peak 270 weight 1.1 volume 318.37729 ppm1 8.87300 ppm2 0.86300
ASSI ( attr store1 < 8.975 and attr store1 > 8.935 )
     ( attr store1 < 0.765 and attr store1 > 0.685 )
     6.0 0.1 0.1 peak 271 volume 38.12210 ppm1 8.95500 ppm2 0.72500
ASSI ( resid 47 and name HN )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 272 weight 1.1 volume 108.79990 ppm1 9.00100 ppm2 0.86000
ASSI ( attr store1 < 8.978 and attr store1 > 8.938 )
     ( attr store1 < 0.913 and attr store1 > 0.833 )
     6.0 0.1 0.1 peak 273 volume 36.42570 ppm1 8.95800 ppm2 0.87300
ASSI ( resid 47 and name HN )
     ( resid 47 and name HG21 )
     6.0 0.1 0.1 peak 274 weight 1.1 volume 268.40521 ppm1 9.00700 ppm2 0.95400
ASSI ( attr store1 < 8.979 and attr store1 > 8.939 )
     ( attr store1 < 0.994 and attr store1 > 0.914 )
     6.0 0.1 0.1 peak 275 volume 50.08050 ppm1 8.95900 ppm2 0.95400
ASSI ( resid 48 and name HN )
     ( resid 47 and name HG21 )
     6.0 0.1 0.1 peak 276 weight 1.1 volume 166.91330 ppm1 9.08200 ppm2 0.95500
ASSI ( resid 48 and name HN )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 277 weight 1.1 volume 26.20900 ppm1 9.08300 ppm2 0.86400
  OR ( resid 48 and name HN )
     ( resid 38 and name HD11 )
ASSI ( resid 8 and name HN )
     ( resid 8 and name HD11 )
     6.0 0.1 0.1 peak 278 weight 1.1 volume 129.08940 ppm1 9.15800 ppm2 0.74200
ASSI ( resid 8 and name HN )
     ( resid 8 and name HD21 )
     6.0 0.1 0.1 peak 279 weight 1.1 volume 271.35159 ppm1 9.16300 ppm2 0.86200
  OR ( resid 8 and name HN )
     ( resid 15 and name HD21 )
  OR ( resid 39 and name HN )
     ( resid 8 and name HD21 )
  OR ( resid 39 and name HN )
     ( resid 15 and name HD21 )
ASSI ( resid 39 and name HN )
     ( resid 47 and name HG21 )
     6.0 0.1 0.1 peak 280 weight 1.1 volume 69.16320 ppm1 9.16800 ppm2 0.95700
ASSI ( resid 39 and name HN )
     ( resid 38 and name HG12 )
     6.0 0.1 0.1 peak 281 weight 1.1 volume 93.17910 ppm1 9.16800 ppm2 1.04000
  OR ( resid 39 and name HN )
     ( resid 38 and name HG11 )
ASSI ( resid 24 and name HN )
     ( resid 38 and name HG11 )
     6.0 0.1 0.1 peak 282 weight 1.1 volume 35.71500 ppm1 9.13400 ppm2 1.03800
ASSI ( resid 39 and name HN )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 283 weight 1.1 volume 387.72360 ppm1 9.15532 ppm2 0.52363
  OR ( resid 24 and name HN )
     ( resid 38 and name HG21 )
ASSI ( resid 48 and name HN )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 284 weight 1.1 volume 48.51570 ppm1 9.08300 ppm2 0.52300
ASSI ( resid 47 and name HN )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 285 weight 1.1 volume 288.21671 ppm1 9.00400 ppm2 0.52300
ASSI ( resid 8 and name HN )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 286 weight 1.1 volume 32.21530 ppm1 9.16000 ppm2 0.17000
ASSI ( resid 35 and name HN )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 287 weight 1.1 volume 88.41280 ppm1 8.86100 ppm2 0.17200
ASSI ( resid 21 and name HN )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 288 weight 1.1 volume 64.38040 ppm1 8.77100 ppm2 0.35400
ASSI ( resid 40 and name HN )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 289 weight 1.1 volume 53.16880 ppm1 8.72300 ppm2 0.35300
ASSI ( resid 26 and name HN )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 290 weight 1.1 volume 151.47090 ppm1 8.78900 ppm2 0.53100
ASSI ( resid 38 and name HN )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 291 weight 1.1 volume 379.23090 ppm1 8.87300 ppm2 0.52700
ASSI ( resid 54 and name HN )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 292 weight 1.1 volume 36.96930 ppm1 8.92800 ppm2 -0.55900
ASSI ( resid 38 and name HN )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 293 weight 1.1 volume 346.24869 ppm1 8.87200 ppm2 -0.38000
ASSI ( resid 26 and name HN )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 294 weight 1.1 volume 39.91460 ppm1 8.79100 ppm2 -0.38100
ASSI ( resid 50 and name HN )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 295 weight 1.1 volume 192.21561 ppm1 8.44900 ppm2 -0.55900
ASSI ( resid 37 and name HN )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 296 weight 1.1 volume 123.71530 ppm1 8.47200 ppm2 -0.38200
ASSI ( resid 60 and name HN )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 297 weight 1.1 volume 27.09710 ppm1 8.26700 ppm2 -0.38100
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 298 weight 1.1 volume 77.03580 ppm1 8.43300 ppm2 0.06300
ASSI ( resid 16 and name HN )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 299 weight 1.1 volume 40.46430 ppm1 8.23200 ppm2 0.06200
ASSI ( resid 10 and name HN )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 300 weight 1.1 volume 69.98360 ppm1 8.28700 ppm2 0.17000
ASSI ( resid 50 and name HN )
     ( resid 56 and name HG21 )
     6.0 0.1 0.1 peak 301 weight 1.1 volume 111.77220 ppm1 8.46700 ppm2 0.30800
ASSI ( resid 60 and name HN )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 302 weight 1.1 volume 628.25049 ppm1 8.26800 ppm2 0.28000
ASSI ( resid 16 and name HN )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 303 weight 1.1 volume 91.49290 ppm1 8.23200 ppm2 0.35200
ASSI ( resid 60 and name HN )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 304 weight 1.1 volume 310.37961 ppm1 8.26700 ppm2 0.34400
ASSI ( resid 37 and name HN )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 305 weight 1.1 volume 130.35690 ppm1 8.47300 ppm2 0.52800
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HD11 )
     6.0 0.1 0.1 peak 306 weight 1.1 volume 37.61300 ppm1 8.43400 ppm2 0.51100
ASSI ( resid 40 and name HE1 )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 307 weight 1.1 volume 309.83871 ppm1 8.52900 ppm2 0.52300
ASSI ( resid 46 and name HN )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 308 weight 1.1 volume 54.92640 ppm1 8.60300 ppm2 0.52100
ASSI ( resid 37 and name HN )
     ( resid 37 and name HG12 )
     6.0 0.1 0.1 peak 309 weight 1.1 volume 78.69650 ppm1 8.47400 ppm2 0.78400
ASSI ( resid 33 and name HN )
     ( resid 34 and name HG21 )
     6.0 0.1 0.1 peak 310 weight 1.1 volume 45.47430 ppm1 8.36300 ppm2 0.68900
ASSI ( attr store1 < 8.384 and attr store1 > 8.344 )
     ( attr store1 < 0.785 and attr store1 > 0.705 )
     6.0 0.1 0.1 peak 311 volume 21.29190 ppm1 8.36400 ppm2 0.74500
ASSI ( resid 60 and name HN )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 312 weight 1.1 volume 187.25500 ppm1 8.26800 ppm2 0.63400
  OR ( resid 63 and name HN )
     ( resid 59 and name HG21 )
ASSI ( attr store1 < 8.29 and attr store1 > 8.25 )
     ( attr store1 < 0.754 and attr store1 > 0.674 )
     6.0 0.1 0.1 peak 313 volume 190.05870 ppm1 8.27000 ppm2 0.71400
ASSI ( resid 16 and name HN )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 314 weight 1.1 volume 233.02299 ppm1 8.23300 ppm2 0.72800
ASSI ( resid 16 and name HN )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 315 weight 1.1 volume 140.93430 ppm1 8.23200 ppm2 0.85400
ASSI ( resid 28 and name HN )
     ( resid 27 and name HD11 )
     6.0 0.1 0.1 peak 316 weight 1.1 volume 207.34360 ppm1 8.23200 ppm2 0.81500
ASSI ( resid 63 and name HN )
     ( resid 63 and name HD11 )
     6.0 0.1 0.1 peak 317 weight 1.1 volume 238.95039 ppm1 8.27200 ppm2 0.84300
ASSI ( resid 60 and name HN )
     ( resid 59 and name HG11 )
     6.0 0.1 0.1 peak 318 weight 1.1 volume 226.27260 ppm1 8.26900 ppm2 0.90500
  OR ( resid 60 and name HN )
     ( resid 63 and name HD21 )
  OR ( resid 63 and name HN )
     ( resid 59 and name HG11 )
  OR ( resid 63 and name HN )
     ( resid 63 and name HD21 )
ASSI ( resid 68 and name HN )
     ( resid 67 and name HG21 )
     6.0 0.1 0.1 peak 319 weight 1.1 volume 139.12300 ppm1 8.32600 ppm2 0.91600
  OR ( resid 68 and name HN )
     ( resid 67 and name HG11 )
ASSI ( resid 69 and name HN )
     ( resid 67 and name HG11 )
     6.0 0.1 0.1 peak 320 weight 1.1 volume 22.96840 ppm1 8.45100 ppm2 0.91700
ASSI ( resid 40 and name HE1 )
     ( resid 38 and name HD11 )
     6.0 0.1 0.1 peak 321 weight 1.1 volume 75.91230 ppm1 8.53000 ppm2 0.86200
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG2 )
     6.0 0.1 0.1 peak 322 weight 1.1 volume 85.14640 ppm1 8.55300 ppm2 0.82900
ASSI ( resid 46 and name HN )
     ( resid 45 and name HD11 )
     6.0 0.1 0.1 peak 323 weight 1.1 volume 162.42610 ppm1 8.60300 ppm2 0.84900
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG1 )
     6.0 0.1 0.1 peak 324 weight 1.1 volume 173.79939 ppm1 8.55300 ppm2 0.97400
ASSI ( attr store1 < 8.615 and attr store1 > 8.575 )
     ( attr store1 < 0.998 and attr store1 > 0.918 )
     6.0 0.1 0.1 peak 325 volume 52.34770 ppm1 8.59500 ppm2 0.95800
ASSI ( resid 46 and name HN )
     ( resid 45 and name HD21 )
     6.0 0.1 0.1 peak 326 weight 1.1 volume 79.20110 ppm1 8.60300 ppm2 0.88900
ASSI ( resid 29 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 327 weight 1.1 volume 393.70779 ppm1 8.34000 ppm2 1.08800
ASSI ( resid 28 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 328 weight 1.1 volume 777.59381 ppm1 8.23200 ppm2 1.09000
ASSI ( resid 37 and name HN )
     ( resid 37 and name HG11 )
     6.0 0.1 0.1 peak 329 weight 1.1 volume 124.88830 ppm1 8.47200 ppm2 1.06600
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HB )
     6.0 0.1 0.1 peak 330 weight 1.1 volume 35.74510 ppm1 8.43200 ppm2 1.10600
ASSI ( resid 37 and name HN )
     ( resid 37 and name HB )
     6.0 0.1 0.1 peak 331 weight 1.1 volume 341.11569 ppm1 8.47200 ppm2 1.14000
ASSI ( resid 40 and name HE1 )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 332 weight 1.1 volume 63.74180 ppm1 8.52900 ppm2 1.18400
ASSI ( resid 50 and name HN )
     ( resid 49 and name HB1 )
     6.0 0.1 0.1 peak 333 weight 1.1 volume 519.20642 ppm1 8.45500 ppm2 1.23800
  OR ( resid 50 and name HN )
     ( resid 54 and name HG21 )
  OR ( resid 55 and name HN )
     ( resid 49 and name HB1 )
  OR ( resid 55 and name HN )
     ( resid 54 and name HG21 )
ASSI ( resid 37 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 334 weight 1.1 volume 403.17120 ppm1 8.46800 ppm2 1.35500
ASSI ( resid 16 and name HN )
     ( resid 15 and name HB1 )
     6.0 0.1 0.1 peak 335 weight 1.1 volume 257.98441 ppm1 8.22800 ppm2 1.26900
ASSI ( resid 16 and name HN )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 336 weight 1.1 volume 178.68010 ppm1 8.23100 ppm2 1.33400
ASSI ( resid 2 and name HN )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 337 weight 1.1 volume 113.44690 ppm1 8.66100 ppm2 1.49300
ASSI ( attr store1 < 8.652 and attr store1 > 8.612 )
     ( attr store1 < 1.566 and attr store1 > 1.486 )
     6.0 0.1 0.1 peak 338 volume 218.74710 ppm1 8.63200 ppm2 1.52600
ASSI ( resid 18 and name HN )
     ( resid 18 and name HB1 )
     6.0 0.1 0.1 peak 339 weight 1.1 volume 304.59650 ppm1 8.55400 ppm2 1.51400
ASSI ( resid 46 and name HN )
     ( resid 45 and name HB2 )
     6.0 0.1 0.1 peak 340 weight 1.1 volume 427.34720 ppm1 8.60300 ppm2 1.57400
  OR ( resid 46 and name HN )
     ( resid 45 and name HB1 )
ASSI ( resid 37 and name HN )
     ( resid 51 and name HG2 )
     6.0 0.1 0.1 peak 341 weight 1.1 volume 79.73990 ppm1 8.47100 ppm2 1.57500
ASSI ( resid 18 and name HN )
     ( resid 18 and name HD2 )
     6.0 0.1 0.1 peak 342 weight 1.1 volume 67.66350 ppm1 8.55300 ppm2 1.42400
  OR ( resid 18 and name HN )
     ( resid 18 and name HD1 )
ASSI ( resid 46 and name HN )
     ( resid 45 and name HG )
     6.0 0.1 0.1 peak 343 weight 1.1 volume 161.88490 ppm1 8.60500 ppm2 1.47100
ASSI ( resid 50 and name HN )
     ( resid 11 and name HG21 )
     6.0 0.1 0.1 peak 344 weight 1.1 volume 88.04270 ppm1 8.46300 ppm2 1.51900
ASSI ( attr store1 < 8.453 and attr store1 > 8.413 )
     ( attr store1 < 1.557 and attr store1 > 1.477 )
     6.0 0.1 0.1 peak 345 volume 37.25200 ppm1 8.43300 ppm2 1.51700
ASSI ( resid 18 and name HN )
     ( resid 18 and name HB2 )
     6.0 0.1 0.1 peak 346 weight 1.1 volume 346.57660 ppm1 8.55300 ppm2 1.66600
ASSI ( resid 40 and name HE1 )
     ( resid 38 and name HB )
     6.0 0.1 0.1 peak 347 weight 1.1 volume 43.15460 ppm1 8.53000 ppm2 1.77500
ASSI ( resid 37 and name HN )
     ( resid 25 and name HB2 )
     6.0 0.1 0.1 peak 348 weight 1.1 volume 431.49380 ppm1 8.46100 ppm2 1.70900
  OR ( resid 37 and name HN )
     ( resid 25 and name HB1 )
ASSI ( resid 55 and name HN )
     ( resid 53 and name HB2 )
     6.0 0.1 0.1 peak 349 weight 1.1 volume 225.33771 ppm1 8.44200 ppm2 1.87600
ASSI ( resid 69 and name HN )
     ( resid 68 and name HB2 )
     6.0 0.1 0.1 peak 350 weight 1.1 volume 218.39870 ppm1 8.44800 ppm2 1.79200
ASSI ( resid 68 and name HN )
     ( resid 68 and name HB2 )
     6.0 0.1 0.1 peak 351 weight 1.1 volume 134.27840 ppm1 8.32400 ppm2 1.79700
ASSI ( resid 68 and name HN )
     ( resid 68 and name HB1 )
     6.0 0.1 0.1 peak 352 weight 1.1 volume 213.77710 ppm1 8.32400 ppm2 1.73400
ASSI ( resid 60 and name HN )
     ( resid 60 and name HB )
     6.0 0.1 0.1 peak 353 weight 1.1 volume 696.49048 ppm1 8.26700 ppm2 1.74000
  OR ( resid 60 and name HN )
     ( resid 63 and name HB2 )
  OR ( resid 63 and name HN )
     ( resid 60 and name HB )
  OR ( resid 63 and name HN )
     ( resid 63 and name HB2 )
ASSI ( resid 63 and name HN )
     ( resid 63 and name HB1 )
     6.0 0.1 0.1 peak 354 weight 1.1 volume 692.32550 ppm1 8.27000 ppm2 1.93600
ASSI ( resid 60 and name HN )
     ( resid 59 and name HB )
     6.0 0.1 0.1 peak 355 weight 1.1 volume 944.45227 ppm1 8.26900 ppm2 1.84800
  OR ( resid 60 and name HN )
     ( resid 63 and name HG )
  OR ( resid 63 and name HN )
     ( resid 59 and name HB )
  OR ( resid 63 and name HN )
     ( resid 63 and name HG )
ASSI ( resid 31 and name HN )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 356 weight 1.1 volume 124.32130 ppm1 8.19900 ppm2 1.91500
  OR ( resid 31 and name HN )
     ( resid 30 and name HB1 )
ASSI ( resid 31 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 357 weight 1.1 volume 85.14510 ppm1 8.20000 ppm2 1.50000
  OR ( resid 31 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 63 and name HN )
     ( resid 62 and name HB1 )
     6.0 0.1 0.1 peak 358 weight 1.1 volume 396.79831 ppm1 8.27100 ppm2 1.58300
  OR ( resid 63 and name HN )
     ( resid 62 and name HB2 )
  OR ( resid 60 and name HN )
     ( resid 62 and name HB1 )
  OR ( resid 60 and name HN )
     ( resid 62 and name HB2 )
ASSI ( resid 16 and name HN )
     ( resid 15 and name HG )
     6.0 0.1 0.1 peak 359 weight 1.1 volume 136.15900 ppm1 8.23000 ppm2 1.57700
ASSI ( resid 28 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 360 weight 1.1 volume 440.45609 ppm1 8.23200 ppm2 1.50000
  OR ( resid 28 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 63 and name HN )
     ( resid 62 and name HG )
     6.0 0.1 0.1 peak 361 weight 1.1 volume 141.09540 ppm1 8.27000 ppm2 1.46100
ASSI ( resid 68 and name HN )
     ( resid 68 and name HG1 )
     6.0 0.1 0.1 peak 362 weight 1.1 volume 58.25950 ppm1 8.32700 ppm2 1.40200
  OR ( resid 68 and name HN )
     ( resid 68 and name HG2 )
ASSI ( resid 29 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 363 weight 1.1 volume 160.71240 ppm1 8.33800 ppm2 1.50100
  OR ( resid 29 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 29 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 364 weight 1.1 volume 29.01760 ppm1 8.33800 ppm2 1.92100
  OR ( resid 29 and name HN )
     ( resid 30 and name HB2 )
ASSI ( resid 55 and name HN )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 365 weight 1.1 volume 56.10120 ppm1 8.44400 ppm2 2.20000
ASSI ( resid 68 and name HN )
     ( resid 67 and name HB )
     6.0 0.1 0.1 peak 366 weight 1.1 volume 99.71200 ppm1 8.32300 ppm2 2.06800
ASSI ( resid 60 and name HN )
     ( resid 59 and name HG12 )
     6.0 0.1 0.1 peak 367 weight 1.1 volume 49.93670 ppm1 8.26700 ppm2 2.21600
ASSI ( resid 31 and name HN )
     ( resid 30 and name HG1 )
     6.0 0.1 0.1 peak 368 weight 1.1 volume 111.93770 ppm1 8.19700 ppm2 2.24800
ASSI ( resid 31 and name HN )
     ( resid 30 and name HG2 )
     6.0 0.1 0.1 peak 369 weight 1.1 volume 88.46530 ppm1 8.19700 ppm2 2.29700
ASSI ( resid 29 and name HN )
     ( resid 30 and name HG1 )
     6.0 0.1 0.1 peak 370 weight 1.1 volume 42.78560 ppm1 8.34000 ppm2 2.24800
ASSI ( resid 29 and name HN )
     ( resid 30 and name HG2 )
     6.0 0.1 0.1 peak 371 weight 1.1 volume 34.63940 ppm1 8.33800 ppm2 2.30100
ASSI ( resid 55 and name HN )
     ( resid 53 and name HG1 )
     6.0 0.1 0.1 peak 372 weight 1.1 volume 32.48740 ppm1 8.44400 ppm2 2.44500
ASSI ( resid 33 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 373 weight 1.1 volume 229.59579 ppm1 8.36200 ppm2 2.57000
ASSI ( resid 5 and name HN )
     ( resid 5 and name HB1 )
     6.0 0.1 0.1 peak 374 weight 1.1 volume 394.80121 ppm1 8.32000 ppm2 2.57500
  OR ( resid 5 and name HN )
     ( resid 32 and name HB2 )
ASSI ( resid 31 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 375 weight 1.1 volume 38.01980 ppm1 8.19700 ppm2 2.56900
ASSI ( resid 28 and name HN )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 376 weight 1.1 volume 94.84030 ppm1 8.23100 ppm2 2.73200
  OR ( resid 28 and name HN )
     ( resid 35 and name HB2 )
ASSI ( resid 10 and name HN )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 377 weight 1.1 volume 385.91611 ppm1 8.28800 ppm2 2.80300
ASSI ( resid 5 and name HN )
     ( resid 5 and name HB2 )
     6.0 0.1 0.1 peak 378 weight 1.1 volume 401.88721 ppm1 8.32000 ppm2 2.70600
ASSI ( resid 33 and name HN )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 379 weight 1.1 volume 757.52039 ppm1 8.36400 ppm2 2.74100
  OR ( resid 33 and name HN )
     ( resid 33 and name HB1 )
ASSI ( resid 3 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 380 weight 1.1 volume 153.61320 ppm1 8.46100 ppm2 2.80500
  OR ( resid 3 and name HN )
     ( resid 10 and name HB2 )
  OR ( resid 50 and name HN )
     ( resid 3 and name HB2 )
  OR ( resid 50 and name HN )
     ( resid 10 and name HB2 )
ASSI ( resid 50 and name HN )
     ( resid 50 and name HB1 )
     6.0 0.1 0.1 peak 381 weight 1.1 volume 450.60211 ppm1 8.46100 ppm2 2.72700
  OR ( resid 50 and name HN )
     ( resid 3 and name HB1 )
  OR ( resid 3 and name HN )
     ( resid 50 and name HB1 )
  OR ( resid 3 and name HN )
     ( resid 3 and name HB1 )
ASSI ( resid 18 and name HN )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 382 weight 1.1 volume 52.15810 ppm1 8.55300 ppm2 2.94100
ASSI ( resid 29 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 383 weight 1.1 volume 269.78510 ppm1 8.33800 ppm2 2.90100
ASSI ( resid 5 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 384 weight 1.1 volume 153.18140 ppm1 8.32000 ppm2 2.96900
  OR ( resid 5 and name HN )
     ( resid 68 and name HE1 )
  OR ( resid 68 and name HN )
     ( resid 4 and name HB1 )
  OR ( resid 68 and name HN )
     ( resid 68 and name HE1 )
ASSI ( resid 29 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 385 weight 1.1 volume 162.01469 ppm1 8.33900 ppm2 3.02200
ASSI ( resid 5 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 386 weight 1.1 volume 151.30341 ppm1 8.32000 ppm2 3.07500
ASSI ( resid 60 and name HN )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 387 weight 1.1 volume 536.38062 ppm1 8.26700 ppm2 2.92300
  OR ( resid 63 and name HN )
     ( resid 60 and name HA )
ASSI ( resid 16 and name HN )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 388 weight 1.1 volume 415.05209 ppm1 8.23400 ppm2 2.93700
ASSI ( attr store1 < 8.25 and attr store1 > 8.21 )
     ( attr store1 < 3.08 and attr store1 > 3.0 )
     6.0 0.1 0.1 peak 389 volume 48.33140 ppm1 8.23000 ppm2 3.04000
ASSI ( resid 31 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 390 weight 1.1 volume 29.30570 ppm1 8.20000 ppm2 3.02600
ASSI ( resid 16 and name HN )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 391 weight 1.1 volume 265.14401 ppm1 8.23200 ppm2 3.25400
ASSI ( resid 10 and name HN )
     ( resid 9 and name HA1 )
     6.0 0.1 0.1 peak 392 weight 1.1 volume 675.33362 ppm1 8.28800 ppm2 3.25100
ASSI ( attr store1 < 8.289 and attr store1 > 8.249 )
     ( attr store1 < 3.188 and attr store1 > 3.108 )
     6.0 0.1 0.1 peak 393 volume 62.14540 ppm1 8.26900 ppm2 3.14800
ASSI ( resid 50 and name HN )
     ( resid 50 and name HB1 )
     6.0 0.1 0.1 peak 394 weight 1.1 volume 291.30991 ppm1 8.46400 ppm2 3.12500
ASSI ( resid 55 and name HN )
     ( resid 55 and name HB2 )
     6.0 0.1 0.1 peak 395 weight 1.1 volume 453.92349 ppm1 8.44100 ppm2 3.15700
  OR ( resid 55 and name HN )
     ( resid 58 and name HB1 )
ASSI ( resid 18 and name HN )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 396 weight 1.1 volume 69.58230 ppm1 8.55300 ppm2 3.25500
ASSI ( resid 50 and name HN )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 397 weight 1.1 volume 104.46950 ppm1 8.46300 ppm2 3.35800
ASSI ( resid 40 and name HE1 )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 398 weight 1.1 volume 8.80330 ppm1 8.53000 ppm2 3.32300
ASSI ( resid 33 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 399 weight 1.1 volume 316.20209 ppm1 8.36300 ppm2 3.39400
ASSI ( resid 10 and name HN )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 400 weight 1.1 volume 198.42970 ppm1 8.28800 ppm2 3.35800
ASSI ( resid 60 and name HN )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 401 weight 1.1 volume 134.79539 ppm1 8.26800 ppm2 3.44200
  OR ( resid 63 and name HN )
     ( resid 59 and name HA )
ASSI ( resid 31 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 402 weight 1.1 volume 19.90820 ppm1 8.19900 ppm2 3.39500
ASSI ( resid 31 and name HN )
     ( resid 31 and name HA1 )
     6.0 0.1 0.1 peak 403 weight 1.1 volume 625.63623 ppm1 8.19700 ppm2 3.52500
ASSI ( resid 60 and name HN )
     ( resid 57 and name HA )
     6.0 0.1 0.1 peak 404 weight 1.1 volume 104.65690 ppm1 8.26300 ppm2 3.58500
ASSI ( resid 10 and name HN )
     ( resid 9 and name HA2 )
     6.0 0.1 0.1 peak 405 weight 1.1 volume 742.89539 ppm1 8.28800 ppm2 3.62100
ASSI ( resid 55 and name HN )
     ( resid 55 and name HB1 )
     6.0 0.1 0.1 peak 406 weight 1.1 volume 345.65491 ppm1 8.44100 ppm2 3.56100
ASSI ( resid 55 and name HN )
     ( resid 54 and name HB )
     6.0 0.1 0.1 peak 407 weight 1.1 volume 192.07100 ppm1 8.44100 ppm2 3.62100
ASSI ( resid 50 and name HN )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 408 weight 1.1 volume 85.68130 ppm1 8.47100 ppm2 3.50200
  OR ( resid 50 and name HN )
     ( resid 48 and name HB1 )
ASSI ( resid 3 and name HN )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 409 weight 1.1 volume 93.73840 ppm1 8.46800 ppm2 3.75700
  OR ( resid 3 and name HN )
     ( resid 2 and name HB1 )
ASSI ( resid 18 and name HN )
     ( resid 17 and name HD2 )
     6.0 0.1 0.1 peak 410 weight 1.1 volume 149.13120 ppm1 8.55400 ppm2 3.84600
  OR ( resid 18 and name HN )
     ( resid 17 and name HD1 )
ASSI ( resid 18 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 411 weight 1.1 volume 16.03510 ppm1 8.55400 ppm2 3.57700
ASSI ( attr store1 < 8.49 and attr store1 > 8.45 )
     ( attr store1 < 3.876 and attr store1 > 3.796 )
     6.0 0.1 0.1 peak 412 volume 24.43120 ppm1 8.47000 ppm2 3.83600
ASSI ( resid 16 and name HE1 )
     ( resid 17 and name HD2 )
     6.0 0.1 0.1 peak 413 weight 1.1 volume 38.74290 ppm1 8.43100 ppm2 3.85000
ASSI ( resid 29 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 414 weight 1.1 volume 955.63599 ppm1 8.33900 ppm2 3.85400
  OR ( resid 33 and name HN )
     ( resid 28 and name HA )
ASSI ( resid 63 and name HN )
     ( resid 62 and name HA )
     6.0 0.1 0.1 peak 415 weight 1.1 volume 188.70270 ppm1 8.27000 ppm2 3.92000
ASSI ( resid 28 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 416 weight 1.1 volume 473.27499 ppm1 8.23100 ppm2 3.85300
  OR ( resid 28 and name HN )
     ( resid 17 and name HD2 )
  OR ( resid 28 and name HN )
     ( resid 17 and name HD1 )
  OR ( resid 16 and name HN )
     ( resid 28 and name HA )
  OR ( resid 16 and name HN )
     ( resid 17 and name HD2 )
  OR ( resid 16 and name HN )
     ( resid 17 and name HD1 )
ASSI ( resid 63 and name HN )
     ( resid 64 and name HB1 )
     6.0 0.1 0.1 peak 417 weight 1.1 volume 45.86160 ppm1 8.26900 ppm2 4.01700
  OR ( resid 63 and name HN )
     ( resid 64 and name HB2 )
ASSI ( resid 50 and name HN )
     ( resid 51 and name HD1 )
     6.0 0.1 0.1 peak 418 weight 1.1 volume 179.76610 ppm1 8.46800 ppm2 4.03600
ASSI ( resid 40 and name HE1 )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 419 weight 1.1 volume 44.22100 ppm1 8.52900 ppm2 4.01100
ASSI ( resid 18 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 420 weight 1.1 volume 69.74790 ppm1 8.55300 ppm2 3.97700
ASSI ( resid 18 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 421 weight 1.1 volume 373.73911 ppm1 8.55300 ppm2 4.07700
ASSI ( resid 68 and name HN )
     ( resid 67 and name HA )
     6.0 0.1 0.1 peak 422 weight 1.1 volume 773.56512 ppm1 8.32300 ppm2 4.09600
ASSI ( resid 60 and name HN )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 423 weight 1.1 volume 34.71820 ppm1 8.26900 ppm2 4.13900
ASSI ( resid 40 and name HE1 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 424 weight 1.1 volume 13.88580 ppm1 8.53000 ppm2 4.35500
ASSI ( resid 69 and name HN )
     ( resid 68 and name HA )
     6.0 0.1 0.1 peak 425 weight 1.1 volume 755.28278 ppm1 8.44800 ppm2 4.28400
  OR ( resid 69 and name HN )
     ( resid 54 and name HA )
  OR ( resid 55 and name HN )
     ( resid 68 and name HA )
  OR ( resid 55 and name HN )
     ( resid 54 and name HA )
ASSI ( resid 37 and name HN )
     ( resid 37 and name HA )
     6.0 0.1 0.1 peak 426 weight 1.1 volume 103.08920 ppm1 8.47200 ppm2 4.37800
ASSI ( resid 3 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 427 weight 1.1 volume 522.34271 ppm1 8.46500 ppm2 4.46500
ASSI ( resid 55 and name HN )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 428 weight 1.1 volume 400.69501 ppm1 8.44000 ppm2 4.46100
ASSI ( resid 68 and name HN )
     ( resid 68 and name HA )
     6.0 0.1 0.1 peak 429 weight 1.1 volume 278.88800 ppm1 8.32500 ppm2 4.28300
ASSI ( resid 63 and name HN )
     ( resid 63 and name HA )
     6.0 0.1 0.1 peak 430 weight 1.1 volume 652.09711 ppm1 8.26700 ppm2 4.26800
ASSI ( resid 31 and name HN )
     ( resid 31 and name HA2 )
     6.0 0.1 0.1 peak 431 weight 1.1 volume 844.65167 ppm1 8.19600 ppm2 4.25700
ASSI ( resid 16 and name HN )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 432 weight 1.1 volume 757.28387 ppm1 8.23100 ppm2 4.25800
ASSI ( resid 37 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 433 weight 1.1 volume 571.30591 ppm1 8.46082 ppm2 4.66395
  OR ( resid 37 and name HN )
     ( resid 50 and name HA )
  OR ( resid 37 and name HN )
     ( resid 3 and name HA )
  OR ( resid 37 and name HN )
     ( resid 69 and name HA )
  OR ( resid 50 and name HN )
     ( resid 36 and name HA )
  OR ( resid 50 and name HN )
     ( resid 50 and name HA )
  OR ( resid 50 and name HN )
     ( resid 3 and name HA )
  OR ( resid 50 and name HN )
     ( resid 69 and name HA )
  OR ( resid 3 and name HN )
     ( resid 36 and name HA )
  OR ( resid 3 and name HN )
     ( resid 50 and name HA )
  OR ( resid 3 and name HN )
     ( resid 3 and name HA )
  OR ( resid 3 and name HN )
     ( resid 69 and name HA )
  OR ( resid 69 and name HN )
     ( resid 36 and name HA )
  OR ( resid 69 and name HN )
     ( resid 50 and name HA )
  OR ( resid 69 and name HN )
     ( resid 3 and name HA )
  OR ( resid 69 and name HN )
     ( resid 69 and name HA )
ASSI ( attr store1 < 8.489 and attr store1 > 8.449 )
     ( attr store1 < 4.863 and attr store1 > 4.783 )
     6.0 0.1 0.1 peak 434 volume 72.00140 ppm1 8.46900 ppm2 4.82300
ASSI ( resid 33 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 435 weight 1.1 volume 466.06329 ppm1 8.36500 ppm2 4.63500
ASSI ( resid 5 and name HN )
     ( resid 5 and name HA )
     6.0 0.1 0.1 peak 436 weight 1.1 volume 544.72589 ppm1 8.32000 ppm2 4.60600
ASSI ( resid 29 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 437 weight 1.1 volume 734.57178 ppm1 8.33800 ppm2 4.55500
ASSI ( resid 5 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 438 weight 1.1 volume 989.94458 ppm1 8.31900 ppm2 4.50600
ASSI ( resid 63 and name HN )
     ( resid 64 and name HA )
     6.0 0.1 0.1 peak 439 weight 1.1 volume 72.08930 ppm1 8.27300 ppm2 4.55700
ASSI ( resid 31 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 440 weight 1.1 volume 451.65091 ppm1 8.19700 ppm2 4.49600
ASSI ( resid 31 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 441 weight 1.1 volume 158.82300 ppm1 8.19700 ppm2 4.55200
ASSI ( resid 4 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 442 weight 1.1 volume 367.08041 ppm1 8.14600 ppm2 4.50800
ASSI ( resid 58 and name HN )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 443 weight 1.1 volume 233.17590 ppm1 8.08100 ppm2 4.46400
ASSI ( resid 13 and name HN )
     ( resid 11 and name HA )
     6.0 0.1 0.1 peak 444 weight 1.1 volume 180.72610 ppm1 8.08800 ppm2 4.50200
ASSI ( resid 4 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 445 weight 1.1 volume 740.52722 ppm1 8.14700 ppm2 4.65900
ASSI ( resid 28 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 446 weight 1.1 volume 71.13060 ppm1 8.23200 ppm2 4.63400
ASSI ( resid 66 and name HN )
     ( resid 64 and name HA )
     6.0 0.1 0.1 peak 447 weight 1.1 volume 44.91960 ppm1 8.12300 ppm2 4.55800
ASSI ( resid 28 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 448 weight 1.1 volume 27.72400 ppm1 8.23100 ppm2 4.69300
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 449 weight 1.1 volume 28.41000 ppm1 8.43200 ppm2 4.88800
ASSI ( resid 50 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 450 weight 1.1 volume 64.22910 ppm1 8.46100 ppm2 4.92000
ASSI ( resid 50 and name HN )
     ( resid 49 and name HA )
     6.0 0.1 0.1 peak 451 weight 1.1 volume 434.47870 ppm1 8.46000 ppm2 5.05300
ASSI ( resid 33 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 452 weight 1.1 volume 871.81488 ppm1 8.36400 ppm2 4.98200
ASSI ( resid 10 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 453 weight 1.1 volume 276.52060 ppm1 8.28600 ppm2 4.92400
ASSI ( resid 28 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 454 weight 1.1 volume 911.10419 ppm1 8.23100 ppm2 4.94200
ASSI ( resid 16 and name HN )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 455 weight 1.1 volume 424.90439 ppm1 8.23100 ppm2 4.89600
ASSI ( resid 13 and name HN )
     ( resid 12 and name HA )
     6.0 0.1 0.1 peak 456 weight 1.1 volume 197.42630 ppm1 8.08600 ppm2 4.91100
ASSI ( resid 28 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 457 weight 1.1 volume 195.27440 ppm1 8.23100 ppm2 5.19800
ASSI ( resid 6 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 458 weight 1.1 volume 50.29070 ppm1 8.02300 ppm2 4.98200
ASSI ( resid 6 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 459 weight 1.1 volume 13.47880 ppm1 8.02600 ppm2 5.19800
ASSI ( resid 16 and name HN )
     ( resid 15 and name HN )
     6.0 0.1 0.1 peak 460 weight 1.1 volume 47.49710 ppm1 8.23100 ppm2 5.52300
ASSI ( resid 40 and name HE1 )
     ( resid 46 and name HA )
     6.0 0.1 0.1 peak 461 weight 1.1 volume 25.61770 ppm1 8.52900 ppm2 5.46700
ASSI ( resid 55 and name HN )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 462 weight 1.1 volume 238.73740 ppm1 8.44200 ppm2 5.77900
ASSI ( resid 58 and name HN )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 463 weight 1.1 volume 54.90090 ppm1 8.08000 ppm2 5.78000
ASSI ( resid 40 and name HE1 )
     ( resid 40 and name HD2 )
     6.0 0.1 0.1 peak 464 weight 1.1 volume 27.92680 ppm1 8.52900 ppm2 6.90300
ASSI ( resid 50 and name HN )
     ( resid 50 and name HD21 )
     6.0 0.1 0.1 peak 465 weight 1.1 volume 347.07031 ppm1 8.46300 ppm2 6.86700
  OR ( resid 50 and name HN )
     ( resid 10 and name HD1 )
  OR ( resid 50 and name HN )
     ( resid 10 and name HD2 )
  OR ( resid 50 and name HN )
     ( resid 69 and name HD21 )
  OR ( resid 50 and name HN )
     ( resid 3 and name HD22 )
  OR ( resid 37 and name HN )
     ( resid 50 and name HD21 )
  OR ( resid 37 and name HN )
     ( resid 10 and name HD1 )
  OR ( resid 37 and name HN )
     ( resid 10 and name HD2 )
  OR ( resid 37 and name HN )
     ( resid 69 and name HD21 )
  OR ( resid 37 and name HN )
     ( resid 3 and name HD22 )
  OR ( resid 69 and name HN )
     ( resid 50 and name HD21 )
  OR ( resid 69 and name HN )
     ( resid 10 and name HD1 )
  OR ( resid 69 and name HN )
     ( resid 10 and name HD2 )
  OR ( resid 69 and name HN )
     ( resid 69 and name HD21 )
  OR ( resid 69 and name HN )
     ( resid 3 and name HD22 )
  OR ( resid 3 and name HN )
     ( resid 50 and name HD21 )
  OR ( resid 3 and name HN )
     ( resid 10 and name HD1 )
  OR ( resid 3 and name HN )
     ( resid 10 and name HD2 )
  OR ( resid 3 and name HN )
     ( resid 69 and name HD21 )
  OR ( resid 3 and name HN )
     ( resid 3 and name HD22 )
ASSI ( resid 10 and name HN )
     ( resid 10 and name HD1 )
     6.0 0.1 0.1 peak 466 weight 1.1 volume 250.49451 ppm1 8.28900 ppm2 6.86600
  OR ( resid 10 and name HN )
     ( resid 10 and name HD2 )
ASSI ( attr store1 < 8.287 and attr store1 > 8.247 )
     ( attr store1 < 6.787 and attr store1 > 6.707 )
     6.0 0.1 0.1 peak 467 volume 77.16890 ppm1 8.26700 ppm2 6.74700
ASSI ( resid 58 and name HN )
     ( resid 58 and name HE2 )
     6.0 0.1 0.1 peak 468 weight 1.1 volume 22.56890 ppm1 8.08000 ppm2 6.74300
  OR ( resid 58 and name HN )
     ( resid 58 and name HE1 )
ASSI ( resid 50 and name HN )
     ( resid 53 and name HE22 )
     6.0 0.1 0.1 peak 469 weight 1.1 volume 32.21400 ppm1 8.46500 ppm2 7.03500
ASSI ( attr store1 < 8.476 and attr store1 > 8.436 )
     ( attr store1 < 7.198 and attr store1 > 7.118 )
     6.0 0.1 0.1 peak 470 volume 79.14600 ppm1 8.45600 ppm2 7.15800
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 471 weight 1.1 volume 20.23690 ppm1 8.43300 ppm2 7.21600
ASSI ( resid 5 and name HN )
     ( resid 4 and name HD2 )
     6.0 0.1 0.1 peak 472 weight 1.1 volume 56.59960 ppm1 8.32300 ppm2 7.18300
  OR ( resid 5 and name HN )
     ( resid 4 and name HD1 )
ASSI ( attr store1 < 8.288 and attr store1 > 8.248 )
     ( attr store1 < 7.149 and attr store1 > 7.069 )
     6.0 0.1 0.1 peak 473 volume 193.91290 ppm1 8.26800 ppm2 7.10900
ASSI ( resid 28 and name HN )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 474 weight 1.1 volume 38.32160 ppm1 8.23200 ppm2 7.14200
ASSI ( resid 4 and name HN )
     ( resid 4 and name HD1 )
     6.0 0.1 0.1 peak 475 weight 1.1 volume 113.73960 ppm1 8.14800 ppm2 7.18100
  OR ( resid 4 and name HN )
     ( resid 4 and name HD2 )
ASSI ( resid 16 and name HN )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 476 weight 1.1 volume 77.38720 ppm1 8.23200 ppm2 7.21900
ASSI ( resid 10 and name HN )
     ( resid 9 and name HN )
     6.0 0.1 0.1 peak 477 weight 1.1 volume 132.16431 ppm1 8.28900 ppm2 7.26400
ASSI ( resid 33 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 478 weight 1.1 volume 348.70679 ppm1 8.36400 ppm2 7.25900
ASSI ( attr store1 < 8.286 and attr store1 > 8.246 )
     ( attr store1 < 6.886 and attr store1 > 6.806 )
     6.0 0.1 0.1 peak 479 volume 78.60240 ppm1 8.26600 ppm2 6.84600
ASSI ( resid 55 and name HN )
     ( resid 55 and name HE3 )
     6.0 0.1 0.1 peak 480 weight 1.1 volume 52.58800 ppm1 8.44100 ppm2 7.35200
ASSI ( attr store1 < 8.252 and attr store1 > 8.212 )
     ( attr store1 < 7.335 and attr store1 > 7.255 )
     6.0 0.1 0.1 peak 481 volume 68.78320 ppm1 8.23200 ppm2 7.29500
ASSI ( resid 40 and name HN )
     ( resid 40 and name HD2 )
     6.0 0.1 0.1 peak 482 weight 1.1 volume 87.82490 ppm1 8.72200 ppm2 6.90200
ASSI ( resid 40 and name HN )
     ( resid 39 and name HD1 )
     6.0 0.1 0.1 peak 483 weight 1.1 volume 238.40109 ppm1 8.72300 ppm2 7.14200
  OR ( resid 40 and name HN )
     ( resid 39 and name HD2 )
ASSI ( attr store1 < 8.797 and attr store1 > 8.757 )
     ( attr store1 < 7.178 and attr store1 > 7.098 )
     6.0 0.1 0.1 peak 484 volume 20.09220 ppm1 8.77700 ppm2 7.13800
ASSI ( resid 46 and name HN )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 485 weight 1.1 volume 70.51350 ppm1 8.60300 ppm2 7.16000
ASSI ( attr store1 < 8.742 and attr store1 > 8.702 )
     ( attr store1 < 7.338 and attr store1 > 7.258 )
     6.0 0.1 0.1 peak 486 volume 26.00600 ppm1 8.72200 ppm2 7.29800
ASSI ( resid 18 and name HN )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 487 weight 1.1 volume 17.53480 ppm1 8.55300 ppm2 7.30100
ASSI ( resid 26 and name HN )
     ( resid 26 and name HE22 )
     6.0 0.1 0.1 peak 488 weight 1.1 volume 21.84700 ppm1 8.79300 ppm2 7.10400
ASSI ( resid 26 and name HN )
     ( resid 26 and name HE21 )
     6.0 0.1 0.1 peak 489 weight 1.1 volume 27.65900 ppm1 8.79100 ppm2 6.85100
ASSI ( resid 40 and name HN )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 490 weight 1.1 volume 228.66611 ppm1 8.72400 ppm2 7.76500
ASSI ( resid 42 and name HN )
     ( resid 43 and name HN )
     6.0 0.1 0.1 peak 491 weight 1.1 volume 194.26720 ppm1 8.72300 ppm2 7.70100
ASSI ( resid 21 and name HN )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 492 weight 1.1 volume 449.94009 ppm1 8.77500 ppm2 7.76500
ASSI ( resid 42 and name HN )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 493 weight 1.1 volume 27.98760 ppm1 8.72400 ppm2 7.97400
ASSI ( resid 18 and name HN )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 494 weight 1.1 volume 22.38510 ppm1 8.55300 ppm2 7.71800
ASSI ( resid 18 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 495 weight 1.1 volume 222.65990 ppm1 8.55300 ppm2 7.77200
ASSI ( attr store1 < 8.48 and attr store1 > 8.44 )
     ( attr store1 < 7.751 and attr store1 > 7.671 )
     6.0 0.1 0.1 peak 496 volume 33.36010 ppm1 8.46000 ppm2 7.71100
ASSI ( resid 55 and name HN )
     ( resid 55 and name HD1 )
     6.0 0.1 0.1 peak 497 weight 1.1 volume 428.13351 ppm1 8.44100 ppm2 7.57200
ASSI ( resid 60 and name HN )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 498 weight 1.1 volume 289.68689 ppm1 8.26700 ppm2 7.50900
ASSI ( resid 55 and name HN )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 499 weight 1.1 volume 123.11950 ppm1 8.44200 ppm2 7.51300
ASSI ( resid 63 and name HN )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 500 weight 1.1 volume 39.43860 ppm1 8.27000 ppm2 7.67800
ASSI ( resid 63 and name HN )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 501 weight 1.1 volume 319.21371 ppm1 8.27000 ppm2 7.75100
  OR ( resid 60 and name HN )
     ( resid 62 and name HN )
ASSI ( resid 31 and name HN )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 502 weight 1.1 volume 883.75092 ppm1 8.19700 ppm2 7.84200
  OR ( resid 31 and name HN )
     ( resid 30 and name HN )
ASSI ( resid 60 and name HN )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 503 weight 1.1 volume 613.01562 ppm1 8.26800 ppm2 7.87400
  OR ( resid 60 and name HN )
     ( resid 64 and name HN )
  OR ( resid 63 and name HN )
     ( resid 61 and name HN )
  OR ( resid 63 and name HN )
     ( resid 64 and name HN )
ASSI ( resid 29 and name HN )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 504 weight 1.1 volume 428.01529 ppm1 8.34700 ppm2 7.83700
  OR ( resid 29 and name HN )
     ( resid 32 and name HN )
  OR ( resid 33 and name HN )
     ( resid 30 and name HN )
  OR ( resid 33 and name HN )
     ( resid 32 and name HN )
ASSI ( resid 68 and name HN )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 505 weight 1.1 volume 333.15710 ppm1 8.32100 ppm2 8.02600
  OR ( resid 68 and name HN )
     ( resid 6 and name HN )
  OR ( resid 5 and name HN )
     ( resid 67 and name HN )
  OR ( resid 5 and name HN )
     ( resid 6 and name HN )
ASSI ( resid 33 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 506 weight 1.1 volume 50.70930 ppm1 8.36300 ppm2 8.02800
ASSI ( resid 69 and name HN )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 507 weight 1.1 volume 45.05070 ppm1 8.45100 ppm2 7.94600
ASSI ( resid 3 and name HN )
     ( resid 4 and name HN )
     6.0 0.1 0.1 peak 508 weight 1.1 volume 124.53660 ppm1 8.46700 ppm2 8.14800
ASSI ( resid 28 and name HN )
     ( resid 35 and name HD21 )
     6.0 0.1 0.1 peak 509 weight 1.1 volume 19.94480 ppm1 8.23100 ppm2 7.60900
ASSI ( resid 2 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 510 weight 1.1 volume 30.34800 ppm1 8.66200 ppm2 8.46500
ASSI ( resid 47 and name HN )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 511 weight 1.1 volume 342.73779 ppm1 9.00500 ppm2 9.16500
ASSI ( resid 11 and name HN )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 512 weight 1.1 volume 62.47850 ppm1 8.92100 ppm2 9.07800
ASSI ( resid 38 and name HN )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 513 weight 1.1 volume 325.43909 ppm1 8.87200 ppm2 9.14100
  OR ( resid 38 and name HN )
     ( resid 39 and name HN )
  OR ( resid 23 and name HN )
     ( resid 24 and name HN )
  OR ( resid 23 and name HN )
     ( resid 39 and name HN )
ASSI ( resid 26 and name HN )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 514 weight 1.1 volume 134.65199 ppm1 8.78800 ppm2 9.00000
ASSI ( resid 40 and name HN )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 515 weight 1.1 volume 150.35159 ppm1 8.72300 ppm2 8.95800
  OR ( resid 42 and name HN )
     ( resid 41 and name HN )
ASSI ( resid 40 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 516 weight 1.1 volume 126.85210 ppm1 8.72800 ppm2 8.87100
ASSI ( resid 12 and name HN )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 517 weight 1.1 volume 94.96820 ppm1 8.63400 ppm2 8.92000
ASSI ( resid 46 and name HN )
     ( resid 47 and name HN )
     6.0 0.1 0.1 peak 518 weight 1.1 volume 72.92240 ppm1 8.60400 ppm2 9.00700
ASSI ( resid 40 and name HN )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 519 weight 1.1 volume 94.75270 ppm1 8.72100 ppm2 9.15300
  OR ( resid 40 and name HN )
     ( resid 24 and name HN )
ASSI ( resid 55 and name HN )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 520 weight 1.1 volume 235.36501 ppm1 8.44000 ppm2 8.93000
  OR ( resid 55 and name HN )
     ( resid 11 and name HN )
  OR ( resid 50 and name HN )
     ( resid 54 and name HN )
  OR ( resid 50 and name HN )
     ( resid 11 and name HN )
ASSI ( resid 10 and name HN )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 521 weight 1.1 volume 71.80340 ppm1 8.29100 ppm2 8.91700
ASSI ( resid 28 and name HN )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 522 weight 1.1 volume 27.14920 ppm1 8.23200 ppm2 8.86200
ASSI ( resid 28 and name HN )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 523 weight 1.1 volume 72.73990 ppm1 8.23200 ppm2 8.79100
ASSI ( resid 3 and name HN )
     ( resid 2 and name HN )
     6.0 0.1 0.1 peak 524 weight 1.1 volume 71.81190 ppm1 8.46600 ppm2 8.65700
ASSI ( resid 35 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 525 weight 1.1 volume 74.77670 ppm1 8.86200 ppm2 9.49400
ASSI ( resid 26 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 526 weight 1.1 volume 174.56160 ppm1 8.79200 ppm2 9.49500
ASSI ( resid 37 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 527 weight 1.1 volume 38.18210 ppm1 8.47100 ppm2 9.49700
ASSI ( resid 50 and name HN )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 528 weight 1.1 volume 108.43330 ppm1 8.46800 ppm2 9.92900
  OR ( resid 37 and name HN )
     ( resid 49 and name HN )
ASSI ( resid 55 and name HN )
     ( resid 55 and name HE1 )
     6.0 0.1 0.1 peak 529 weight 1.1 volume 62.14540 ppm1 8.43900 ppm2 9.89800
ASSI ( resid 28 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 530 weight 1.1 volume 39.92560 ppm1 8.23200 ppm2 9.49600
ASSI ( resid 6 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 531 weight 1.1 volume 199.09340 ppm1 8.02200 ppm2 10.17000
ASSI ( resid 6 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 532 weight 1.1 volume 13.35000 ppm1 8.02300 ppm2 9.49300
ASSI ( attr store1 < 8.103 and attr store1 > 8.063 )
     ( attr store1 < 8.96 and attr store1 > 8.88 )
     6.0 0.1 0.1 peak 533 volume 21.18920 ppm1 8.08300 ppm2 8.92000
ASSI ( resid 44 and name HN )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 534 weight 1.1 volume 32.85320 ppm1 7.97300 ppm2 8.95700
ASSI ( attr store1 < 8.044 and attr store1 > 8.004 )
     ( attr store1 < 8.832 and attr store1 > 8.752 )
     6.0 0.1 0.1 peak 535 volume 32.96280 ppm1 8.02400 ppm2 8.79200
ASSI ( resid 44 and name HN )
     ( resid 42 and name HN )
     6.0 0.1 0.1 peak 536 weight 1.1 volume 25.79920 ppm1 7.97500 ppm2 8.72500
ASSI ( resid 13 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 537 weight 1.1 volume 469.58981 ppm1 8.08600 ppm2 8.63400
ASSI ( resid 4 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 538 weight 1.1 volume 184.76680 ppm1 8.14600 ppm2 8.46800
ASSI ( resid 70 and name HN )
     ( resid 69 and name HN )
     6.0 0.1 0.1 peak 539 weight 1.1 volume 69.69660 ppm1 7.94500 ppm2 8.45100
ASSI ( resid 58 and name HN )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 540 weight 1.1 volume 26.01540 ppm1 8.08000 ppm2 8.44000
ASSI ( resid 6 and name HN )
     ( resid 5 and name HN )
     6.0 0.1 0.1 peak 541 weight 1.1 volume 438.54349 ppm1 8.02300 ppm2 8.32200
  OR ( resid 6 and name HN )
     ( resid 68 and name HN )
  OR ( resid 67 and name HN )
     ( resid 5 and name HN )
  OR ( resid 67 and name HN )
     ( resid 68 and name HN )
ASSI ( resid 66 and name HN )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 542 weight 1.1 volume 25.52320 ppm1 8.12100 ppm2 7.88800
ASSI ( attr store1 < 8.097 and attr store1 > 8.057 )
     ( attr store1 < 7.917 and attr store1 > 7.837 )
     6.0 0.1 0.1 peak 543 volume 49.80890 ppm1 8.07700 ppm2 7.87700
ASSI ( resid 44 and name HN )
     ( resid 43 and name HN )
     6.0 0.1 0.1 peak 544 weight 1.1 volume 335.73849 ppm1 7.97300 ppm2 7.70100
ASSI ( resid 64 and name HN )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 545 weight 1.1 volume 429.24301 ppm1 7.89200 ppm2 7.67800
ASSI ( resid 61 and name HN )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 546 weight 1.1 volume 54.95430 ppm1 7.86300 ppm2 7.51100
ASSI ( resid 58 and name HN )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 547 weight 1.1 volume 492.07709 ppm1 8.08000 ppm2 7.51200
  OR ( resid 58 and name HN )
     ( resid 55 and name HZ2 )
  OR ( resid 58 and name HN )
     ( resid 57 and name HN )
  OR ( resid 13 and name HN )
     ( resid 59 and name HN )
  OR ( resid 13 and name HN )
     ( resid 55 and name HZ2 )
  OR ( resid 13 and name HN )
     ( resid 57 and name HN )
ASSI ( resid 66 and name HN )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 548 weight 1.1 volume 248.62621 ppm1 8.12300 ppm2 7.67800
ASSI ( resid 13 and name HN )
     ( resid 14 and name HN )
     6.0 0.1 0.1 peak 549 weight 1.1 volume 76.96780 ppm1 8.08700 ppm2 7.66200
ASSI ( resid 6 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 550 weight 1.1 volume 97.62640 ppm1 8.02300 ppm2 7.25800
ASSI ( attr store1 < 8.043 and attr store1 > 8.003 )
     ( attr store1 < 7.214 and attr store1 > 7.134 )
     6.0 0.1 0.1 peak 551 volume 81.61650 ppm1 8.02300 ppm2 7.17400
ASSI ( resid 44 and name HN )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 552 weight 1.1 volume 338.95639 ppm1 7.97300 ppm2 7.16200
ASSI ( resid 6 and name HN )
     ( resid 26 and name HE22 )
     6.0 0.1 0.1 peak 553 weight 1.1 volume 395.35971 ppm1 8.02300 ppm2 7.10000
ASSI ( resid 58 and name HN )
     ( resid 58 and name HD2 )
     6.0 0.1 0.1 peak 554 weight 1.1 volume 184.99840 ppm1 8.08000 ppm2 7.10100
  OR ( resid 58 and name HN )
     ( resid 58 and name HD1 )
ASSI ( attr store1 < 7.883 and attr store1 > 7.843 )
     ( attr store1 < 7.143 and attr store1 > 7.063 )
     6.0 0.1 0.1 peak 555 volume 44.76600 ppm1 7.86300 ppm2 7.10300
ASSI ( attr store1 < 7.91 and attr store1 > 7.87 )
     ( attr store1 < 7.143 and attr store1 > 7.063 )
     6.0 0.1 0.1 peak 556 volume 65.38440 ppm1 7.89000 ppm2 7.10300
ASSI ( resid 19 and name HN )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 557 weight 1.1 volume 133.55710 ppm1 7.77200 ppm2 7.29700
  OR ( resid 19 and name HN )
     ( resid 19 and name HD1 )
ASSI ( attr store1 < 7.871 and attr store1 > 7.831 )
     ( attr store1 < 7.297 and attr store1 > 7.217 )
     6.0 0.1 0.1 peak 558 volume 13.40070 ppm1 7.85100 ppm2 7.25700
ASSI ( attr store1 < 7.739 and attr store1 > 7.699 )
     ( attr store1 < 7.338 and attr store1 > 7.258 )
     6.0 0.1 0.1 peak 559 volume 19.67780 ppm1 7.71900 ppm2 7.29800
ASSI ( attr store1 < 7.784 and attr store1 > 7.744 )
     ( attr store1 < 7.184 and attr store1 > 7.104 )
     6.0 0.1 0.1 peak 560 volume 55.33620 ppm1 7.76400 ppm2 7.14400
ASSI ( attr store1 < 7.772 and attr store1 > 7.732 )
     ( attr store1 < 7.144 and attr store1 > 7.064 )
     6.0 0.1 0.1 peak 561 volume 31.85750 ppm1 7.75200 ppm2 7.10400
ASSI ( resid 53 and name HE21 )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 562 weight 1.1 volume 191.37289 ppm1 7.70900 ppm2 7.15600
  OR ( resid 53 and name HE21 )
     ( resid 45 and name HN )
  OR ( resid 43 and name HN )
     ( resid 53 and name HN )
  OR ( resid 43 and name HN )
     ( resid 45 and name HN )
ASSI ( resid 53 and name HE21 )
     ( resid 53 and name HE22 )
     6.0 0.1 0.1 peak 563 weight 1.1 volume 1146.60083 ppm1 7.70900 ppm2 7.03800
ASSI ( resid 50 and name HD22 )
     ( resid 50 and name HD21 )
     6.0 0.1 0.1 peak 564 weight 1.1 volume 245.41800 ppm1 7.70900 ppm2 6.86900
  OR ( resid 50 and name HD22 )
     ( resid 3 and name HD22 )
  OR ( resid 3 and name HD21 )
     ( resid 50 and name HD21 )
  OR ( resid 3 and name HD21 )
     ( resid 3 and name HD22 )
ASSI ( attr store1 < 7.781 and attr store1 > 7.741 )
     ( attr store1 < 6.894 and attr store1 > 6.814 )
     6.0 0.1 0.1 peak 565 volume 22.94340 ppm1 7.76100 ppm2 6.85400
ASSI ( resid 22 and name HN )
     ( resid 40 and name HD2 )
     6.0 0.1 0.1 peak 566 weight 1.1 volume 15.50920 ppm1 7.76400 ppm2 6.90300
ASSI ( attr store1 < 7.776 and attr store1 > 7.736 )
     ( attr store1 < 6.784 and attr store1 > 6.704 )
     6.0 0.1 0.1 peak 567 volume 18.05470 ppm1 7.75600 ppm2 6.74400
ASSI ( resid 64 and name HN )
     ( resid 23 and name HD1 )
     6.0 0.1 0.1 peak 568 weight 1.1 volume 15.44280 ppm1 7.89200 ppm2 6.85000
ASSI ( resid 22 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 569 weight 1.1 volume 14.02020 ppm1 7.76600 ppm2 5.91400
ASSI ( resid 22 and name HN )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 570 weight 1.1 volume 17.38970 ppm1 7.76600 ppm2 5.55300
ASSI ( resid 22 and name HN )
     ( resid 41 and name HA )
     6.0 0.1 0.1 peak 571 weight 1.1 volume 92.88900 ppm1 7.76500 ppm2 5.41100
ASSI ( resid 20 and name HN )
     ( resid 41 and name HA )
     6.0 0.1 0.1 peak 572 weight 1.1 volume 127.31610 ppm1 7.70900 ppm2 5.41100
  OR ( resid 43 and name HN )
     ( resid 41 and name HA )
ASSI ( resid 22 and name HN )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 573 weight 1.1 volume 37.58030 ppm1 7.76400 ppm2 5.09700
ASSI ( resid 32 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 574 weight 1.1 volume 348.25229 ppm1 7.84700 ppm2 4.98200
ASSI ( resid 70 and name HN )
     ( resid 69 and name HA )
     6.0 0.1 0.1 peak 575 weight 1.1 volume 254.34720 ppm1 7.94600 ppm2 4.66000
ASSI ( resid 6 and name HN )
     ( resid 5 and name HA )
     6.0 0.1 0.1 peak 576 weight 1.1 volume 1028.56396 ppm1 8.02100 ppm2 4.60600
ASSI ( resid 6 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 577 weight 1.1 volume 60.69480 ppm1 8.02000 ppm2 4.50400
ASSI ( resid 64 and name HN )
     ( resid 64 and name HA )
     6.0 0.1 0.1 peak 578 weight 1.1 volume 363.10349 ppm1 7.89100 ppm2 4.55900
ASSI ( resid 30 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 579 weight 1.1 volume 441.86060 ppm1 7.83400 ppm2 4.55500
ASSI ( resid 32 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 580 weight 1.1 volume 107.04150 ppm1 7.83800 ppm2 4.63300
ASSI ( resid 30 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 581 weight 1.1 volume 442.51459 ppm1 7.83300 ppm2 4.49000
ASSI ( resid 19 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 582 weight 1.1 volume 268.79541 ppm1 7.76900 ppm2 4.71700
ASSI ( resid 20 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 583 weight 1.1 volume 169.42619 ppm1 7.71700 ppm2 4.71700
ASSI ( resid 43 and name HN )
     ( resid 41 and name HB )
     6.0 0.1 0.1 peak 584 weight 1.1 volume 167.01140 ppm1 7.70000 ppm2 4.64300
ASSI ( resid 65 and name HN )
     ( resid 64 and name HA )
     6.0 0.1 0.1 peak 585 weight 1.1 volume 314.81720 ppm1 7.67700 ppm2 4.55800
ASSI ( resid 22 and name HN )
     ( resid 21 and name HA )
     6.0 0.1 0.1 peak 586 weight 1.1 volume 265.95770 ppm1 7.76400 ppm2 4.45700
ASSI ( resid 35 and name HD21 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 587 weight 1.1 volume 18.57600 ppm1 7.60500 ppm2 4.69600
ASSI ( resid 6 and name HN )
     ( resid 6 and name HA )
     6.0 0.1 0.1 peak 588 weight 1.1 volume 363.64471 ppm1 8.02200 ppm2 4.41400
ASSI ( resid 44 and name HN )
     ( resid 43 and name HA )
     6.0 0.1 0.1 peak 589 weight 1.1 volume 208.29601 ppm1 7.97300 ppm2 4.36700
ASSI ( resid 67 and name HN )
     ( resid 66 and name HA )
     6.0 0.1 0.1 peak 590 weight 1.1 volume 660.53857 ppm1 8.03100 ppm2 4.31500
ASSI ( resid 70 and name HN )
     ( resid 70 and name HA )
     6.0 0.1 0.1 peak 591 weight 1.1 volume 119.33090 ppm1 7.94500 ppm2 4.26700
  OR ( resid 70 and name HN )
     ( resid 68 and name HA )
ASSI ( resid 64 and name HN )
     ( resid 63 and name HA )
     6.0 0.1 0.1 peak 592 weight 1.1 volume 235.43170 ppm1 7.89100 ppm2 4.26500
ASSI ( resid 32 and name HN )
     ( resid 31 and name HA2 )
     6.0 0.1 0.1 peak 593 weight 1.1 volume 321.03699 ppm1 7.84300 ppm2 4.25700
ASSI ( resid 22 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 594 weight 1.1 volume 323.71170 ppm1 7.76400 ppm2 4.24900
  OR ( resid 22 and name HN )
     ( resid 15 and name HA )
  OR ( resid 19 and name HN )
     ( resid 20 and name HA )
  OR ( resid 19 and name HN )
     ( resid 15 and name HA )
ASSI ( resid 22 and name HN )
     ( resid 22 and name HA1 )
     6.0 0.1 0.1 peak 595 weight 1.1 volume 189.03650 ppm1 7.76300 ppm2 4.33700
ASSI ( resid 22 and name HN )
     ( resid 22 and name HA2 )
     6.0 0.1 0.1 peak 596 weight 1.1 volume 185.48790 ppm1 7.76400 ppm2 4.38900
ASSI ( resid 43 and name HN )
     ( resid 43 and name HA )
     6.0 0.1 0.1 peak 597 weight 1.1 volume 311.73569 ppm1 7.69700 ppm2 4.36800
ASSI ( resid 65 and name HN )
     ( resid 65 and name HA )
     6.0 0.1 0.1 peak 598 weight 1.1 volume 543.82501 ppm1 7.67600 ppm2 4.25400
  OR ( resid 65 and name HN )
     ( resid 63 and name HA )
ASSI ( resid 20 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 599 weight 1.1 volume 237.00320 ppm1 7.71900 ppm2 4.24800
  OR ( resid 20 and name HN )
     ( resid 15 and name HA )
ASSI ( resid 66 and name HN )
     ( resid 66 and name HA )
     6.0 0.1 0.1 peak 600 weight 1.1 volume 396.99100 ppm1 8.12500 ppm2 4.32300
ASSI ( resid 66 and name HN )
     ( resid 65 and name HA )
     6.0 0.1 0.1 peak 601 weight 1.1 volume 853.39032 ppm1 8.12500 ppm2 4.25300
  OR ( resid 66 and name HN )
     ( resid 63 and name HA )
ASSI ( resid 67 and name HN )
     ( resid 68 and name HA )
     6.0 0.1 0.1 peak 602 weight 1.1 volume 69.05150 ppm1 8.03100 ppm2 4.25300
  OR ( resid 67 and name HN )
     ( resid 63 and name HA )
  OR ( resid 67 and name HN )
     ( resid 65 and name HA )
ASSI ( resid 14 and name HN )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 603 weight 1.1 volume 1040.52600 ppm1 7.65500 ppm2 4.16500
ASSI ( resid 62 and name HN )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 604 weight 1.1 volume 68.30030 ppm1 7.75100 ppm2 4.14800
ASSI ( resid 61 and name HN )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 605 weight 1.1 volume 119.85290 ppm1 7.86400 ppm2 4.14200
ASSI ( resid 44 and name HN )
     ( resid 42 and name HA )
     6.0 0.1 0.1 peak 606 weight 1.1 volume 145.49809 ppm1 7.97300 ppm2 4.08200
ASSI ( resid 67 and name HN )
     ( resid 67 and name HA )
     6.0 0.1 0.1 peak 607 weight 1.1 volume 270.43649 ppm1 8.02800 ppm2 4.09600
ASSI ( resid 58 and name HN )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 608 weight 1.1 volume 634.14941 ppm1 8.08400 ppm2 4.14900
  OR ( resid 58 and name HN )
     ( resid 13 and name HA )
  OR ( resid 13 and name HN )
     ( resid 58 and name HA )
  OR ( resid 13 and name HN )
     ( resid 13 and name HA )
ASSI ( resid 44 and name HN )
     ( resid 44 and name HA )
     6.0 0.1 0.1 peak 609 weight 1.1 volume 1060.25903 ppm1 7.97300 ppm2 3.95900
ASSI ( resid 66 and name HN )
     ( resid 64 and name HB1 )
     6.0 0.1 0.1 peak 610 weight 1.1 volume 18.27650 ppm1 8.12500 ppm2 4.02400
ASSI ( resid 66 and name HN )
     ( resid 62 and name HA )
     6.0 0.1 0.1 peak 611 weight 1.1 volume 24.59420 ppm1 8.12400 ppm2 3.92200
ASSI ( resid 32 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 612 weight 1.1 volume 184.73129 ppm1 7.82800 ppm2 3.85400
  OR ( resid 30 and name HN )
     ( resid 28 and name HA )
ASSI ( resid 64 and name HN )
     ( resid 61 and name HA )
     6.0 0.1 0.1 peak 613 weight 1.1 volume 224.06860 ppm1 7.89300 ppm2 3.87200
ASSI ( resid 64 and name HN )
     ( resid 62 and name HA )
     6.0 0.1 0.1 peak 614 weight 1.1 volume 145.76550 ppm1 7.89100 ppm2 3.92400
ASSI ( resid 61 and name HN )
     ( resid 61 and name HA )
     6.0 0.1 0.1 peak 615 weight 1.1 volume 390.64380 ppm1 7.86400 ppm2 3.87200
ASSI ( resid 4 and name HN )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 616 weight 1.1 volume 20.28340 ppm1 8.14700 ppm2 3.75700
  OR ( resid 4 and name HN )
     ( resid 2 and name HB1 )
ASSI ( resid 64 and name HN )
     ( resid 64 and name HB1 )
     6.0 0.1 0.1 peak 617 weight 1.1 volume 659.70331 ppm1 7.89100 ppm2 4.02000
  OR ( resid 64 and name HN )
     ( resid 64 and name HB2 )
ASSI ( resid 19 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 618 weight 1.1 volume 245.72600 ppm1 7.76900 ppm2 4.07700
ASSI ( resid 43 and name HN )
     ( resid 42 and name HA )
     6.0 0.1 0.1 peak 619 weight 1.1 volume 306.17731 ppm1 7.70400 ppm2 4.07900
  OR ( resid 43 and name HN )
     ( resid 18 and name HA )
  OR ( resid 20 and name HN )
     ( resid 42 and name HA )
  OR ( resid 20 and name HN )
     ( resid 18 and name HA )
ASSI ( resid 65 and name HN )
     ( resid 64 and name HB2 )
     6.0 0.1 0.1 peak 620 weight 1.1 volume 189.66010 ppm1 7.67600 ppm2 4.01800
  OR ( resid 65 and name HN )
     ( resid 64 and name HB1 )
ASSI ( resid 43 and name HN )
     ( resid 44 and name HA )
     6.0 0.1 0.1 peak 621 weight 1.1 volume 139.58070 ppm1 7.69700 ppm2 3.95900
ASSI ( resid 65 and name HN )
     ( resid 62 and name HA )
     6.0 0.1 0.1 peak 622 weight 1.1 volume 76.76140 ppm1 7.67700 ppm2 3.92100
ASSI ( resid 19 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 623 weight 1.1 volume 162.39090 ppm1 7.77000 ppm2 3.97600
ASSI ( resid 62 and name HN )
     ( resid 61 and name HA )
     6.0 0.1 0.1 peak 624 weight 1.1 volume 150.46660 ppm1 7.75100 ppm2 3.86800
ASSI ( resid 62 and name HN )
     ( resid 62 and name HA )
     6.0 0.1 0.1 peak 625 weight 1.1 volume 483.40021 ppm1 7.75000 ppm2 3.92100
ASSI ( resid 58 and name HN )
     ( resid 57 and name HA )
     6.0 0.1 0.1 peak 626 weight 1.1 volume 197.70061 ppm1 8.08100 ppm2 3.59700
ASSI ( resid 58 and name HN )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 627 weight 1.1 volume 25.75280 ppm1 8.08100 ppm2 3.44000
ASSI ( resid 6 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 628 weight 1.1 volume 137.16110 ppm1 8.02300 ppm2 3.39500
ASSI ( resid 61 and name HN )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 629 weight 1.1 volume 74.52280 ppm1 7.86200 ppm2 3.44000
ASSI ( resid 32 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 630 weight 1.1 volume 213.35750 ppm1 7.84400 ppm2 3.39400
ASSI ( resid 32 and name HN )
     ( resid 31 and name HA1 )
     6.0 0.1 0.1 peak 631 weight 1.1 volume 255.96910 ppm1 7.84200 ppm2 3.52400
ASSI ( resid 61 and name HN )
     ( resid 57 and name HA )
     6.0 0.1 0.1 peak 632 weight 1.1 volume 98.71530 ppm1 7.86200 ppm2 3.58800
ASSI ( resid 19 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 633 weight 1.1 volume 362.01331 ppm1 7.76900 ppm2 3.58300
ASSI ( resid 20 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 634 weight 1.1 volume 97.94930 ppm1 7.72000 ppm2 3.58300
ASSI ( resid 62 and name HN )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 635 weight 1.1 volume 159.52921 ppm1 7.75100 ppm2 3.44300
ASSI ( resid 22 and name HN )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 636 weight 1.1 volume 105.76620 ppm1 7.76300 ppm2 3.32400
ASSI ( resid 19 and name HN )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 637 weight 1.1 volume 24.78680 ppm1 7.77100 ppm2 3.25400
ASSI ( resid 61 and name HN )
     ( resid 61 and name HD1 )
     6.0 0.1 0.1 peak 638 weight 1.1 volume 77.97790 ppm1 7.86400 ppm2 3.13600
  OR ( resid 61 and name HN )
     ( resid 61 and name HD2 )
ASSI ( resid 50 and name HD22 )
     ( resid 50 and name HB1 )
     6.0 0.1 0.1 peak 639 weight 1.1 volume 37.12210 ppm1 7.71000 ppm2 3.12400
  OR ( resid 53 and name HE21 )
     ( resid 50 and name HB1 )
ASSI ( resid 62 and name HN )
     ( resid 61 and name HD2 )
     6.0 0.1 0.1 peak 640 weight 1.1 volume 33.75820 ppm1 7.75000 ppm2 3.13700
  OR ( resid 62 and name HN )
     ( resid 61 and name HD1 )
ASSI ( resid 6 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 641 weight 1.1 volume 17.44170 ppm1 8.02100 ppm2 3.08300
ASSI ( resid 13 and name HN )
     ( resid 13 and name HD2 )
     6.0 0.1 0.1 peak 642 weight 1.1 volume 91.18830 ppm1 8.08300 ppm2 3.05900
  OR ( resid 13 and name HN )
     ( resid 13 and name HD1 )
ASSI ( resid 58 and name HN )
     ( resid 58 and name HB1 )
     6.0 0.1 0.1 peak 643 weight 1.1 volume 1055.81372 ppm1 8.08000 ppm2 3.16600
  OR ( resid 58 and name HN )
     ( resid 58 and name HB2 )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 644 weight 1.1 volume 280.21439 ppm1 8.14700 ppm2 3.07600
ASSI ( resid 4 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 645 weight 1.1 volume 365.03409 ppm1 8.14700 ppm2 2.96600
ASSI ( resid 20 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 646 weight 1.1 volume 127.00650 ppm1 7.72300 ppm2 3.04100
ASSI ( resid 19 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 647 weight 1.1 volume 517.94202 ppm1 7.77100 ppm2 3.04100
ASSI ( resid 30 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 648 weight 1.1 volume 236.46899 ppm1 7.83100 ppm2 3.02500
ASSI ( resid 64 and name HN )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 649 weight 1.1 volume 66.92390 ppm1 7.89100 ppm2 2.92300
ASSI ( resid 30 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 650 weight 1.1 volume 161.32680 ppm1 7.83600 ppm2 2.90100
ASSI ( resid 62 and name HN )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 651 weight 1.1 volume 124.81810 ppm1 7.76500 ppm2 2.93900
  OR ( resid 62 and name HN )
     ( resid 16 and name HB1 )
  OR ( resid 62 and name HN )
     ( resid 23 and name HB1 )
  OR ( resid 19 and name HN )
     ( resid 60 and name HA )
  OR ( resid 19 and name HN )
     ( resid 16 and name HB1 )
  OR ( resid 19 and name HN )
     ( resid 23 and name HB1 )
  OR ( resid 22 and name HN )
     ( resid 60 and name HA )
  OR ( resid 22 and name HN )
     ( resid 16 and name HB1 )
  OR ( resid 22 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 22 and name HN )
     ( resid 40 and name HB1 )
     6.0 0.1 0.1 peak 652 weight 1.1 volume 112.06980 ppm1 7.76400 ppm2 2.87200
ASSI ( resid 6 and name HN )
     ( resid 6 and name HB1 )
     6.0 0.1 0.1 peak 653 weight 1.1 volume 481.24191 ppm1 8.02100 ppm2 2.86400
ASSI ( resid 58 and name HN )
     ( resid 56 and name HA )
     6.0 0.1 0.1 peak 654 weight 1.1 volume 123.31830 ppm1 8.08400 ppm2 2.89400
  OR ( resid 58 and name HN )
     ( resid 12 and name HB2 )
  OR ( resid 13 and name HN )
     ( resid 56 and name HA )
  OR ( resid 13 and name HN )
     ( resid 12 and name HB2 )
ASSI ( resid 13 and name HN )
     ( resid 12 and name HB1 )
     6.0 0.1 0.1 peak 655 weight 1.1 volume 87.02350 ppm1 8.08300 ppm2 2.83200
ASSI ( resid 6 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 656 weight 1.1 volume 20.82020 ppm1 8.02200 ppm2 2.96800
ASSI ( resid 61 and name HN )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 657 weight 1.1 volume 114.32330 ppm1 7.86200 ppm2 2.92000
ASSI ( resid 62 and name HN )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 658 weight 1.1 volume 42.96320 ppm1 7.73500 ppm2 2.92300
ASSI ( resid 4 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 659 weight 1.1 volume 154.03641 ppm1 8.14700 ppm2 2.71900
  OR ( resid 4 and name HN )
     ( resid 5 and name HB2 )
ASSI ( resid 6 and name HN )
     ( resid 6 and name HB2 )
     6.0 0.1 0.1 peak 660 weight 1.1 volume 785.84888 ppm1 8.02200 ppm2 2.70100
  OR ( resid 6 and name HN )
     ( resid 5 and name HB2 )
ASSI ( resid 6 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 661 weight 1.1 volume 239.28349 ppm1 8.02200 ppm2 2.57400
  OR ( resid 6 and name HN )
     ( resid 5 and name HB1 )
ASSI ( resid 32 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 662 weight 1.1 volume 350.70831 ppm1 7.84400 ppm2 2.56800
  OR ( resid 32 and name HN )
     ( resid 5 and name HB1 )
ASSI ( resid 32 and name HN )
     ( resid 5 and name HB2 )
     6.0 0.1 0.1 peak 663 weight 1.1 volume 31.54970 ppm1 7.84300 ppm2 2.71100
ASSI ( resid 3 and name HD21 )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 664 weight 1.1 volume 234.04401 ppm1 7.71000 ppm2 2.73700
  OR ( resid 3 and name HD21 )
     ( resid 50 and name HB2 )
  OR ( resid 53 and name HE21 )
     ( resid 3 and name HB1 )
  OR ( resid 53 and name HE21 )
     ( resid 50 and name HB2 )
  OR ( resid 50 and name HD22 )
     ( resid 3 and name HB1 )
  OR ( resid 50 and name HD22 )
     ( resid 50 and name HB2 )
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 665 weight 1.1 volume 661.03387 ppm1 7.60600 ppm2 2.73300
  OR ( resid 35 and name HD21 )
     ( resid 35 and name HB1 )
ASSI ( resid 58 and name HN )
     ( resid 59 and name HG12 )
     6.0 0.1 0.1 peak 666 weight 1.1 volume 51.84940 ppm1 8.07800 ppm2 2.21700
ASSI ( resid 6 and name HN )
     ( resid 26 and name HG1 )
     6.0 0.1 0.1 peak 667 weight 1.1 volume 257.03040 ppm1 8.02400 ppm2 2.26300
ASSI ( resid 30 and name HN )
     ( resid 30 and name HG2 )
     6.0 0.1 0.1 peak 668 weight 1.1 volume 389.80231 ppm1 7.83100 ppm2 2.30000
ASSI ( resid 30 and name HN )
     ( resid 30 and name HG1 )
     6.0 0.1 0.1 peak 669 weight 1.1 volume 316.87949 ppm1 7.83100 ppm2 2.24500
ASSI ( resid 22 and name HN )
     ( resid 21 and name HB )
     6.0 0.1 0.1 peak 670 weight 1.1 volume 164.59760 ppm1 7.76400 ppm2 2.20100
ASSI ( resid 53 and name HE21 )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 671 weight 1.1 volume 83.25970 ppm1 7.71000 ppm2 2.19900
ASSI ( resid 14 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 672 weight 1.1 volume 200.13480 ppm1 7.65600 ppm2 2.39000
ASSI ( resid 53 and name HE21 )
     ( resid 53 and name HG1 )
     6.0 0.1 0.1 peak 673 weight 1.1 volume 25.16980 ppm1 7.70800 ppm2 2.44800
ASSI ( resid 67 and name HN )
     ( resid 67 and name HB )
     6.0 0.1 0.1 peak 674 weight 1.1 volume 329.96091 ppm1 8.02800 ppm2 2.06300
ASSI ( resid 44 and name HN )
     ( resid 44 and name HB2 )
     6.0 0.1 0.1 peak 675 weight 1.1 volume 173.43820 ppm1 7.97200 ppm2 2.10000
ASSI ( resid 44 and name HN )
     ( resid 44 and name HB1 )
     6.0 0.1 0.1 peak 676 weight 1.1 volume 326.92581 ppm1 7.97400 ppm2 1.97200
ASSI ( resid 70 and name HN )
     ( resid 70 and name HB2 )
     6.0 0.1 0.1 peak 677 weight 1.1 volume 121.42600 ppm1 7.94600 ppm2 1.92000
  OR ( resid 70 and name HN )
     ( resid 17 and name HG2 )
  OR ( resid 70 and name HN )
     ( resid 17 and name HG1 )
ASSI ( resid 43 and name HN )
     ( resid 43 and name HB1 )
     6.0 0.1 0.1 peak 678 weight 1.1 volume 417.38980 ppm1 7.70100 ppm2 2.01000
ASSI ( resid 20 and name HN )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 679 weight 1.1 volume 709.60278 ppm1 7.71600 ppm2 1.89700
ASSI ( resid 65 and name HN )
     ( resid 65 and name HB1 )
     6.0 0.1 0.1 peak 680 weight 1.1 volume 893.04572 ppm1 7.67700 ppm2 1.84400
ASSI ( resid 62 and name HN )
     ( resid 61 and name HB1 )
     6.0 0.1 0.1 peak 681 weight 1.1 volume 196.01820 ppm1 7.75000 ppm2 1.80200
ASSI ( attr store1 < 7.785 and attr store1 > 7.745 )
     ( attr store1 < 1.938 and attr store1 > 1.858 )
     6.0 0.1 0.1 peak 682 volume 406.23749 ppm1 7.76500 ppm2 1.89800
ASSI ( resid 30 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 683 weight 1.1 volume 446.39810 ppm1 7.83100 ppm2 1.92000
  OR ( resid 30 and name HN )
     ( resid 30 and name HB2 )
ASSI ( resid 64 and name HN )
     ( resid 63 and name HB1 )
     6.0 0.1 0.1 peak 684 weight 1.1 volume 222.78439 ppm1 7.89200 ppm2 1.93000
ASSI ( resid 61 and name HN )
     ( resid 60 and name HB )
     6.0 0.1 0.1 peak 685 weight 1.1 volume 401.03421 ppm1 7.86300 ppm2 1.73900
ASSI ( attr store1 < 7.912 and attr store1 > 7.872 )
     ( attr store1 < 1.885 and attr store1 > 1.805 )
     6.0 0.1 0.1 peak 686 volume 362.68839 ppm1 7.89200 ppm2 1.84500
ASSI ( resid 61 and name HN )
     ( resid 61 and name HG1 )
     6.0 0.1 0.1 peak 687 weight 1.1 volume 200.49561 ppm1 7.86300 ppm2 1.66400
ASSI ( resid 19 and name HN )
     ( resid 18 and name HB2 )
     6.0 0.1 0.1 peak 688 weight 1.1 volume 136.99651 ppm1 7.76162 ppm2 1.66779
ASSI ( resid 43 and name HN )
     ( resid 43 and name HB2 )
     6.0 0.1 0.1 peak 689 weight 1.1 volume 490.87271 ppm1 7.69900 ppm2 1.61800
ASSI ( resid 14 and name HN )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 690 weight 1.1 volume 444.52710 ppm1 7.65800 ppm2 1.59100
  OR ( resid 14 and name HN )
     ( resid 13 and name HB2 )
ASSI ( resid 62 and name HN )
     ( resid 62 and name HB1 )
     6.0 0.1 0.1 peak 691 weight 1.1 volume 824.34351 ppm1 7.75100 ppm2 1.58500
  OR ( resid 62 and name HN )
     ( resid 62 and name HB2 )
ASSI ( resid 61 and name HN )
     ( resid 61 and name HB1 )
     6.0 0.1 0.1 peak 692 weight 1.1 volume 476.97220 ppm1 7.86400 ppm2 1.80200
ASSI ( resid 65 and name HN )
     ( resid 65 and name HD1 )
     6.0 0.1 0.1 peak 693 weight 1.1 volume 258.16449 ppm1 7.67400 ppm2 1.51000
  OR ( resid 65 and name HN )
     ( resid 65 and name HD2 )
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 694 weight 1.1 volume 337.30130 ppm1 7.71800 ppm2 1.40200
ASSI ( resid 19 and name HN )
     ( resid 18 and name HD2 )
     6.0 0.1 0.1 peak 695 weight 1.1 volume 140.76830 ppm1 7.76900 ppm2 1.40000
  OR ( resid 19 and name HN )
     ( resid 20 and name HG11 )
  OR ( resid 19 and name HN )
     ( resid 18 and name HD1 )
ASSI ( resid 62 and name HN )
     ( resid 62 and name HG )
     6.0 0.1 0.1 peak 696 weight 1.1 volume 402.04739 ppm1 7.75100 ppm2 1.45800
ASSI ( resid 6 and name HN )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 697 weight 1.1 volume 79.98670 ppm1 8.02100 ppm2 1.90100
ASSI ( resid 67 and name HN )
     ( resid 66 and name HB1 )
     6.0 0.1 0.1 peak 698 weight 1.1 volume 91.72420 ppm1 8.03100 ppm2 1.77400
ASSI ( resid 58 and name HN )
     ( resid 59 and name HB )
     6.0 0.1 0.1 peak 699 weight 1.1 volume 146.93629 ppm1 8.08100 ppm2 1.84000
ASSI ( resid 66 and name HN )
     ( resid 66 and name HB2 )
     6.0 0.1 0.1 peak 700 weight 1.1 volume 386.82190 ppm1 8.12500 ppm2 1.84600
  OR ( resid 66 and name HN )
     ( resid 65 and name HB1 )
ASSI ( resid 66 and name HN )
     ( resid 66 and name HB1 )
     6.0 0.1 0.1 peak 701 weight 1.1 volume 455.54050 ppm1 8.12600 ppm2 1.77300
ASSI ( resid 66 and name HN )
     ( resid 65 and name HB2 )
     6.0 0.1 0.1 peak 702 weight 1.1 volume 88.63870 ppm1 8.12500 ppm2 1.67400
  OR ( resid 66 and name HN )
     ( resid 66 and name HD2 )
  OR ( resid 66 and name HN )
     ( resid 66 and name HD1 )
ASSI ( resid 58 and name HN )
     ( resid 57 and name HB2 )
     6.0 0.1 0.1 peak 703 weight 1.1 volume 436.96289 ppm1 8.08000 ppm2 1.70800
  OR ( resid 58 and name HN )
     ( resid 57 and name HB1 )
ASSI ( resid 67 and name HN )
     ( resid 66 and name HB2 )
     6.0 0.1 0.1 peak 704 weight 1.1 volume 153.76390 ppm1 8.02800 ppm2 1.85300
ASSI ( resid 13 and name HN )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 705 weight 1.1 volume 470.65939 ppm1 8.08600 ppm2 1.58500
  OR ( resid 13 and name HN )
     ( resid 13 and name HB2 )
ASSI ( resid 66 and name HN )
     ( resid 66 and name HG2 )
     6.0 0.1 0.1 peak 706 weight 1.1 volume 161.16820 ppm1 8.12500 ppm2 1.47500
ASSI ( resid 13 and name HN )
     ( resid 13 and name HG1 )
     6.0 0.1 0.1 peak 707 weight 1.1 volume 519.91638 ppm1 8.08800 ppm2 1.49800
  OR ( resid 13 and name HN )
     ( resid 13 and name HG2 )
ASSI ( resid 44 and name HN )
     ( resid 43 and name HB2 )
     6.0 0.1 0.1 peak 708 weight 1.1 volume 246.13251 ppm1 7.97300 ppm2 1.60700
  OR ( resid 44 and name HN )
     ( resid 45 and name HB2 )
  OR ( resid 44 and name HN )
     ( resid 45 and name HB1 )
ASSI ( resid 64 and name HN )
     ( resid 62 and name HB2 )
     6.0 0.1 0.1 peak 709 weight 1.1 volume 62.28400 ppm1 7.88900 ppm2 1.58300
  OR ( resid 64 and name HN )
     ( resid 62 and name HB1 )
ASSI ( resid 61 and name HN )
     ( resid 62 and name HB1 )
     6.0 0.1 0.1 peak 710 weight 1.1 volume 60.04290 ppm1 7.86600 ppm2 1.58400
  OR ( resid 61 and name HN )
     ( resid 62 and name HB2 )
ASSI ( resid 44 and name HN )
     ( resid 45 and name HG )
     6.0 0.1 0.1 peak 711 weight 1.1 volume 71.37630 ppm1 7.97400 ppm2 1.47400
ASSI ( resid 61 and name HN )
     ( resid 61 and name HG2 )
     6.0 0.1 0.1 peak 712 weight 1.1 volume 188.46210 ppm1 7.86100 ppm2 1.48300
ASSI ( resid 30 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 713 weight 1.1 volume 104.75150 ppm1 7.83000 ppm2 1.49900
  OR ( resid 30 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 67 and name HN )
     ( resid 66 and name HG2 )
     6.0 0.1 0.1 peak 714 weight 1.1 volume 83.99020 ppm1 8.03200 ppm2 1.48800
ASSI ( resid 66 and name HN )
     ( resid 65 and name HG1 )
     6.0 0.1 0.1 peak 715 weight 1.1 volume 131.72079 ppm1 8.12500 ppm2 1.41000
  OR ( resid 66 and name HN )
     ( resid 66 and name HG1 )
  OR ( resid 66 and name HN )
     ( resid 65 and name HG2 )
ASSI ( resid 58 and name HN )
     ( resid 57 and name HG1 )
     6.0 0.1 0.1 peak 716 weight 1.1 volume 236.20799 ppm1 8.08100 ppm2 1.44200
ASSI ( resid 6 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 717 weight 1.1 volume 76.89640 ppm1 8.02400 ppm2 1.35600
ASSI ( resid 44 and name HN )
     ( resid 44 and name HG1 )
     6.0 0.1 0.1 peak 718 weight 1.1 volume 301.68231 ppm1 7.97300 ppm2 1.30500
  OR ( resid 44 and name HN )
     ( resid 44 and name HG2 )
ASSI ( resid 58 and name HN )
     ( resid 57 and name HG2 )
     6.0 0.1 0.1 peak 719 weight 1.1 volume 90.12090 ppm1 8.08100 ppm2 1.23400
  OR ( resid 58 and name HN )
     ( resid 54 and name HG21 )
ASSI ( resid 13 and name HN )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 720 weight 1.1 volume 28.48770 ppm1 8.08300 ppm2 1.17200
ASSI ( resid 44 and name HN )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 721 weight 1.1 volume 28.43340 ppm1 7.97300 ppm2 1.16600
ASSI ( resid 30 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 722 weight 1.1 volume 84.58030 ppm1 7.83500 ppm2 1.08900
ASSI ( resid 19 and name HN )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 723 weight 1.1 volume 41.35940 ppm1 7.76500 ppm2 1.16400
ASSI ( resid 22 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 724 weight 1.1 volume 520.48401 ppm1 7.76400 ppm2 1.04700
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 725 weight 1.1 volume 175.92529 ppm1 7.71800 ppm2 1.04700
ASSI ( resid 43 and name HN )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 726 weight 1.1 volume 96.14890 ppm1 7.70700 ppm2 1.16300
ASSI ( resid 14 and name HN )
     ( resid 14 and name HB )
     6.0 0.1 0.1 peak 727 weight 1.1 volume 520.91278 ppm1 7.65700 ppm2 1.10000
ASSI ( resid 35 and name HD21 )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 728 weight 1.1 volume 117.17580 ppm1 7.60600 ppm2 1.08800
ASSI ( resid 29 and name HD22 )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 729 weight 1.1 volume 57.39840 ppm1 7.53600 ppm2 1.09100
ASSI ( resid 55 and name HD1 )
     ( resid 14 and name HB )
     6.0 0.1 0.1 peak 730 weight 1.1 volume 34.20760 ppm1 7.57100 ppm2 1.09400
ASSI ( resid 64 and name HN )
     ( resid 63 and name HD21 )
     6.0 0.1 0.1 peak 731 weight 1.1 volume 45.67530 ppm1 7.89000 ppm2 0.90500
ASSI ( resid 64 and name HN )
     ( resid 63 and name HD11 )
     6.0 0.1 0.1 peak 732 weight 1.1 volume 30.70410 ppm1 7.89100 ppm2 0.84200
ASSI ( resid 19 and name HN )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 733 weight 1.1 volume 198.34340 ppm1 7.76600 ppm2 0.96000
  OR ( resid 19 and name HN )
     ( resid 18 and name HG1 )
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 734 weight 1.1 volume 240.98590 ppm1 7.72100 ppm2 0.95500
ASSI ( resid 14 and name HN )
     ( resid 14 and name HG11 )
     6.0 0.1 0.1 peak 735 weight 1.1 volume 268.20111 ppm1 7.65700 ppm2 0.96500
ASSI ( attr store1 < 7.731 and attr store1 > 7.691 )
     ( attr store1 < 0.926 and attr store1 > 0.846 )
     6.0 0.1 0.1 peak 736 volume 142.25470 ppm1 7.71100 ppm2 0.88600
ASSI ( resid 22 and name HN )
     ( resid 63 and name HD11 )
     6.0 0.1 0.1 peak 737 weight 1.1 volume 189.97459 ppm1 7.76300 ppm2 0.84600
ASSI ( resid 22 and name HN )
     ( resid 21 and name HG11 )
     6.0 0.1 0.1 peak 738 weight 1.1 volume 264.60431 ppm1 7.76300 ppm2 0.89200
  OR ( resid 22 and name HN )
     ( resid 63 and name HD21 )
ASSI ( resid 67 and name HN )
     ( resid 67 and name HG21 )
     6.0 0.1 0.1 peak 739 weight 1.1 volume 337.62231 ppm1 8.03000 ppm2 0.91900
  OR ( resid 67 and name HN )
     ( resid 67 and name HG11 )
ASSI ( resid 66 and name HN )
     ( resid 67 and name HG21 )
     6.0 0.1 0.1 peak 740 weight 1.1 volume 35.55040 ppm1 8.12300 ppm2 0.91800
ASSI ( attr store1 < 8.095 and attr store1 > 8.055 )
     ( attr store1 < 0.957 and attr store1 > 0.877 )
     6.0 0.1 0.1 peak 741 volume 43.26610 ppm1 8.07500 ppm2 0.91700
ASSI ( resid 44 and name HN )
     ( resid 45 and name HD21 )
     6.0 0.1 0.1 peak 742 weight 1.1 volume 36.79170 ppm1 7.97800 ppm2 0.88500
ASSI ( attr store1 < 8.041 and attr store1 > 8.001 )
     ( attr store1 < 0.899 and attr store1 > 0.819 )
     6.0 0.1 0.1 peak 743 volume 161.44141 ppm1 8.02100 ppm2 0.85900
ASSI ( attr store1 < 8.041 and attr store1 > 8.001 )
     ( attr store1 < 0.783 and attr store1 > 0.703 )
     6.0 0.1 0.1 peak 744 volume 79.92670 ppm1 8.02100 ppm2 0.74300
ASSI ( resid 6 and name HN )
     ( resid 34 and name HG21 )
     6.0 0.1 0.1 peak 745 weight 1.1 volume 40.50370 ppm1 8.02200 ppm2 0.69100
ASSI ( attr store1 < 8.101 and attr store1 > 8.061 )
     ( attr store1 < 0.753 and attr store1 > 0.673 )
     6.0 0.1 0.1 peak 746 volume 32.83380 ppm1 8.08100 ppm2 0.71300
ASSI ( resid 22 and name HN )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 747 weight 1.1 volume 437.54309 ppm1 7.75000 ppm2 0.72300
  OR ( resid 22 and name HN )
     ( resid 62 and name HD11 )
  OR ( resid 22 and name HN )
     ( resid 62 and name HD21 )
  OR ( resid 62 and name HN )
     ( resid 21 and name HG21 )
  OR ( resid 62 and name HN )
     ( resid 62 and name HD11 )
  OR ( resid 62 and name HN )
     ( resid 62 and name HD21 )
ASSI ( attr store1 < 7.698 and attr store1 > 7.658 )
     ( attr store1 < 0.764 and attr store1 > 0.684 )
     6.0 0.1 0.1 peak 748 volume 43.53450 ppm1 7.67800 ppm2 0.72400
ASSI ( attr store1 < 7.739 and attr store1 > 7.699 )
     ( attr store1 < 0.762 and attr store1 > 0.682 )
     6.0 0.1 0.1 peak 749 volume 64.15740 ppm1 7.71900 ppm2 0.72200
ASSI ( resid 62 and name HN )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 750 weight 1.1 volume 93.52820 ppm1 7.75200 ppm2 0.63400
ASSI ( resid 14 and name HN )
     ( resid 14 and name HD11 )
     6.0 0.1 0.1 peak 751 weight 1.1 volume 110.84420 ppm1 7.65700 ppm2 0.51000
ASSI ( resid 20 and name HN )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 752 weight 1.1 volume 148.27470 ppm1 7.72200 ppm2 0.35300
ASSI ( resid 22 and name HN )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 753 weight 1.1 volume 148.86330 ppm1 7.76500 ppm2 0.35200
ASSI ( resid 61 and name HN )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 754 weight 1.1 volume 219.15089 ppm1 7.86400 ppm2 0.34500
ASSI ( resid 61 and name HN )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 755 weight 1.1 volume 156.31889 ppm1 7.86300 ppm2 0.28100
ASSI ( resid 6 and name HN )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 756 weight 1.1 volume 70.72650 ppm1 8.02400 ppm2 0.17200
ASSI ( attr store1 < 8.099 and attr store1 > 8.059 )
     ( attr store1 < 0.342 and attr store1 > 0.262 )
     6.0 0.1 0.1 peak 757 volume 34.94070 ppm1 8.07900 ppm2 0.30200
ASSI ( resid 14 and name HN )
     ( resid 14 and name HG12 )
     6.0 0.1 0.1 peak 758 weight 1.1 volume 128.07201 ppm1 7.65500 ppm2 0.11100
ASSI ( resid 14 and name HN )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 759 weight 1.1 volume 264.27850 ppm1 7.65600 ppm2 0.06300
ASSI ( resid 58 and name HN )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 760 weight 1.1 volume 15.40760 ppm1 8.07900 ppm2 -0.56100
ASSI ( resid 55 and name HD1 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 761 weight 1.1 volume 129.65331 ppm1 7.57100 ppm2 -0.56000
ASSI ( resid 57 and name HN )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 762 weight 1.1 volume 347.00211 ppm1 7.51900 ppm2 -0.56000
ASSI ( resid 55 and name HE3 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 763 weight 1.1 volume 75.95950 ppm1 7.35300 ppm2 -0.56000
ASSI ( resid 23 and name HE1 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 764 weight 1.1 volume 218.44991 ppm1 7.10300 ppm2 -0.38100
  OR ( resid 23 and name HE2 )
     ( resid 37 and name HG21 )
ASSI ( resid 39 and name HD2 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 765 weight 1.1 volume 297.36169 ppm1 7.14200 ppm2 -0.38100
  OR ( resid 39 and name HD1 )
     ( resid 37 and name HG21 )
ASSI ( resid 39 and name HD1 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 766 weight 1.1 volume 365.64200 ppm1 7.14000 ppm2 -0.56100
  OR ( resid 39 and name HD2 )
     ( resid 56 and name HG11 )
ASSI ( resid 23 and name HZ )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 767 weight 1.1 volume 19.60990 ppm1 7.25100 ppm2 -0.37900
ASSI ( resid 55 and name HZ2 )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 768 weight 1.1 volume 73.83040 ppm1 7.52900 ppm2 0.06500
ASSI ( resid 55 and name HD1 )
     ( resid 14 and name HG12 )
     6.0 0.1 0.1 peak 769 weight 1.1 volume 71.72040 ppm1 7.57300 ppm2 0.11400
ASSI ( resid 55 and name HD1 )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 770 weight 1.1 volume 132.38130 ppm1 7.57100 ppm2 0.06300
ASSI ( resid 55 and name HE3 )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 771 weight 1.1 volume 134.98180 ppm1 7.35400 ppm2 0.06200
ASSI ( resid 16 and name HD2 )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 772 weight 1.1 volume 34.99620 ppm1 7.21800 ppm2 0.06400
ASSI ( resid 34 and name HN )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 773 weight 1.1 volume 309.66220 ppm1 7.25600 ppm2 0.16900
ASSI ( resid 26 and name HE22 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 774 weight 1.1 volume 70.48230 ppm1 7.10100 ppm2 0.17000
ASSI ( resid 23 and name HZ )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 775 weight 1.1 volume 79.06970 ppm1 7.25200 ppm2 0.28100
ASSI ( resid 23 and name HZ )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 776 weight 1.1 volume 355.01669 ppm1 7.25700 ppm2 0.34600
ASSI ( resid 55 and name HE3 )
     ( resid 56 and name HG21 )
     6.0 0.1 0.1 peak 777 weight 1.1 volume 26.83000 ppm1 7.35500 ppm2 0.31500
ASSI ( resid 55 and name HZ2 )
     ( resid 56 and name HG21 )
     6.0 0.1 0.1 peak 778 weight 1.1 volume 388.89969 ppm1 7.51400 ppm2 0.30900
  OR ( resid 57 and name HN )
     ( resid 56 and name HG21 )
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
     ( attr store1 < 0.391 and attr store1 > 0.311 )
     6.0 0.1 0.1 peak 779 volume 30.02150 ppm1 7.30000 ppm2 0.35100
ASSI ( attr store1 < 7.24 and attr store1 > 7.2 )
     ( attr store1 < 0.385 and attr store1 > 0.305 )
     6.0 0.1 0.1 peak 780 volume 23.94220 ppm1 7.22000 ppm2 0.34500
ASSI ( attr store1 < 7.369 and attr store1 > 7.329 )
     ( attr store1 < 0.39 and attr store1 > 0.31 )
     6.0 0.1 0.1 peak 781 volume 51.46810 ppm1 7.34900 ppm2 0.35000
ASSI ( resid 55 and name HD1 )
     ( resid 14 and name HD11 )
     6.0 0.1 0.1 peak 782 weight 1.1 volume 122.72970 ppm1 7.57100 ppm2 0.50800
ASSI ( resid 55 and name HZ2 )
     ( resid 14 and name HD11 )
     6.0 0.1 0.1 peak 783 weight 1.1 volume 33.62650 ppm1 7.52300 ppm2 0.51200
ASSI ( resid 25 and name HE )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 784 weight 1.1 volume 56.83690 ppm1 7.43400 ppm2 0.53000
ASSI ( attr store1 < 7.366 and attr store1 > 7.326 )
     ( attr store1 < 0.556 and attr store1 > 0.476 )
     6.0 0.1 0.1 peak 785 volume 31.66290 ppm1 7.34600 ppm2 0.51600
ASSI ( resid 23 and name HZ )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 786 weight 1.1 volume 64.51840 ppm1 7.25300 ppm2 0.52900
ASSI ( attr store1 < 7.162 and attr store1 > 7.122 )
     ( attr store1 < 0.561 and attr store1 > 0.481 )
     6.0 0.1 0.1 peak 787 volume 174.42070 ppm1 7.14200 ppm2 0.52100
ASSI ( resid 23 and name HE1 )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 788 weight 1.1 volume 257.39960 ppm1 7.10400 ppm2 0.53100
ASSI ( resid 59 and name HN )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 789 weight 1.1 volume 160.73680 ppm1 7.50700 ppm2 0.63500
ASSI ( resid 59 and name HN )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 790 weight 1.1 volume 260.47919 ppm1 7.50800 ppm2 0.70100
ASSI ( resid 55 and name HD1 )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 791 weight 1.1 volume 19.04820 ppm1 7.57000 ppm2 0.70000
ASSI ( resid 25 and name HE )
     ( resid 27 and name HD11 )
     6.0 0.1 0.1 peak 792 weight 1.1 volume 22.58410 ppm1 7.43600 ppm2 0.81200
ASSI ( resid 55 and name HE3 )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 793 weight 1.1 volume 713.71442 ppm1 7.35200 ppm2 0.70000
ASSI ( resid 55 and name HE3 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 794 weight 1.1 volume 55.64030 ppm1 7.35200 ppm2 0.63200
ASSI ( resid 34 and name HN )
     ( resid 34 and name HG21 )
     6.0 0.1 0.1 peak 795 weight 1.1 volume 331.88980 ppm1 7.25800 ppm2 0.68600
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name HD11 )
     6.0 0.1 0.1 peak 796 weight 1.1 volume 83.86390 ppm1 7.21600 ppm2 0.72000
ASSI ( attr store1 < 7.282 and attr store1 > 7.242 )
     ( attr store1 < 0.781 and attr store1 > 0.701 )
     6.0 0.1 0.1 peak 797 volume 183.75760 ppm1 7.26200 ppm2 0.74100
ASSI ( attr store1 < 7.321 and attr store1 > 7.281 )
     ( attr store1 < 0.77 and attr store1 > 0.69 )
     6.0 0.1 0.1 peak 798 volume 102.18880 ppm1 7.30100 ppm2 0.73000
ASSI ( resid 34 and name HN )
     ( resid 34 and name HG12 )
     6.0 0.1 0.1 peak 799 weight 1.1 volume 886.66852 ppm1 7.26000 ppm2 0.86200
  OR ( resid 34 and name HN )
     ( resid 34 and name HG11 )
ASSI ( attr store1 < 7.362 and attr store1 > 7.322 )
     ( attr store1 < 0.899 and attr store1 > 0.819 )
     6.0 0.1 0.1 peak 800 volume 211.21060 ppm1 7.34200 ppm2 0.85900
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
     ( attr store1 < 0.891 and attr store1 > 0.811 )
     6.0 0.1 0.1 peak 801 volume 164.48489 ppm1 7.30000 ppm2 0.85100
ASSI ( resid 55 and name HE3 )
     ( resid 59 and name HG11 )
     6.0 0.1 0.1 peak 802 weight 1.1 volume 70.73640 ppm1 7.35000 ppm2 0.90900
ASSI ( resid 19 and name HE2 )
     ( resid 18 and name HG1 )
     6.0 0.1 0.1 peak 803 weight 1.1 volume 82.16200 ppm1 7.33700 ppm2 0.96200
  OR ( resid 19 and name HE2 )
     ( resid 20 and name HG12 )
  OR ( resid 19 and name HE1 )
     ( resid 18 and name HG1 )
  OR ( resid 19 and name HE1 )
     ( resid 20 and name HG12 )
ASSI ( resid 19 and name HD1 )
     ( resid 18 and name HG1 )
     6.0 0.1 0.1 peak 804 weight 1.1 volume 76.73350 ppm1 7.30000 ppm2 0.97400
ASSI ( attr store1 < 7.16 and attr store1 > 7.12 )
     ( attr store1 < 0.672 and attr store1 > 0.592 )
     6.0 0.1 0.1 peak 805 volume 266.46591 ppm1 7.14000 ppm2 0.63200
ASSI ( attr store1 < 7.119 and attr store1 > 7.079 )
     ( attr store1 < 0.672 and attr store1 > 0.592 )
     6.0 0.1 0.1 peak 806 volume 230.24071 ppm1 7.09900 ppm2 0.63200
ASSI ( resid 13 and name HE )
     ( resid 15 and name HD11 )
     6.0 0.1 0.1 peak 807 weight 1.1 volume 44.31920 ppm1 7.06300 ppm2 0.72600
ASSI ( attr store1 < 7.12 and attr store1 > 7.08 )
     ( attr store1 < 0.744 and attr store1 > 0.664 )
     6.0 0.1 0.1 peak 808 volume 382.43179 ppm1 7.10000 ppm2 0.70400
ASSI ( resid 45 and name HN )
     ( resid 45 and name HD11 )
     6.0 0.1 0.1 peak 809 weight 1.1 volume 130.76120 ppm1 7.16400 ppm2 0.84700
ASSI ( resid 58 and name HD2 )
     ( resid 59 and name HG11 )
     6.0 0.1 0.1 peak 810 weight 1.1 volume 541.32239 ppm1 7.10400 ppm2 0.90300
  OR ( resid 58 and name HD1 )
     ( resid 59 and name HG11 )
ASSI ( attr store1 < 7.123 and attr store1 > 7.083 )
     ( attr store1 < 0.887 and attr store1 > 0.807 )
     6.0 0.1 0.1 peak 811 volume 375.63400 ppm1 7.10300 ppm2 0.84700
ASSI ( resid 39 and name HD1 )
     ( resid 47 and name HG21 )
     6.0 0.1 0.1 peak 812 weight 1.1 volume 196.74229 ppm1 7.14200 ppm2 0.95300
ASSI ( attr store1 < 7.161 and attr store1 > 7.121 )
     ( attr store1 < 0.937 and attr store1 > 0.857 )
     6.0 0.1 0.1 peak 813 volume 318.12341 ppm1 7.14100 ppm2 0.89700
ASSI ( resid 29 and name HD22 )
     ( resid 27 and name HD21 )
     6.0 0.1 0.1 peak 814 weight 1.1 volume 49.76310 ppm1 7.53500 ppm2 0.86000
ASSI ( resid 59 and name HN )
     ( resid 59 and name HG11 )
     6.0 0.1 0.1 peak 815 weight 1.1 volume 202.32179 ppm1 7.50800 ppm2 0.91200
ASSI ( resid 55 and name HD1 )
     ( resid 14 and name HG11 )
     6.0 0.1 0.1 peak 816 weight 1.1 volume 48.02350 ppm1 7.57100 ppm2 0.96300
ASSI ( attr store1 < 7.121 and attr store1 > 7.081 )
     ( attr store1 < 1.087 and attr store1 > 1.007 )
     6.0 0.1 0.1 peak 817 volume 64.00910 ppm1 7.10100 ppm2 1.04700
ASSI ( resid 34 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 818 weight 1.1 volume 74.42010 ppm1 7.25700 ppm2 1.09000
ASSI ( attr store1 < 7.274 and attr store1 > 7.234 )
     ( attr store1 < 1.217 and attr store1 > 1.137 )
     6.0 0.1 0.1 peak 819 volume 42.13860 ppm1 7.25400 ppm2 1.17700
ASSI ( attr store1 < 7.318 and attr store1 > 7.278 )
     ( attr store1 < 1.204 and attr store1 > 1.124 )
     6.0 0.1 0.1 peak 820 volume 71.23450 ppm1 7.29800 ppm2 1.16400
ASSI ( attr store1 < 7.358 and attr store1 > 7.318 )
     ( attr store1 < 1.209 and attr store1 > 1.129 )
     6.0 0.1 0.1 peak 821 volume 94.43480 ppm1 7.33800 ppm2 1.16900
ASSI ( attr store1 < 7.368 and attr store1 > 7.328 )
     ( attr store1 < 1.284 and attr store1 > 1.204 )
     6.0 0.1 0.1 peak 822 volume 55.41510 ppm1 7.34800 ppm2 1.24400
ASSI ( attr store1 < 7.162 and attr store1 > 7.122 )
     ( attr store1 < 1.202 and attr store1 > 1.122 )
     6.0 0.1 0.1 peak 823 volume 290.76639 ppm1 7.14200 ppm2 1.16200
ASSI ( attr store1 < 7.113 and attr store1 > 7.073 )
     ( attr store1 < 1.277 and attr store1 > 1.197 )
     6.0 0.1 0.1 peak 824 volume 128.76711 ppm1 7.09300 ppm2 1.23700
ASSI ( attr store1 < 7.176 and attr store1 > 7.136 )
     ( attr store1 < 1.343 and attr store1 > 1.263 )
     6.0 0.1 0.1 peak 825 volume 87.04080 ppm1 7.15600 ppm2 1.30300
ASSI ( attr store1 < 7.16 and attr store1 > 7.12 )
     ( attr store1 < 1.087 and attr store1 > 1.007 )
     6.0 0.1 0.1 peak 826 volume 502.43790 ppm1 7.14000 ppm2 1.04700
ASSI ( resid 35 and name HD22 )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 827 weight 1.1 volume 288.63681 ppm1 7.14400 ppm2 1.09000
ASSI ( attr store1 < 7.197 and attr store1 > 7.157 )
     ( attr store1 < 1.216 and attr store1 > 1.136 )
     6.0 0.1 0.1 peak 828 volume 86.18420 ppm1 7.17700 ppm2 1.17600
ASSI ( resid 52 and name HN )
     ( resid 52 and name HG2 )
     6.0 0.1 0.1 peak 829 weight 1.1 volume 293.06970 ppm1 7.48500 ppm2 1.24600
ASSI ( resid 55 and name HZ2 )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 830 weight 1.1 volume 85.81500 ppm1 7.52500 ppm2 1.16900
ASSI ( resid 57 and name HN )
     ( resid 57 and name HG2 )
     6.0 0.1 0.1 peak 831 weight 1.1 volume 457.48679 ppm1 7.51900 ppm2 1.23600
ASSI ( resid 52 and name HN )
     ( resid 52 and name HG1 )
     6.0 0.1 0.1 peak 832 weight 1.1 volume 278.17639 ppm1 7.48800 ppm2 1.35500
ASSI ( resid 55 and name HD1 )
     ( resid 54 and name HG21 )
     6.0 0.1 0.1 peak 833 weight 1.1 volume 61.57250 ppm1 7.57000 ppm2 1.23700
ASSI ( resid 25 and name HE )
     ( resid 25 and name HG1 )
     6.0 0.1 0.1 peak 834 weight 1.1 volume 148.02010 ppm1 7.43500 ppm2 1.43600
  OR ( resid 25 and name HE )
     ( resid 25 and name HG2 )
ASSI ( resid 52 and name HN )
     ( resid 52 and name HB1 )
     6.0 0.1 0.1 peak 835 weight 1.1 volume 548.81409 ppm1 7.48800 ppm2 1.47800
  OR ( resid 52 and name HN )
     ( resid 52 and name HB2 )
ASSI ( resid 57 and name HN )
     ( resid 57 and name HG1 )
     6.0 0.1 0.1 peak 836 weight 1.1 volume 261.68179 ppm1 7.51500 ppm2 1.46000
ASSI ( attr store1 < 7.549 and attr store1 > 7.509 )
     ( attr store1 < 1.563 and attr store1 > 1.483 )
     6.0 0.1 0.1 peak 837 volume 610.68372 ppm1 7.52900 ppm2 1.52300
ASSI ( resid 52 and name HN )
     ( resid 52 and name HD2 )
     6.0 0.1 0.1 peak 838 weight 1.1 volume 149.84940 ppm1 7.49300 ppm2 1.60800
ASSI ( resid 59 and name HN )
     ( resid 62 and name HB2 )
     6.0 0.1 0.1 peak 839 weight 1.1 volume 223.42110 ppm1 7.51100 ppm2 1.58400
  OR ( resid 59 and name HN )
     ( resid 13 and name HB2 )
  OR ( resid 55 and name HZ2 )
     ( resid 62 and name HB2 )
  OR ( resid 55 and name HZ2 )
     ( resid 13 and name HB2 )
ASSI ( resid 57 and name HN )
     ( resid 57 and name HB1 )
     6.0 0.1 0.1 peak 840 weight 1.1 volume 801.86578 ppm1 7.51300 ppm2 1.71200
  OR ( resid 57 and name HN )
     ( resid 57 and name HB2 )
ASSI ( resid 25 and name HE )
     ( resid 25 and name HB2 )
     6.0 0.1 0.1 peak 841 weight 1.1 volume 353.49438 ppm1 7.43400 ppm2 1.69300
  OR ( resid 25 and name HE )
     ( resid 25 and name HB1 )
ASSI ( resid 52 and name HN )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 842 weight 1.1 volume 223.00050 ppm1 7.48800 ppm2 1.78400
ASSI ( resid 57 and name HN )
     ( resid 56 and name HB )
     6.0 0.1 0.1 peak 843 weight 1.1 volume 709.78149 ppm1 7.51200 ppm2 1.77300
ASSI ( resid 59 and name HN )
     ( resid 59 and name HB )
     6.0 0.1 0.1 peak 844 weight 1.1 volume 581.27710 ppm1 7.51000 ppm2 1.83900
ASSI ( resid 55 and name HD1 )
     ( resid 53 and name HB2 )
     6.0 0.1 0.1 peak 845 weight 1.1 volume 295.06671 ppm1 7.57200 ppm2 1.87900
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name HB1 )
     6.0 0.1 0.1 peak 846 weight 1.1 volume 26.78890 ppm1 7.21800 ppm2 1.26100
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 847 weight 1.1 volume 22.25070 ppm1 7.21600 ppm2 1.34000
ASSI ( resid 53 and name HN )
     ( resid 52 and name HG1 )
     6.0 0.1 0.1 peak 848 weight 1.1 volume 157.99660 ppm1 7.15000 ppm2 1.35600
ASSI ( resid 39 and name HD2 )
     ( resid 49 and name HB1 )
     6.0 0.1 0.1 peak 849 weight 1.1 volume 535.74933 ppm1 7.14100 ppm2 1.23900
ASSI ( resid 26 and name HE22 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 850 weight 1.1 volume 98.56110 ppm1 7.10000 ppm2 1.35500
ASSI ( attr store1 < 7.057 and attr store1 > 7.017 )
     ( attr store1 < 1.392 and attr store1 > 1.312 )
     6.0 0.1 0.1 peak 851 volume 16.79860 ppm1 7.03700 ppm2 1.35200
ASSI ( attr store1 < 7.371 and attr store1 > 7.331 )
     ( attr store1 < 1.385 and attr store1 > 1.305 )
     6.0 0.1 0.1 peak 852 volume 80.34160 ppm1 7.35100 ppm2 1.34500
ASSI ( attr store1 < 7.279 and attr store1 > 7.239 )
     ( attr store1 < 1.397 and attr store1 > 1.317 )
     6.0 0.1 0.1 peak 853 volume 65.29500 ppm1 7.25900 ppm2 1.35700
ASSI ( attr store1 < 7.355 and attr store1 > 7.315 )
     ( attr store1 < 1.464 and attr store1 > 1.384 )
     6.0 0.1 0.1 peak 854 volume 106.01280 ppm1 7.33500 ppm2 1.42400
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
     ( attr store1 < 1.465 and attr store1 > 1.385 )
     6.0 0.1 0.1 peak 855 volume 115.34200 ppm1 7.30000 ppm2 1.42500
ASSI ( resid 23 and name HZ )
     ( resid 25 and name HG2 )
     6.0 0.1 0.1 peak 856 weight 1.1 volume 111.63810 ppm1 7.25600 ppm2 1.43100
  OR ( resid 23 and name HZ )
     ( resid 25 and name HG1 )
ASSI ( attr store1 < 7.354 and attr store1 > 7.314 )
     ( attr store1 < 1.54 and attr store1 > 1.46 )
     6.0 0.1 0.1 peak 857 volume 63.84620 ppm1 7.33400 ppm2 1.50000
ASSI ( attr store1 < 7.368 and attr store1 > 7.328 )
     ( attr store1 < 1.607 and attr store1 > 1.527 )
     6.0 0.1 0.1 peak 858 volume 46.97690 ppm1 7.34800 ppm2 1.56700
ASSI ( attr store1 < 7.321 and attr store1 > 7.281 )
     ( attr store1 < 1.537 and attr store1 > 1.457 )
     6.0 0.1 0.1 peak 859 volume 82.06150 ppm1 7.30100 ppm2 1.49700
ASSI ( resid 61 and name HE )
     ( resid 61 and name HG2 )
     6.0 0.1 0.1 peak 860 weight 1.1 volume 115.04590 ppm1 7.21400 ppm2 1.47700
ASSI ( resid 9 and name HN )
     ( resid 8 and name HG )
     6.0 0.1 0.1 peak 861 weight 1.1 volume 186.71660 ppm1 7.26300 ppm2 1.50800
ASSI ( resid 9 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 862 weight 1.1 volume 336.92120 ppm1 7.26300 ppm2 1.57400
  OR ( resid 9 and name HN )
     ( resid 8 and name HB1 )
ASSI ( resid 45 and name HN )
     ( resid 45 and name HG )
     6.0 0.1 0.1 peak 863 weight 1.1 volume 425.37421 ppm1 7.15800 ppm2 1.47000
ASSI ( resid 23 and name HE2 )
     ( resid 25 and name HG2 )
     6.0 0.1 0.1 peak 864 weight 1.1 volume 272.05151 ppm1 7.10400 ppm2 1.44000
  OR ( resid 23 and name HE1 )
     ( resid 25 and name HG2 )
ASSI ( resid 13 and name HE )
     ( resid 13 and name HG1 )
     6.0 0.1 0.1 peak 865 weight 1.1 volume 105.21140 ppm1 7.06100 ppm2 1.49000
  OR ( resid 13 and name HE )
     ( resid 13 and name HG2 )
ASSI ( resid 45 and name HN )
     ( resid 45 and name HB1 )
     6.0 0.1 0.1 peak 866 weight 1.1 volume 564.03778 ppm1 7.15800 ppm2 1.57300
  OR ( resid 45 and name HN )
     ( resid 45 and name HB2 )
ASSI ( resid 13 and name HE )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 867 weight 1.1 volume 136.32040 ppm1 7.06500 ppm2 1.58400
  OR ( resid 13 and name HE )
     ( resid 13 and name HB1 )
ASSI ( attr store1 < 7.122 and attr store1 > 7.082 )
     ( attr store1 < 1.619 and attr store1 > 1.539 )
     6.0 0.1 0.1 peak 868 volume 132.00920 ppm1 7.10200 ppm2 1.57900
ASSI ( attr store1 < 7.322 and attr store1 > 7.282 )
     ( attr store1 < 1.686 and attr store1 > 1.606 )
     6.0 0.1 0.1 peak 869 volume 27.89890 ppm1 7.30200 ppm2 1.64600
ASSI ( resid 23 and name HZ )
     ( resid 25 and name HB1 )
     6.0 0.1 0.1 peak 870 weight 1.1 volume 150.73700 ppm1 7.25300 ppm2 1.69400
ASSI ( resid 61 and name HE )
     ( resid 61 and name HG1 )
     6.0 0.1 0.1 peak 871 weight 1.1 volume 91.50230 ppm1 7.21700 ppm2 1.66300
ASSI ( resid 23 and name HE2 )
     ( resid 25 and name HB1 )
     6.0 0.1 0.1 peak 872 weight 1.1 volume 560.40460 ppm1 7.10200 ppm2 1.69500
  OR ( resid 23 and name HE2 )
     ( resid 25 and name HB2 )
  OR ( resid 23 and name HE1 )
     ( resid 25 and name HB1 )
  OR ( resid 23 and name HE1 )
     ( resid 25 and name HB2 )
ASSI ( attr store1 < 7.057 and attr store1 > 7.017 )
     ( attr store1 < 1.742 and attr store1 > 1.662 )
     6.0 0.1 0.1 peak 873 volume 196.28030 ppm1 7.03700 ppm2 1.70200
ASSI ( attr store1 < 7.06 and attr store1 > 7.02 )
     ( attr store1 < 1.832 and attr store1 > 1.752 )
     6.0 0.1 0.1 peak 874 volume 65.13420 ppm1 7.04000 ppm2 1.79200
ASSI ( resid 42 and name HZ1 )
     ( resid 42 and name HD1 )
     6.0 0.1 0.1 peak 875 weight 1.1 volume 61.01050 ppm1 7.30200 ppm2 1.72800
  OR ( resid 42 and name HZ1 )
     ( resid 42 and name HD2 )
ASSI ( attr store1 < 7.173 and attr store1 > 7.133 )
     ( attr store1 < 1.746 and attr store1 > 1.666 )
     6.0 0.1 0.1 peak 876 volume 282.65491 ppm1 7.15300 ppm2 1.70600
ASSI ( attr store1 < 7.357 and attr store1 > 7.317 )
     ( attr store1 < 1.915 and attr store1 > 1.835 )
     6.0 0.1 0.1 peak 877 volume 40.68260 ppm1 7.33700 ppm2 1.87500
ASSI ( attr store1 < 7.37 and attr store1 > 7.33 )
     ( attr store1 < 1.878 and attr store1 > 1.798 )
     6.0 0.1 0.1 peak 878 volume 82.61210 ppm1 7.35000 ppm2 1.83800
ASSI ( resid 42 and name HZ1 )
     ( resid 42 and name HB2 )
     6.0 0.1 0.1 peak 879 weight 1.1 volume 58.26740 ppm1 7.30100 ppm2 1.86700
ASSI ( resid 34 and name HN )
     ( resid 34 and name HB )
     6.0 0.1 0.1 peak 880 weight 1.1 volume 260.80261 ppm1 7.25500 ppm2 1.90300
ASSI ( resid 42 and name HZ1 )
     ( resid 42 and name HB1 )
     6.0 0.1 0.1 peak 881 weight 1.1 volume 36.25350 ppm1 7.29900 ppm2 1.97900
ASSI ( resid 4 and name HZ )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 882 weight 1.1 volume 28.30660 ppm1 7.25600 ppm2 2.04400
ASSI ( resid 61 and name HE )
     ( resid 61 and name HB2 )
     6.0 0.1 0.1 peak 883 weight 1.1 volume 153.52859 ppm1 7.21200 ppm2 1.83000
  OR ( resid 61 and name HE )
     ( resid 61 and name HB1 )
ASSI ( resid 53 and name HN )
     ( resid 53 and name HB2 )
     6.0 0.1 0.1 peak 884 weight 1.1 volume 643.67188 ppm1 7.15500 ppm2 1.87800
ASSI ( resid 23 and name HE1 )
     ( resid 63 and name HB1 )
     6.0 0.1 0.1 peak 885 weight 1.1 volume 262.63379 ppm1 7.10300 ppm2 1.94300
  OR ( resid 23 and name HE2 )
     ( resid 63 and name HB1 )
ASSI ( resid 23 and name HE1 )
     ( resid 63 and name HG )
     6.0 0.1 0.1 peak 886 weight 1.1 volume 448.32379 ppm1 7.10400 ppm2 1.84200
  OR ( resid 23 and name HE2 )
     ( resid 63 and name HG )
ASSI ( resid 26 and name HE22 )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 887 weight 1.1 volume 82.04430 ppm1 7.10200 ppm2 2.04400
ASSI ( resid 45 and name HN )
     ( resid 44 and name HB2 )
     6.0 0.1 0.1 peak 888 weight 1.1 volume 64.00070 ppm1 7.16000 ppm2 2.10100
ASSI ( resid 39 and name HD2 )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 889 weight 1.1 volume 233.52609 ppm1 7.14300 ppm2 2.03100
  OR ( resid 39 and name HD1 )
     ( resid 47 and name HB )
ASSI ( resid 52 and name HN )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 890 weight 1.1 volume 48.13800 ppm1 7.49100 ppm2 2.08000
ASSI ( resid 55 and name HD1 )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 891 weight 1.1 volume 81.50690 ppm1 7.57100 ppm2 2.20200
ASSI ( resid 59 and name HN )
     ( resid 59 and name HG12 )
     6.0 0.1 0.1 peak 892 weight 1.1 volume 613.15051 ppm1 7.51000 ppm2 2.21100
  OR ( resid 59 and name HN )
     ( resid 53 and name HG2 )
  OR ( resid 57 and name HN )
     ( resid 59 and name HG12 )
  OR ( resid 57 and name HN )
     ( resid 53 and name HG2 )
ASSI ( resid 55 and name HE3 )
     ( resid 59 and name HG12 )
     6.0 0.1 0.1 peak 893 weight 1.1 volume 166.34070 ppm1 7.34600 ppm2 2.21600
ASSI ( attr store1 < 7.275 and attr store1 > 7.235 )
     ( attr store1 < 2.271 and attr store1 > 2.191 )
     6.0 0.1 0.1 peak 894 volume 77.05920 ppm1 7.25500 ppm2 2.23100
ASSI ( resid 53 and name HN )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 895 weight 1.1 volume 351.51001 ppm1 7.15700 ppm2 2.20200
ASSI ( resid 26 and name HE22 )
     ( resid 26 and name HG2 )
     6.0 0.1 0.1 peak 896 weight 1.1 volume 547.07678 ppm1 7.09900 ppm2 2.21400
  OR ( resid 26 and name HE22 )
     ( resid 26 and name HG1 )
  OR ( resid 26 and name HE22 )
     ( resid 59 and name HG12 )
  OR ( resid 58 and name HD1 )
     ( resid 26 and name HG2 )
  OR ( resid 58 and name HD1 )
     ( resid 26 and name HG1 )
  OR ( resid 58 and name HD1 )
     ( resid 59 and name HG12 )
  OR ( resid 58 and name HD2 )
     ( resid 26 and name HG2 )
  OR ( resid 58 and name HD2 )
     ( resid 26 and name HG1 )
  OR ( resid 58 and name HD2 )
     ( resid 59 and name HG12 )
ASSI ( resid 53 and name HE22 )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 897 weight 1.1 volume 50.46770 ppm1 7.03800 ppm2 2.20000
ASSI ( resid 53 and name HN )
     ( resid 53 and name HG1 )
     6.0 0.1 0.1 peak 898 weight 1.1 volume 274.17929 ppm1 7.15700 ppm2 2.44600
ASSI ( resid 53 and name HE22 )
     ( resid 53 and name HG1 )
     6.0 0.1 0.1 peak 899 weight 1.1 volume 22.57740 ppm1 7.03700 ppm2 2.44300
ASSI ( attr store1 < 7.37617 and attr store1 > 7.33617 )
     ( attr store1 < 2.42555 and attr store1 > 2.34555 )
     6.0 0.1 0.1 peak 900 volume 23.65430 ppm1 7.35617 ppm2 2.38555
ASSI ( resid 55 and name HZ2 )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 901 weight 1.1 volume 114.37610 ppm1 7.52800 ppm2 2.38600
ASSI ( resid 55 and name HD1 )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 902 weight 1.1 volume 39.07830 ppm1 7.57100 ppm2 2.38600
ASSI ( resid 55 and name HD1 )
     ( resid 53 and name HG1 )
     6.0 0.1 0.1 peak 903 weight 1.1 volume 87.89920 ppm1 7.57000 ppm2 2.44800
ASSI ( attr store1 < 7.541 and attr store1 > 7.501 )
     ( attr store1 < 2.49 and attr store1 > 2.41 )
     6.0 0.1 0.1 peak 904 volume 243.15730 ppm1 7.52100 ppm2 2.45000
ASSI ( attr store1 < 7.526 and attr store1 > 7.486 )
     ( attr store1 < 2.76 and attr store1 > 2.68 )
     6.0 0.1 0.1 peak 905 volume 271.87881 ppm1 7.50600 ppm2 2.72000
ASSI ( resid 34 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 906 weight 1.1 volume 122.07470 ppm1 7.25658 ppm2 2.57279
ASSI ( resid 19 and name HE2 )
     ( resid 18 and name HE1 )
     6.0 0.1 0.1 peak 907 weight 1.1 volume 116.12020 ppm1 7.33600 ppm2 2.72800
  OR ( resid 19 and name HE2 )
     ( resid 3 and name HB1 )
  OR ( resid 19 and name HE2 )
     ( resid 18 and name HE2 )
  OR ( resid 19 and name HE1 )
     ( resid 18 and name HE1 )
  OR ( resid 19 and name HE1 )
     ( resid 3 and name HB1 )
  OR ( resid 19 and name HE1 )
     ( resid 18 and name HE2 )
  OR ( resid 4 and name HE1 )
     ( resid 18 and name HE1 )
  OR ( resid 4 and name HE1 )
     ( resid 3 and name HB1 )
  OR ( resid 4 and name HE1 )
     ( resid 18 and name HE2 )
  OR ( resid 4 and name HE2 )
     ( resid 18 and name HE1 )
  OR ( resid 4 and name HE2 )
     ( resid 3 and name HB1 )
  OR ( resid 4 and name HE2 )
     ( resid 18 and name HE2 )
ASSI ( attr store1 < 7.32082 and attr store1 > 7.28082 )
     ( attr store1 < 2.77166 and attr store1 > 2.69166 )
     6.0 0.1 0.1 peak 908 volume 49.73860 ppm1 7.30082 ppm2 2.73166
ASSI ( attr store1 < 7.28 and attr store1 > 7.24 )
     ( attr store1 < 2.767 and attr store1 > 2.687 )
     6.0 0.1 0.1 peak 909 volume 523.22040 ppm1 7.26000 ppm2 2.72700
ASSI ( resid 59 and name HN )
     ( resid 56 and name HA )
     6.0 0.1 0.1 peak 910 weight 1.1 volume 253.70290 ppm1 7.50394 ppm2 2.88913
  OR ( resid 59 and name HN )
     ( resid 60 and name HA )
  OR ( resid 57 and name HN )
     ( resid 56 and name HA )
  OR ( resid 57 and name HN )
     ( resid 60 and name HA )
ASSI ( resid 29 and name HD22 )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 911 weight 1.1 volume 215.47900 ppm1 7.53900 ppm2 2.90100
ASSI ( resid 55 and name HD1 )
     ( resid 56 and name HA )
     6.0 0.1 0.1 peak 912 weight 1.1 volume 22.06670 ppm1 7.57000 ppm2 2.88500
ASSI ( resid 29 and name HD22 )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 913 weight 1.1 volume 190.86450 ppm1 7.53800 ppm2 3.02500
ASSI ( resid 39 and name HD1 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 914 weight 1.1 volume 298.36511 ppm1 7.13900 ppm2 2.63100
  OR ( resid 39 and name HD2 )
     ( resid 23 and name HB2 )
ASSI ( resid 23 and name HE2 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 915 weight 1.1 volume 140.31670 ppm1 7.09670 ppm2 2.62574
  OR ( resid 23 and name HE1 )
     ( resid 23 and name HB2 )
ASSI ( attr store1 < 7.202 and attr store1 > 7.162 )
     ( attr store1 < 2.757 and attr store1 > 2.677 )
     6.0 0.1 0.1 peak 916 volume 181.32860 ppm1 7.18200 ppm2 2.71700
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 917 weight 1.1 volume 423.35831 ppm1 7.14400 ppm2 2.73400
  OR ( resid 35 and name HD22 )
     ( resid 35 and name HB1 )
  OR ( resid 35 and name HD22 )
     ( resid 69 and name HB1 )
  OR ( resid 69 and name HD22 )
     ( resid 35 and name HB2 )
  OR ( resid 69 and name HD22 )
     ( resid 35 and name HB1 )
  OR ( resid 69 and name HD22 )
     ( resid 69 and name HB1 )
ASSI ( resid 39 and name HD2 )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 918 weight 1.1 volume 557.31873 ppm1 7.14300 ppm2 2.78900
  OR ( resid 39 and name HD2 )
     ( resid 69 and name HB2 )
  OR ( resid 39 and name HD2 )
     ( resid 10 and name HB2 )
  OR ( resid 39 and name HD1 )
     ( resid 39 and name HB2 )
  OR ( resid 39 and name HD1 )
     ( resid 69 and name HB2 )
  OR ( resid 39 and name HD1 )
     ( resid 10 and name HB2 )
  OR ( resid 69 and name HD22 )
     ( resid 39 and name HB2 )
  OR ( resid 69 and name HD22 )
     ( resid 69 and name HB2 )
  OR ( resid 69 and name HD22 )
     ( resid 10 and name HB2 )
  OR ( resid 10 and name HE1 )
     ( resid 39 and name HB2 )
  OR ( resid 10 and name HE1 )
     ( resid 69 and name HB2 )
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HB2 )
  OR ( resid 10 and name HE2 )
     ( resid 39 and name HB2 )
  OR ( resid 10 and name HE2 )
     ( resid 69 and name HB2 )
  OR ( resid 10 and name HE2 )
     ( resid 10 and name HB2 )
ASSI ( resid 26 and name HE22 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 919 weight 1.1 volume 272.79410 ppm1 7.10200 ppm2 2.71300
  OR ( resid 26 and name HE22 )
     ( resid 6 and name HB2 )
ASSI ( resid 53 and name HE22 )
     ( resid 50 and name HB2 )
     6.0 0.1 0.1 peak 920 weight 1.1 volume 206.42641 ppm1 7.03700 ppm2 2.73700
ASSI ( resid 9 and name HN )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 921 weight 1.1 volume 234.29010 ppm1 7.26300 ppm2 2.85100
  OR ( resid 4 and name HZ )
     ( resid 7 and name HB1 )
ASSI ( resid 55 and name HE3 )
     ( resid 56 and name HA )
     6.0 0.1 0.1 peak 922 weight 1.1 volume 178.81390 ppm1 7.35200 ppm2 2.88300
ASSI ( resid 19 and name HE1 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 923 weight 1.1 volume 176.58150 ppm1 7.33600 ppm2 2.95200
  OR ( resid 19 and name HE2 )
     ( resid 16 and name HB1 )
ASSI ( resid 23 and name HZ )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 924 weight 1.1 volume 166.33400 ppm1 7.25600 ppm2 2.92700
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 925 weight 1.1 volume 266.40549 ppm1 7.21700 ppm2 2.94000
ASSI ( attr store1 < 7.203 and attr store1 > 7.163 )
     ( attr store1 < 2.916 and attr store1 > 2.836 )
     6.0 0.1 0.1 peak 926 volume 25.30890 ppm1 7.18300 ppm2 2.87600
ASSI ( resid 39 and name HD2 )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 927 weight 1.1 volume 421.70370 ppm1 7.13900 ppm2 2.93600
  OR ( resid 39 and name HD2 )
     ( resid 52 and name HE2 )
  OR ( resid 39 and name HD2 )
     ( resid 16 and name HB1 )
  OR ( resid 39 and name HD2 )
     ( resid 60 and name HA )
  OR ( resid 39 and name HD2 )
     ( resid 52 and name HE1 )
  OR ( resid 39 and name HD1 )
     ( resid 23 and name HB1 )
  OR ( resid 39 and name HD1 )
     ( resid 52 and name HE2 )
  OR ( resid 39 and name HD1 )
     ( resid 16 and name HB1 )
  OR ( resid 39 and name HD1 )
     ( resid 60 and name HA )
  OR ( resid 39 and name HD1 )
     ( resid 52 and name HE1 )
  OR ( resid 35 and name HD22 )
     ( resid 23 and name HB1 )
  OR ( resid 35 and name HD22 )
     ( resid 52 and name HE2 )
  OR ( resid 35 and name HD22 )
     ( resid 16 and name HB1 )
  OR ( resid 35 and name HD22 )
     ( resid 60 and name HA )
  OR ( resid 35 and name HD22 )
     ( resid 52 and name HE1 )
  OR ( resid 69 and name HD22 )
     ( resid 23 and name HB1 )
  OR ( resid 69 and name HD22 )
     ( resid 52 and name HE2 )
  OR ( resid 69 and name HD22 )
     ( resid 16 and name HB1 )
  OR ( resid 69 and name HD22 )
     ( resid 60 and name HA )
  OR ( resid 69 and name HD22 )
     ( resid 52 and name HE1 )
ASSI ( resid 23 and name HE2 )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 928 weight 1.1 volume 297.55081 ppm1 7.10200 ppm2 2.92600
  OR ( resid 23 and name HE2 )
     ( resid 60 and name HA )
  OR ( resid 23 and name HE1 )
     ( resid 23 and name HB1 )
  OR ( resid 23 and name HE1 )
     ( resid 60 and name HA )
ASSI ( attr store1 < 7.152 and attr store1 > 7.112 )
     ( attr store1 < 2.926 and attr store1 > 2.846 )
     6.0 0.1 0.1 peak 929 volume 336.56940 ppm1 7.13200 ppm2 2.88600
ASSI ( resid 4 and name HD1 )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 930 weight 1.1 volume 419.39929 ppm1 7.18200 ppm2 2.96400
  OR ( resid 4 and name HD2 )
     ( resid 4 and name HB1 )
ASSI ( resid 39 and name HD2 )
     ( resid 39 and name HB1 )
     6.0 0.1 0.1 peak 931 weight 1.1 volume 439.19089 ppm1 7.13900 ppm2 3.01600
  OR ( resid 39 and name HD1 )
     ( resid 39 and name HB1 )
ASSI ( resid 4 and name HD1 )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 932 weight 1.1 volume 449.23389 ppm1 7.18200 ppm2 3.07700
  OR ( resid 4 and name HD2 )
     ( resid 4 and name HB2 )
ASSI ( resid 61 and name HE )
     ( resid 61 and name HD1 )
     6.0 0.1 0.1 peak 933 weight 1.1 volume 365.94739 ppm1 7.21800 ppm2 3.13400
  OR ( resid 61 and name HE )
     ( resid 61 and name HD2 )
ASSI ( resid 19 and name HD1 )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 934 weight 1.1 volume 385.19781 ppm1 7.29400 ppm2 3.04400
  OR ( resid 19 and name HD2 )
     ( resid 19 and name HB1 )
ASSI ( resid 19 and name HD1 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 935 weight 1.1 volume 196.03011 ppm1 7.29900 ppm2 2.93400
  OR ( resid 19 and name HD2 )
     ( resid 16 and name HB1 )
ASSI ( resid 4 and name HE2 )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 936 weight 1.1 volume 204.37010 ppm1 7.33200 ppm2 3.05400
  OR ( resid 4 and name HE2 )
     ( resid 19 and name HB1 )
  OR ( resid 4 and name HE1 )
     ( resid 4 and name HB2 )
  OR ( resid 4 and name HE1 )
     ( resid 19 and name HB1 )
  OR ( resid 19 and name HE2 )
     ( resid 4 and name HB2 )
  OR ( resid 19 and name HE2 )
     ( resid 19 and name HB1 )
  OR ( resid 19 and name HE1 )
     ( resid 4 and name HB2 )
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HB1 )
ASSI ( resid 55 and name HE3 )
     ( resid 55 and name HB2 )
     6.0 0.1 0.1 peak 937 weight 1.1 volume 332.52350 ppm1 7.35500 ppm2 3.16200
  OR ( resid 55 and name HE3 )
     ( resid 58 and name HB1 )
  OR ( resid 55 and name HE3 )
     ( resid 58 and name HB2 )
ASSI ( resid 58 and name HD2 )
     ( resid 58 and name HB2 )
     6.0 0.1 0.1 peak 938 weight 1.1 volume 1326.07593 ppm1 7.10000 ppm2 3.16700
  OR ( resid 58 and name HD2 )
     ( resid 58 and name HB1 )
  OR ( resid 58 and name HD1 )
     ( resid 58 and name HB2 )
  OR ( resid 58 and name HD1 )
     ( resid 58 and name HB1 )
ASSI ( resid 19 and name HE1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 939 weight 1.1 volume 91.68300 ppm1 7.33600 ppm2 3.25300
  OR ( resid 19 and name HE2 )
     ( resid 16 and name HB2 )
ASSI ( resid 19 and name HD2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 940 weight 1.1 volume 163.62131 ppm1 7.29900 ppm2 3.25300
  OR ( resid 19 and name HD1 )
     ( resid 16 and name HB2 )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HA1 )
     6.0 0.1 0.1 peak 941 weight 1.1 volume 398.04480 ppm1 7.25900 ppm2 3.24700
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 942 weight 1.1 volume 162.40581 ppm1 7.21700 ppm2 3.25300
ASSI ( resid 55 and name HD1 )
     ( resid 55 and name HB2 )
     6.0 0.1 0.1 peak 943 weight 1.1 volume 421.14249 ppm1 7.57300 ppm2 3.15900
ASSI ( resid 59 and name HN )
     ( resid 58 and name HB1 )
     6.0 0.1 0.1 peak 944 weight 1.1 volume 607.73242 ppm1 7.50900 ppm2 3.15900
  OR ( resid 59 and name HN )
     ( resid 58 and name HB2 )
  OR ( resid 57 and name HN )
     ( resid 58 and name HB1 )
  OR ( resid 57 and name HN )
     ( resid 58 and name HB2 )
ASSI ( resid 25 and name HE )
     ( resid 25 and name HD1 )
     6.0 0.1 0.1 peak 945 weight 1.1 volume 755.68402 ppm1 7.43400 ppm2 3.20800
  OR ( resid 25 and name HE )
     ( resid 25 and name HD2 )
ASSI ( resid 34 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 946 weight 1.1 volume 136.94749 ppm1 7.25900 ppm2 3.39200
ASSI ( resid 58 and name HD1 )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 947 weight 1.1 volume 180.16319 ppm1 7.10000 ppm2 3.43900
  OR ( resid 58 and name HD2 )
     ( resid 59 and name HA )
ASSI ( resid 50 and name HD21 )
     ( resid 48 and name HB1 )
     6.0 0.1 0.1 peak 948 weight 1.1 volume 430.24509 ppm1 6.86800 ppm2 3.50600
  OR ( resid 50 and name HD21 )
     ( resid 51 and name HD2 )
  OR ( resid 10 and name HD2 )
     ( resid 48 and name HB1 )
  OR ( resid 10 and name HD2 )
     ( resid 51 and name HD2 )
ASSI ( resid 40 and name HD2 )
     ( resid 46 and name HB2 )
     6.0 0.1 0.1 peak 949 weight 1.1 volume 9.76990 ppm1 6.90300 ppm2 3.57200
ASSI ( attr store1 < 7.121 and attr store1 > 7.081 )
     ( attr store1 < 3.621 and attr store1 > 3.541 )
     6.0 0.1 0.1 peak 950 volume 45.06620 ppm1 7.10100 ppm2 3.58100
ASSI ( attr store1 < 7.282 and attr store1 > 7.242 )
     ( attr store1 < 3.55 and attr store1 > 3.47 )
     6.0 0.1 0.1 peak 951 volume 22.03200 ppm1 7.26200 ppm2 3.51000
ASSI ( resid 19 and name HD1 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 952 weight 1.1 volume 402.66010 ppm1 7.29600 ppm2 3.58400
  OR ( resid 19 and name HD2 )
     ( resid 19 and name HB2 )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HA2 )
     6.0 0.1 0.1 peak 953 weight 1.1 volume 345.39600 ppm1 7.26300 ppm2 3.62600
ASSI ( resid 55 and name HE3 )
     ( resid 55 and name HB1 )
     6.0 0.1 0.1 peak 954 weight 1.1 volume 392.92160 ppm1 7.35000 ppm2 3.55800
ASSI ( resid 55 and name HE3 )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 955 weight 1.1 volume 24.45340 ppm1 7.35300 ppm2 3.44300
ASSI ( resid 59 and name HN )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 956 weight 1.1 volume 245.14360 ppm1 7.50700 ppm2 3.44300
ASSI ( resid 52 and name HN )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 957 weight 1.1 volume 111.83650 ppm1 7.48800 ppm2 3.50400
ASSI ( resid 57 and name HN )
     ( resid 57 and name HA )
     6.0 0.1 0.1 peak 958 weight 1.1 volume 326.55679 ppm1 7.51600 ppm2 3.58800
ASSI ( resid 55 and name HD1 )
     ( resid 54 and name HB )
     6.0 0.1 0.1 peak 959 weight 1.1 volume 41.42490 ppm1 7.57200 ppm2 3.62500
ASSI ( resid 55 and name HD1 )
     ( resid 55 and name HB1 )
     6.0 0.1 0.1 peak 960 weight 1.1 volume 276.62640 ppm1 7.57100 ppm2 3.56100
ASSI ( resid 52 and name HN )
     ( resid 51 and name HA )
     6.0 0.1 0.1 peak 961 weight 1.1 volume 141.14920 ppm1 7.49000 ppm2 3.83700
ASSI ( resid 52 and name HN )
     ( resid 52 and name HA )
     6.0 0.1 0.1 peak 962 weight 1.1 volume 335.55231 ppm1 7.48900 ppm2 3.95600
ASSI ( resid 34 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 963 weight 1.1 volume 105.51430 ppm1 7.25700 ppm2 3.85400
ASSI ( resid 16 and name HD2 )
     ( resid 17 and name HD2 )
     6.0 0.1 0.1 peak 964 weight 1.1 volume 87.10400 ppm1 7.21700 ppm2 3.85300
  OR ( resid 16 and name HD2 )
     ( resid 17 and name HD1 )
ASSI ( resid 53 and name HN )
     ( resid 51 and name HA )
     6.0 0.1 0.1 peak 965 weight 1.1 volume 54.95250 ppm1 7.15000 ppm2 3.83800
ASSI ( attr store1 < 7.121 and attr store1 > 7.081 )
     ( attr store1 < 3.904 and attr store1 > 3.824 )
     6.0 0.1 0.1 peak 966 volume 42.41370 ppm1 7.10100 ppm2 3.86400
ASSI ( resid 23 and name HZ )
     ( resid 64 and name HB2 )
     6.0 0.1 0.1 peak 967 weight 1.1 volume 63.93050 ppm1 7.25300 ppm2 4.02200
  OR ( resid 23 and name HZ )
     ( resid 64 and name HB1 )
ASSI ( attr store1 < 7.509 and attr store1 > 7.469 )
     ( attr store1 < 4.075 and attr store1 > 3.995 )
     6.0 0.1 0.1 peak 968 volume 40.19680 ppm1 7.48900 ppm2 4.03500
ASSI ( resid 59 and name HN )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 969 weight 1.1 volume 148.11020 ppm1 7.50900 ppm2 4.14700
ASSI ( resid 61 and name HE )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 970 weight 1.1 volume 25.07670 ppm1 7.21600 ppm2 4.14200
ASSI ( resid 42 and name HZ1 )
     ( resid 42 and name HA )
     6.0 0.1 0.1 peak 971 weight 1.1 volume 31.78930 ppm1 7.30200 ppm2 4.07800
  OR ( resid 42 and name HZ1 )
     ( resid 18 and name HA )
  OR ( resid 19 and name HD1 )
     ( resid 42 and name HA )
  OR ( resid 19 and name HD1 )
     ( resid 18 and name HA )
ASSI ( resid 45 and name HN )
     ( resid 44 and name HA )
     6.0 0.1 0.1 peak 972 weight 1.1 volume 519.06561 ppm1 7.15900 ppm2 3.95700
  OR ( resid 45 and name HN )
     ( resid 52 and name HA )
  OR ( resid 53 and name HN )
     ( resid 44 and name HA )
  OR ( resid 53 and name HN )
     ( resid 52 and name HA )
ASSI ( resid 23 and name HE2 )
     ( resid 64 and name HB2 )
     6.0 0.1 0.1 peak 973 weight 1.1 volume 107.70080 ppm1 7.10500 ppm2 4.01600
  OR ( resid 23 and name HE2 )
     ( resid 64 and name HB1 )
  OR ( resid 23 and name HE1 )
     ( resid 64 and name HB2 )
  OR ( resid 23 and name HE1 )
     ( resid 64 and name HB1 )
ASSI ( resid 58 and name HD1 )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 974 weight 1.1 volume 505.47659 ppm1 7.09900 ppm2 4.14000
  OR ( resid 58 and name HD2 )
     ( resid 58 and name HA )
ASSI ( resid 57 and name HN )
     ( resid 53 and name HA )
     6.0 0.1 0.1 peak 975 weight 1.1 volume 86.49000 ppm1 7.51900 ppm2 4.24300
ASSI ( resid 55 and name HD1 )
     ( resid 54 and name HA )
     6.0 0.1 0.1 peak 976 weight 1.1 volume 100.29830 ppm1 7.57200 ppm2 4.23900
ASSI ( resid 55 and name HD1 )
     ( resid 54 and name HA )
     6.0 0.1 0.1 peak 977 weight 1.1 volume 56.05500 ppm1 7.57100 ppm2 4.28900
ASSI ( resid 55 and name HE3 )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 978 weight 1.1 volume 49.81930 ppm1 7.34400 ppm2 4.25900
ASSI ( attr store1 < 7.323 and attr store1 > 7.283 )
     ( attr store1 < 4.298 and attr store1 > 4.218 )
     6.0 0.1 0.1 peak 979 volume 50.01340 ppm1 7.30300 ppm2 4.25800
ASSI ( resid 9 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 980 weight 1.1 volume 250.21780 ppm1 7.26300 ppm2 4.28600
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 981 weight 1.1 volume 97.15860 ppm1 7.21700 ppm2 4.25900
  OR ( resid 16 and name HD2 )
     ( resid 70 and name HA )
ASSI ( resid 53 and name HN )
     ( resid 53 and name HA )
     6.0 0.1 0.1 peak 982 weight 1.1 volume 292.71939 ppm1 7.15600 ppm2 4.24200
ASSI ( resid 23 and name HE1 )
     ( resid 63 and name HA )
     6.0 0.1 0.1 peak 983 weight 1.1 volume 128.26019 ppm1 7.09900 ppm2 4.27300
  OR ( resid 23 and name HE2 )
     ( resid 63 and name HA )
ASSI ( resid 4 and name HZ )
     ( resid 6 and name HA )
     6.0 0.1 0.1 peak 984 weight 1.1 volume 45.67770 ppm1 7.25900 ppm2 4.40600
ASSI ( attr store1 < 7.165 and attr store1 > 7.125 )
     ( attr store1 < 4.401 and attr store1 > 4.321 )
     6.0 0.1 0.1 peak 985 volume 50.78640 ppm1 7.14500 ppm2 4.36100
ASSI ( resid 23 and name HE2 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 986 weight 1.1 volume 117.75800 ppm1 7.10200 ppm2 4.35700
  OR ( resid 23 and name HE1 )
     ( resid 24 and name HA )
ASSI ( resid 26 and name HE22 )
     ( resid 6 and name HA )
     6.0 0.1 0.1 peak 987 weight 1.1 volume 112.76420 ppm1 7.10200 ppm2 4.40300
ASSI ( resid 58 and name HD1 )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 988 weight 1.1 volume 136.99780 ppm1 7.10100 ppm2 4.46200
  OR ( resid 58 and name HD2 )
     ( resid 55 and name HA )
ASSI ( attr store1 < 7.203 and attr store1 > 7.163 )
     ( attr store1 < 4.448 and attr store1 > 4.368 )
     6.0 0.1 0.1 peak 989 volume 77.20300 ppm1 7.18300 ppm2 4.40800
ASSI ( resid 55 and name HD1 )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 990 weight 1.1 volume 147.57310 ppm1 7.57100 ppm2 4.46200
ASSI ( resid 59 and name HN )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 991 weight 1.1 volume 102.31670 ppm1 7.51300 ppm2 4.46200
  OR ( resid 57 and name HN )
     ( resid 55 and name HA )
ASSI ( resid 29 and name HD22 )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 992 weight 1.1 volume 40.04770 ppm1 7.53800 ppm2 4.55500
ASSI ( resid 55 and name HE3 )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 993 weight 1.1 volume 177.28090 ppm1 7.35300 ppm2 4.46300
ASSI ( attr store1 < 7.358 and attr store1 > 7.318 )
     ( attr store1 < 4.547 and attr store1 > 4.467 )
     6.0 0.1 0.1 peak 994 volume 47.18400 ppm1 7.33800 ppm2 4.50700
ASSI ( resid 4 and name HE2 )
     ( resid 6 and name HA )
     6.0 0.1 0.1 peak 995 weight 1.1 volume 46.01880 ppm1 7.33800 ppm2 4.40400
  OR ( resid 4 and name HE1 )
     ( resid 6 and name HA )
ASSI ( resid 4 and name HD1 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 996 weight 1.1 volume 243.35229 ppm1 7.18200 ppm2 4.51000
  OR ( resid 4 and name HD2 )
     ( resid 4 and name HA )
ASSI ( resid 4 and name HE1 )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 997 weight 1.1 volume 60.52320 ppm1 7.33400 ppm2 4.63100
  OR ( resid 4 and name HE2 )
     ( resid 26 and name HA )
ASSI ( resid 9 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 998 weight 1.1 volume 347.10910 ppm1 7.26100 ppm2 4.56300
ASSI ( resid 34 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 999 weight 1.1 volume 338.39151 ppm1 7.25600 ppm2 4.63200
ASSI ( resid 34 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 1000 weight 1.1 volume 316.91809 ppm1 7.25400 ppm2 4.69500
ASSI ( resid 19 and name HD1 )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 1001 weight 1.1 volume 479.73141 ppm1 7.29700 ppm2 4.71700
  OR ( resid 19 and name HD2 )
     ( resid 19 and name HA )
ASSI ( resid 19 and name HE2 )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 1002 weight 1.1 volume 191.94119 ppm1 7.33400 ppm2 4.71700
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HA )
ASSI ( resid 39 and name HD1 )
     ( resid 38 and name HA )
     6.0 0.1 0.1 peak 1003 weight 1.1 volume 77.81050 ppm1 7.14200 ppm2 4.68800
  OR ( resid 39 and name HD1 )
     ( resid 34 and name HA )
  OR ( resid 35 and name HD22 )
     ( resid 38 and name HA )
  OR ( resid 35 and name HD22 )
     ( resid 34 and name HA )
ASSI ( resid 23 and name HE2 )
     ( resid 64 and name HA )
     6.0 0.1 0.1 peak 1004 weight 1.1 volume 189.77470 ppm1 7.10500 ppm2 4.56100
  OR ( resid 23 and name HE2 )
     ( resid 7 and name HA )
  OR ( resid 26 and name HE22 )
     ( resid 64 and name HA )
  OR ( resid 26 and name HE22 )
     ( resid 7 and name HA )
ASSI ( resid 23 and name HE2 )
     ( resid 25 and name HA )
     6.0 0.1 0.1 peak 1005 weight 1.1 volume 74.41750 ppm1 7.10500 ppm2 4.66100
ASSI ( resid 45 and name HN )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 1006 weight 1.1 volume 475.13370 ppm1 7.16400 ppm2 4.64000
ASSI ( attr store1 < 7.319 and attr store1 > 7.279 )
     ( attr store1 < 4.925 and attr store1 > 4.845 )
     6.0 0.1 0.1 peak 1007 volume 24.93970 ppm1 7.29900 ppm2 4.88500
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 1008 weight 1.1 volume 83.44000 ppm1 7.21500 ppm2 4.89400
ASSI ( resid 34 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 1009 weight 1.1 volume 124.51050 ppm1 7.25700 ppm2 4.98200
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 1010 weight 1.1 volume 62.19040 ppm1 7.60500 ppm2 5.19800
ASSI ( resid 39 and name HD1 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 1011 weight 1.1 volume 749.36938 ppm1 7.13900 ppm2 5.09500
  OR ( resid 39 and name HD2 )
     ( resid 39 and name HA )
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 1012 weight 1.1 volume 27.09520 ppm1 7.14100 ppm2 5.19700
ASSI ( resid 55 and name HZ2 )
     ( resid 12 and name HA )
     6.0 0.1 0.1 peak 1013 weight 1.1 volume 80.14580 ppm1 7.52700 ppm2 4.90900
ASSI ( resid 55 and name HZ2 )
     ( resid 49 and name HA )
     6.0 0.1 0.1 peak 1014 weight 1.1 volume 50.21930 ppm1 7.52700 ppm2 5.05300
ASSI ( resid 55 and name HZ2 )
     ( resid 15 and name HN )
     6.0 0.1 0.1 peak 1015 weight 1.1 volume 30.98060 ppm1 7.52600 ppm2 5.51700
ASSI ( resid 55 and name HD1 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1016 weight 1.1 volume 111.53950 ppm1 7.57200 ppm2 5.78000
ASSI ( resid 57 and name HN )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1017 weight 1.1 volume 339.56769 ppm1 7.51500 ppm2 5.77900
ASSI ( resid 55 and name HE3 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1018 weight 1.1 volume 39.03050 ppm1 7.35700 ppm2 5.77700
ASSI ( resid 53 and name HN )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1019 weight 1.1 volume 83.11210 ppm1 7.15500 ppm2 5.77800
ASSI ( resid 39 and name HD2 )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 1020 weight 1.1 volume 217.64149 ppm1 7.14000 ppm2 5.91200
  OR ( resid 39 and name HD1 )
     ( resid 23 and name HA )
ASSI ( resid 23 and name HE1 )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 1021 weight 1.1 volume 43.57210 ppm1 7.10100 ppm2 5.91100
  OR ( resid 23 and name HE2 )
     ( resid 23 and name HA )
ASSI ( resid 55 and name HZ2 )
     ( resid 55 and name HZ3 )
     6.0 0.1 0.1 peak 1022 weight 1.1 volume 146.47910 ppm1 7.52900 ppm2 6.51700
ASSI ( resid 55 and name HE3 )
     ( resid 55 and name HZ3 )
     6.0 0.1 0.1 peak 1023 weight 1.1 volume 653.59137 ppm1 7.35400 ppm2 6.51800
ASSI ( resid 39 and name HD1 )
     ( resid 55 and name HZ3 )
     6.0 0.1 0.1 peak 1024 weight 1.1 volume 108.94830 ppm1 7.13400 ppm2 6.51900
  OR ( resid 39 and name HD2 )
     ( resid 55 and name HZ3 )
ASSI ( resid 55 and name HE3 )
     ( resid 39 and name HE2 )
     6.0 0.1 0.1 peak 1025 weight 1.1 volume 54.94770 ppm1 7.35500 ppm2 6.74700
  OR ( resid 55 and name HE3 )
     ( resid 39 and name HE1 )
ASSI ( resid 55 and name HE3 )
     ( resid 55 and name HH2 )
     6.0 0.1 0.1 peak 1026 weight 1.1 volume 116.60950 ppm1 7.35500 ppm2 6.87600
ASSI ( resid 39 and name HD1 )
     ( resid 39 and name HE1 )
     6.0 0.1 0.1 peak 1027 weight 1.1 volume 1715.82898 ppm1 7.14200 ppm2 6.74900
  OR ( resid 39 and name HD1 )
     ( resid 39 and name HE2 )
  OR ( resid 39 and name HD2 )
     ( resid 39 and name HE1 )
  OR ( resid 39 and name HD2 )
     ( resid 39 and name HE2 )
ASSI ( resid 26 and name HE22 )
     ( resid 26 and name HE21 )
     6.0 0.1 0.1 peak 1028 weight 1.1 volume 2066.34912 ppm1 7.10000 ppm2 6.84800
  OR ( resid 26 and name HE22 )
     ( resid 23 and name HD1 )
  OR ( resid 26 and name HE22 )
     ( resid 23 and name HD2 )
  OR ( resid 23 and name HE1 )
     ( resid 26 and name HE21 )
  OR ( resid 23 and name HE1 )
     ( resid 23 and name HD1 )
  OR ( resid 23 and name HE1 )
     ( resid 23 and name HD2 )
  OR ( resid 23 and name HE2 )
     ( resid 26 and name HE21 )
  OR ( resid 23 and name HE2 )
     ( resid 23 and name HD1 )
  OR ( resid 23 and name HE2 )
     ( resid 23 and name HD2 )
ASSI ( resid 58 and name HD1 )
     ( resid 58 and name HE1 )
     6.0 0.1 0.1 peak 1029 weight 1.1 volume 2377.74316 ppm1 7.09300 ppm2 6.74300
  OR ( resid 58 and name HD1 )
     ( resid 58 and name HE2 )
  OR ( resid 58 and name HD2 )
     ( resid 58 and name HE1 )
  OR ( resid 58 and name HD2 )
     ( resid 58 and name HE2 )
ASSI ( resid 23 and name HZ )
     ( resid 23 and name HD1 )
     6.0 0.1 0.1 peak 1030 weight 1.1 volume 424.68921 ppm1 7.25300 ppm2 6.85000
  OR ( resid 23 and name HZ )
     ( resid 23 and name HD2 )
ASSI ( attr store1 < 7.23 and attr store1 > 7.19 )
     ( attr store1 < 6.937 and attr store1 > 6.857 )
     6.0 0.1 0.1 peak 1031 volume 31.90310 ppm1 7.21000 ppm2 6.89700
ASSI ( attr store1 < 7.552 and attr store1 > 7.512 )
     ( attr store1 < 6.917 and attr store1 > 6.837 )
     6.0 0.1 0.1 peak 1032 volume 590.53680 ppm1 7.53200 ppm2 6.87700
ASSI ( resid 29 and name HD22 )
     ( resid 29 and name HD21 )
     6.0 0.1 0.1 peak 1033 weight 1.1 volume 2096.73218 ppm1 7.53800 ppm2 6.78900
ASSI ( resid 55 and name HZ2 )
     ( resid 55 and name HH2 )
     6.0 0.1 0.1 peak 1034 weight 1.1 volume 208.05701 ppm1 7.52700 ppm2 6.74300
ASSI ( resid 25 and name HE )
     ( resid 23 and name HE1 )
     6.0 0.1 0.1 peak 1035 weight 1.1 volume 138.45230 ppm1 7.43400 ppm2 7.10400
  OR ( resid 25 and name HE )
     ( resid 23 and name HE2 )
ASSI ( attr store1 < 7.539 and attr store1 > 7.499 )
     ( attr store1 < 7.083 and attr store1 > 7.003 )
     6.0 0.1 0.1 peak 1036 volume 48.31620 ppm1 7.51900 ppm2 7.04300
ASSI ( resid 52 and name HN )
     ( resid 53 and name HE22 )
     6.0 0.1 0.1 peak 1037 weight 1.1 volume 27.35480 ppm1 7.48200 ppm2 7.03200
ASSI ( resid 59 and name HN )
     ( resid 58 and name HD2 )
     6.0 0.1 0.1 peak 1038 weight 1.1 volume 396.82281 ppm1 7.51200 ppm2 7.10800
  OR ( resid 59 and name HN )
     ( resid 58 and name HD1 )
ASSI ( resid 52 and name HN )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 1039 weight 1.1 volume 547.02478 ppm1 7.48600 ppm2 7.15600
ASSI ( attr store1 < 7.54 and attr store1 > 7.5 )
     ( attr store1 < 7.204 and attr store1 > 7.124 )
     6.0 0.1 0.1 peak 1040 volume 1708.21851 ppm1 7.52000 ppm2 7.16400
ASSI ( attr store1 < 7.594 and attr store1 > 7.554 )
     ( attr store1 < 7.195 and attr store1 > 7.115 )
     6.0 0.1 0.1 peak 1041 volume 291.32129 ppm1 7.57400 ppm2 7.15500
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 1042 weight 1.1 volume 1417.68518 ppm1 7.60600 ppm2 7.14400
ASSI ( resid 53 and name HE22 )
     ( resid 50 and name HD21 )
     6.0 0.1 0.1 peak 1043 weight 1.1 volume 338.97729 ppm1 7.03800 ppm2 6.86500
ASSI ( attr store1 < 7.119 and attr store1 > 7.079 )
     ( attr store1 < 7.03 and attr store1 > 6.95 )
     6.0 0.1 0.1 peak 1044 volume 74.56710 ppm1 7.09900 ppm2 6.99000
ASSI ( resid 4 and name HE2 )
     ( resid 4 and name HD2 )
     6.0 0.1 0.1 peak 1045 weight 1.1 volume 2229.33936 ppm1 7.33500 ppm2 7.18100
  OR ( resid 4 and name HE2 )
     ( resid 4 and name HD1 )
  OR ( resid 4 and name HE1 )
     ( resid 4 and name HD2 )
  OR ( resid 4 and name HE1 )
     ( resid 4 and name HD1 )
ASSI ( resid 23 and name HZ )
     ( resid 23 and name HE1 )
     6.0 0.1 0.1 peak 1046 weight 1.1 volume 2298.12158 ppm1 7.25300 ppm2 7.10500
  OR ( resid 23 and name HZ )
     ( resid 23 and name HE2 )
ASSI ( attr store1 < 7.169 and attr store1 > 7.129 )
     ( attr store1 < 7.081 and attr store1 > 7.001 )
     6.0 0.1 0.1 peak 1047 volume 45.02300 ppm1 7.14900 ppm2 7.04100
ASSI ( resid 4 and name HZ )
     ( resid 4 and name HD2 )
     6.0 0.1 0.1 peak 1048 weight 1.1 volume 902.93488 ppm1 7.25000 ppm2 7.18100
  OR ( resid 4 and name HZ )
     ( resid 4 and name HD1 )
ASSI ( resid 23 and name HE2 )
     ( resid 23 and name HZ )
     6.0 0.1 0.1 peak 1049 weight 1.1 volume 2562.42480 ppm1 7.10600 ppm2 7.25700
  OR ( resid 23 and name HE1 )
     ( resid 23 and name HZ )
ASSI ( resid 4 and name HE1 )
     ( resid 4 and name HZ )
     6.0 0.1 0.1 peak 1050 weight 1.1 volume 5255.25391 ppm1 7.33500 ppm2 7.25900
  OR ( resid 4 and name HE2 )
     ( resid 4 and name HZ )
ASSI ( resid 4 and name HD1 )
     ( resid 4 and name HE1 )
     6.0 0.1 0.1 peak 1051 weight 1.1 volume 2289.21094 ppm1 7.18700 ppm2 7.34300
  OR ( resid 4 and name HD1 )
     ( resid 4 and name HE2 )
  OR ( resid 4 and name HD2 )
     ( resid 4 and name HE1 )
  OR ( resid 4 and name HD2 )
     ( resid 4 and name HE2 )
ASSI ( resid 4 and name HZ )
     ( resid 4 and name HE1 )
     6.0 0.1 0.1 peak 1052 weight 1.1 volume 4773.64404 ppm1 7.26100 ppm2 7.34000
  OR ( resid 4 and name HZ )
     ( resid 4 and name HE2 )
ASSI ( resid 55 and name HD1 )
     ( resid 55 and name HE3 )
     6.0 0.1 0.1 peak 1053 weight 1.1 volume 37.09920 ppm1 7.57100 ppm2 7.34800
ASSI ( resid 55 and name HZ2 )
     ( resid 55 and name HE3 )
     6.0 0.1 0.1 peak 1054 weight 1.1 volume 91.49220 ppm1 7.52400 ppm2 7.34800
ASSI ( resid 53 and name HE21 )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 1055 weight 1.1 volume 89.96510 ppm1 7.70800 ppm2 7.51700
ASSI ( resid 62 and name HN )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 1056 weight 1.1 volume 40.86460 ppm1 7.74500 ppm2 7.51300
ASSI ( resid 61 and name HN )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1057 weight 1.1 volume 502.32401 ppm1 7.86400 ppm2 7.75200
ASSI ( resid 66 and name HN )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 1058 weight 1.1 volume 275.09570 ppm1 8.12100 ppm2 8.02700
ASSI ( resid 60 and name HN )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1059 weight 1.1 volume 57.14490 ppm1 8.26800 ppm2 8.08500
ASSI ( resid 5 and name HN )
     ( resid 4 and name HN )
     6.0 0.1 0.1 peak 1060 weight 1.1 volume 220.28720 ppm1 8.32200 ppm2 8.14400
ASSI ( resid 4 and name HN )
     ( resid 5 and name HN )
     6.0 0.1 0.1 peak 1061 weight 1.1 volume 239.94971 ppm1 8.14600 ppm2 8.32100
ASSI ( resid 58 and name HN )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1062 weight 1.1 volume 108.63310 ppm1 8.08100 ppm2 8.26700
ASSI ( resid 62 and name HN )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 1063 weight 1.1 volume 318.21790 ppm1 7.74900 ppm2 7.86400
ASSI ( resid 65 and name HN )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1064 weight 1.1 volume 418.36111 ppm1 7.67700 ppm2 7.89300
ASSI ( resid 43 and name HN )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 1065 weight 1.1 volume 353.57791 ppm1 7.69900 ppm2 7.97400
ASSI ( resid 32 and name HN )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 1066 weight 1.1 volume 1000.65979 ppm1 7.84000 ppm2 8.19800
  OR ( resid 30 and name HN )
     ( resid 31 and name HN )
ASSI ( resid 65 and name HN )
     ( resid 66 and name HN )
     6.0 0.1 0.1 peak 1067 weight 1.1 volume 286.77310 ppm1 7.67600 ppm2 8.12500
ASSI ( resid 62 and name HN )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 1068 weight 1.1 volume 328.39789 ppm1 7.75100 ppm2 8.27100
  OR ( resid 62 and name HN )
     ( resid 60 and name HN )
ASSI ( resid 65 and name HN )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 1069 weight 1.1 volume 63.19920 ppm1 7.67900 ppm2 8.27100
ASSI ( resid 35 and name HD21 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1070 weight 1.1 volume 26.66790 ppm1 7.60400 ppm2 8.22800
ASSI ( resid 61 and name HN )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1071 weight 1.1 volume 592.97052 ppm1 7.87600 ppm2 8.27100
  OR ( resid 61 and name HN )
     ( resid 63 and name HN )
  OR ( resid 64 and name HN )
     ( resid 60 and name HN )
  OR ( resid 64 and name HN )
     ( resid 63 and name HN )
ASSI ( resid 30 and name HN )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 1072 weight 1.1 volume 479.11679 ppm1 7.83700 ppm2 8.34400
  OR ( resid 30 and name HN )
     ( resid 33 and name HN )
  OR ( resid 32 and name HN )
     ( resid 29 and name HN )
  OR ( resid 32 and name HN )
     ( resid 33 and name HN )
ASSI ( resid 50 and name HD22 )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 1073 weight 1.1 volume 50.72860 ppm1 7.70800 ppm2 8.46000
  OR ( resid 50 and name HD22 )
     ( resid 3 and name HN )
  OR ( resid 3 and name HD21 )
     ( resid 50 and name HN )
  OR ( resid 3 and name HD21 )
     ( resid 3 and name HN )
ASSI ( resid 19 and name HN )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1074 weight 1.1 volume 279.78149 ppm1 7.77100 ppm2 8.55300
ASSI ( resid 20 and name HN )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1075 weight 1.1 volume 51.29830 ppm1 7.71700 ppm2 8.55500
ASSI ( resid 43 and name HN )
     ( resid 42 and name HN )
     6.0 0.1 0.1 peak 1076 weight 1.1 volume 243.22850 ppm1 7.70100 ppm2 8.72500
ASSI ( resid 22 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1077 weight 1.1 volume 487.23459 ppm1 7.76500 ppm2 8.77300
ASSI ( resid 22 and name HN )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 1078 weight 1.1 volume 245.00369 ppm1 7.76500 ppm2 8.72300
ASSI ( resid 22 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1079 weight 1.1 volume 95.32830 ppm1 7.76400 ppm2 8.87000
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 1080 weight 1.1 volume 77.57610 ppm1 7.60600 ppm2 8.86300
ASSI ( resid 55 and name HD1 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1081 weight 1.1 volume 55.22030 ppm1 7.57100 ppm2 8.93000
ASSI ( resid 57 and name HN )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1082 weight 1.1 volume 48.85950 ppm1 7.52000 ppm2 8.92600
ASSI ( resid 55 and name HZ2 )
     ( resid 55 and name HE1 )
     6.0 0.1 0.1 peak 1083 weight 1.1 volume 431.66849 ppm1 7.52200 ppm2 9.89900
ASSI ( resid 55 and name HD1 )
     ( resid 55 and name HE1 )
     6.0 0.1 0.1 peak 1084 weight 1.1 volume 812.23383 ppm1 7.57200 ppm2 9.89800
ASSI ( resid 55 and name HH2 )
     ( resid 55 and name HZ3 )
     6.0 0.1 0.1 peak 1085 weight 1.1 volume 630.98828 ppm1 6.87900 ppm2 6.52000
ASSI ( resid 39 and name HE1 )
     ( resid 55 and name HZ3 )
     6.0 0.1 0.1 peak 1086 weight 1.1 volume 238.17740 ppm1 6.74900 ppm2 6.51700
  OR ( resid 39 and name HE2 )
     ( resid 55 and name HZ3 )
  OR ( resid 58 and name HE1 )
     ( resid 55 and name HZ3 )
  OR ( resid 58 and name HE2 )
     ( resid 55 and name HZ3 )
ASSI ( resid 40 and name HD2 )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 1087 weight 1.1 volume 317.35699 ppm1 6.90300 ppm2 5.91200
ASSI ( resid 23 and name HD1 )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 1088 weight 1.1 volume 210.25481 ppm1 6.84500 ppm2 5.91400
  OR ( resid 23 and name HD2 )
     ( resid 23 and name HA )
ASSI ( attr store1 < 6.77 and attr store1 > 6.73 )
     ( attr store1 < 5.951 and attr store1 > 5.871 )
     6.0 0.1 0.1 peak 1089 volume 51.40860 ppm1 6.75000 ppm2 5.91100
ASSI ( resid 40 and name HD2 )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 1090 weight 1.1 volume 99.65140 ppm1 6.90300 ppm2 5.54900
ASSI ( resid 40 and name HD2 )
     ( resid 46 and name HA )
     6.0 0.1 0.1 peak 1091 weight 1.1 volume 39.94930 ppm1 6.90300 ppm2 5.46600
ASSI ( resid 55 and name HZ3 )
     ( resid 15 and name HN )
     6.0 0.1 0.1 peak 1092 weight 1.1 volume 126.68750 ppm1 6.51700 ppm2 5.52000
ASSI ( resid 40 and name HD2 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 1093 weight 1.1 volume 90.22420 ppm1 6.90300 ppm2 5.09600
ASSI ( resid 23 and name HD1 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 1094 weight 1.1 volume 51.43590 ppm1 6.84200 ppm2 5.09500
  OR ( resid 23 and name HD2 )
     ( resid 39 and name HA )
ASSI ( resid 10 and name HD1 )
     ( resid 49 and name HA )
     6.0 0.1 0.1 peak 1095 weight 1.1 volume 208.35890 ppm1 6.86900 ppm2 5.05500
  OR ( resid 50 and name HD21 )
     ( resid 49 and name HA )
ASSI ( resid 39 and name HE1 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 1096 weight 1.1 volume 141.86800 ppm1 6.74900 ppm2 5.09200
  OR ( resid 39 and name HE2 )
     ( resid 39 and name HA )
ASSI ( resid 10 and name HD1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 1097 weight 1.1 volume 910.47919 ppm1 6.86700 ppm2 4.92100
  OR ( resid 10 and name HD2 )
     ( resid 10 and name HA )
ASSI ( resid 50 and name HD21 )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 1098 weight 1.1 volume 148.82201 ppm1 6.86700 ppm2 4.82200
ASSI ( resid 23 and name HD1 )
     ( resid 25 and name HA )
     6.0 0.1 0.1 peak 1099 weight 1.1 volume 61.17120 ppm1 6.84900 ppm2 4.66300
  OR ( resid 23 and name HD2 )
     ( resid 25 and name HA )
ASSI ( attr store1 < 6.923 and attr store1 > 6.883 )
     ( attr store1 < 4.693 and attr store1 > 4.613 )
     6.0 0.1 0.1 peak 1100 volume 26.85080 ppm1 6.90300 ppm2 4.65300
ASSI ( attr store1 < 6.886 and attr store1 > 6.846 )
     ( attr store1 < 4.726 and attr store1 > 4.646 )
     6.0 0.1 0.1 peak 1101 volume 59.21220 ppm1 6.86600 ppm2 4.68600
ASSI ( attr store1 < 6.876 and attr store1 > 6.836 )
     ( attr store1 < 4.602 and attr store1 > 4.522 )
     6.0 0.1 0.1 peak 1102 volume 42.03030 ppm1 6.85600 ppm2 4.56200
ASSI ( resid 29 and name HD21 )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 1103 weight 1.1 volume 26.49290 ppm1 6.79100 ppm2 4.55800
ASSI ( attr store1 < 6.761 and attr store1 > 6.721 )
     ( attr store1 < 4.501 and attr store1 > 4.421 )
     6.0 0.1 0.1 peak 1104 volume 22.87310 ppm1 6.74100 ppm2 4.46100
ASSI ( resid 10 and name HD1 )
     ( resid 11 and name HA )
     6.0 0.1 0.1 peak 1105 weight 1.1 volume 21.96080 ppm1 6.86700 ppm2 4.50100
ASSI ( attr store1 < 6.887 and attr store1 > 6.847 )
     ( attr store1 < 4.501 and attr store1 > 4.421 )
     6.0 0.1 0.1 peak 1106 volume 35.72360 ppm1 6.86700 ppm2 4.46100
ASSI ( attr store1 < 6.924 and attr store1 > 6.884 )
     ( attr store1 < 4.407 and attr store1 > 4.327 )
     6.0 0.1 0.1 peak 1107 volume 220.90770 ppm1 6.90400 ppm2 4.36700
ASSI ( resid 23 and name HD2 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 1108 weight 1.1 volume 401.30029 ppm1 6.84800 ppm2 4.36200
  OR ( resid 23 and name HD1 )
     ( resid 24 and name HA )
ASSI ( attr store1 < 6.87 and attr store1 > 6.83 )
     ( attr store1 < 4.317 and attr store1 > 4.237 )
     6.0 0.1 0.1 peak 1109 volume 129.53259 ppm1 6.85000 ppm2 4.27700
ASSI ( resid 55 and name HZ3 )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 1110 weight 1.1 volume 32.52380 ppm1 6.51900 ppm2 4.26000
ASSI ( resid 58 and name HE1 )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 1111 weight 1.1 volume 89.45640 ppm1 6.74200 ppm2 4.14100
  OR ( resid 58 and name HE2 )
     ( resid 58 and name HA )
ASSI ( resid 40 and name HD2 )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 1112 weight 1.1 volume 38.24450 ppm1 6.90200 ppm2 4.01800
ASSI ( resid 58 and name HE1 )
     ( resid 17 and name HD2 )
     6.0 0.1 0.1 peak 1113 weight 1.1 volume 62.41550 ppm1 6.74300 ppm2 3.84300
  OR ( resid 58 and name HE1 )
     ( resid 17 and name HD1 )
  OR ( resid 58 and name HE2 )
     ( resid 17 and name HD2 )
  OR ( resid 58 and name HE2 )
     ( resid 17 and name HD1 )
ASSI ( resid 10 and name HD1 )
     ( resid 9 and name HA2 )
     6.0 0.1 0.1 peak 1114 weight 1.1 volume 62.18640 ppm1 6.86700 ppm2 3.62700
ASSI ( resid 58 and name HE1 )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 1115 weight 1.1 volume 60.57440 ppm1 6.74500 ppm2 3.44200
ASSI ( resid 55 and name HZ3 )
     ( resid 55 and name HB1 )
     6.0 0.1 0.1 peak 1116 weight 1.1 volume 17.27300 ppm1 6.51900 ppm2 3.56400
ASSI ( resid 10 and name HD2 )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 1117 weight 1.1 volume 686.71460 ppm1 6.86600 ppm2 3.35800
  OR ( resid 10 and name HD1 )
     ( resid 10 and name HB1 )
ASSI ( resid 40 and name HD2 )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 1118 weight 1.1 volume 193.39120 ppm1 6.90300 ppm2 3.32800
ASSI ( attr store1 < 6.887 and attr store1 > 6.847 )
     ( attr store1 < 3.286 and attr store1 > 3.206 )
     6.0 0.1 0.1 peak 1119 volume 129.07860 ppm1 6.86700 ppm2 3.24600
ASSI ( resid 50 and name HD21 )
     ( resid 50 and name HB1 )
     6.0 0.1 0.1 peak 1120 weight 1.1 volume 630.40057 ppm1 6.86800 ppm2 3.12300
  OR ( resid 50 and name HD21 )
     ( resid 48 and name HB2 )
  OR ( resid 10 and name HD1 )
     ( resid 50 and name HB1 )
  OR ( resid 10 and name HD1 )
     ( resid 48 and name HB2 )
  OR ( resid 10 and name HD2 )
     ( resid 50 and name HB1 )
  OR ( resid 10 and name HD2 )
     ( resid 48 and name HB2 )
ASSI ( resid 58 and name HE2 )
     ( resid 55 and name HB2 )
     6.0 0.1 0.1 peak 1121 weight 1.1 volume 241.55070 ppm1 6.74400 ppm2 3.15900
  OR ( resid 58 and name HE2 )
     ( resid 58 and name HB1 )
  OR ( resid 58 and name HE2 )
     ( resid 58 and name HB2 )
  OR ( resid 58 and name HE1 )
     ( resid 55 and name HB2 )
  OR ( resid 58 and name HE1 )
     ( resid 58 and name HB1 )
  OR ( resid 58 and name HE1 )
     ( resid 58 and name HB2 )
ASSI ( resid 29 and name HD21 )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 1122 weight 1.1 volume 131.66110 ppm1 6.79100 ppm2 3.02200
ASSI ( resid 39 and name HE2 )
     ( resid 39 and name HB1 )
     6.0 0.1 0.1 peak 1123 weight 1.1 volume 103.67860 ppm1 6.74900 ppm2 3.01200
  OR ( resid 39 and name HE1 )
     ( resid 39 and name HB1 )
ASSI ( resid 39 and name HE1 )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 1124 weight 1.1 volume 243.62180 ppm1 6.74900 ppm2 2.93200
  OR ( resid 39 and name HE2 )
     ( resid 60 and name HA )
ASSI ( resid 39 and name HE2 )
     ( resid 56 and name HA )
     6.0 0.1 0.1 peak 1125 weight 1.1 volume 307.74411 ppm1 6.74900 ppm2 2.87500
  OR ( resid 39 and name HE1 )
     ( resid 56 and name HA )
ASSI ( resid 29 and name HD21 )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 1126 weight 1.1 volume 115.49370 ppm1 6.79100 ppm2 2.90400
ASSI ( resid 39 and name HE2 )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 1127 weight 1.1 volume 75.15330 ppm1 6.74900 ppm2 2.79000
  OR ( resid 39 and name HE1 )
     ( resid 39 and name HB2 )
ASSI ( resid 55 and name HZ3 )
     ( resid 56 and name HA )
     6.0 0.1 0.1 peak 1128 weight 1.1 volume 38.65810 ppm1 6.52000 ppm2 2.88300
ASSI ( resid 23 and name HD2 )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 1129 weight 1.1 volume 627.72937 ppm1 6.84800 ppm2 2.93600
  OR ( resid 23 and name HD1 )
     ( resid 23 and name HB1 )
ASSI ( resid 40 and name HD2 )
     ( resid 40 and name HB1 )
     6.0 0.1 0.1 peak 1130 weight 1.1 volume 261.97061 ppm1 6.90300 ppm2 2.86500
ASSI ( resid 10 and name HD1 )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 1131 weight 1.1 volume 930.54822 ppm1 6.86700 ppm2 2.80500
  OR ( resid 10 and name HD1 )
     ( resid 69 and name HB2 )
  OR ( resid 69 and name HD21 )
     ( resid 10 and name HB2 )
  OR ( resid 69 and name HD21 )
     ( resid 69 and name HB2 )
ASSI ( resid 69 and name HD21 )
     ( resid 69 and name HB1 )
     6.0 0.1 0.1 peak 1132 weight 1.1 volume 390.17319 ppm1 6.86500 ppm2 2.73200
  OR ( resid 69 and name HD21 )
     ( resid 50 and name HB2 )
  OR ( resid 69 and name HD21 )
     ( resid 3 and name HB1 )
  OR ( resid 50 and name HD21 )
     ( resid 69 and name HB1 )
  OR ( resid 50 and name HD21 )
     ( resid 50 and name HB2 )
  OR ( resid 50 and name HD21 )
     ( resid 3 and name HB1 )
  OR ( resid 3 and name HD22 )
     ( resid 69 and name HB1 )
  OR ( resid 3 and name HD22 )
     ( resid 50 and name HB2 )
  OR ( resid 3 and name HD22 )
     ( resid 3 and name HB1 )
  OR ( resid 10 and name HD1 )
     ( resid 69 and name HB1 )
  OR ( resid 10 and name HD1 )
     ( resid 50 and name HB2 )
  OR ( resid 10 and name HD1 )
     ( resid 3 and name HB1 )
  OR ( resid 10 and name HD2 )
     ( resid 69 and name HB1 )
  OR ( resid 10 and name HD2 )
     ( resid 50 and name HB2 )
  OR ( resid 10 and name HD2 )
     ( resid 3 and name HB1 )
ASSI ( resid 40 and name HD2 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 1133 weight 1.1 volume 77.17770 ppm1 6.90300 ppm2 2.63200
ASSI ( resid 23 and name HD2 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 1134 weight 1.1 volume 601.10608 ppm1 6.84600 ppm2 2.63100
  OR ( resid 23 and name HD1 )
     ( resid 23 and name HB2 )
ASSI ( resid 39 and name HE1 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 1135 weight 1.1 volume 99.16250 ppm1 6.75000 ppm2 2.63300
  OR ( resid 39 and name HE2 )
     ( resid 23 and name HB2 )
ASSI ( attr store1 < 6.904 and attr store1 > 6.864 )
     ( attr store1 < 2.426 and attr store1 > 2.346 )
     6.0 0.1 0.1 peak 1136 volume 19.66980 ppm1 6.88400 ppm2 2.38600
ASSI ( resid 55 and name HZ3 )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 1137 weight 1.1 volume 45.97560 ppm1 6.51900 ppm2 2.39000
ASSI ( attr store1 < 6.885 and attr store1 > 6.845 )
     ( attr store1 < 2.243 and attr store1 > 2.163 )
     6.0 0.1 0.1 peak 1138 volume 17.30090 ppm1 6.86500 ppm2 2.20300
ASSI ( resid 58 and name HE1 )
     ( resid 59 and name HG12 )
     6.0 0.1 0.1 peak 1139 weight 1.1 volume 152.74139 ppm1 6.74400 ppm2 2.19900
  OR ( resid 58 and name HE2 )
     ( resid 59 and name HG12 )
ASSI ( resid 69 and name HD21 )
     ( resid 70 and name HB1 )
     6.0 0.1 0.1 peak 1140 weight 1.1 volume 18.93460 ppm1 6.86400 ppm2 2.06700
ASSI ( resid 23 and name HD1 )
     ( resid 63 and name HB1 )
     6.0 0.1 0.1 peak 1141 weight 1.1 volume 231.77850 ppm1 6.84600 ppm2 1.94700
  OR ( resid 23 and name HD2 )
     ( resid 63 and name HB1 )
ASSI ( resid 23 and name HD2 )
     ( resid 63 and name HG )
     6.0 0.1 0.1 peak 1142 weight 1.1 volume 281.17520 ppm1 6.85000 ppm2 1.85300
  OR ( resid 23 and name HD1 )
     ( resid 63 and name HG )
ASSI ( resid 26 and name HE21 )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 1143 weight 1.1 volume 292.16779 ppm1 6.86200 ppm2 1.89400
ASSI ( resid 39 and name HE1 )
     ( resid 56 and name HB )
     6.0 0.1 0.1 peak 1144 weight 1.1 volume 90.84120 ppm1 6.74700 ppm2 1.76200
ASSI ( resid 58 and name HE1 )
     ( resid 17 and name HG2 )
     6.0 0.1 0.1 peak 1145 weight 1.1 volume 109.65560 ppm1 6.74400 ppm2 1.91500
  OR ( resid 58 and name HE1 )
     ( resid 17 and name HG1 )
  OR ( resid 58 and name HE2 )
     ( resid 17 and name HG2 )
  OR ( resid 58 and name HE2 )
     ( resid 17 and name HG1 )
ASSI ( resid 39 and name HE2 )
     ( resid 59 and name HB )
     6.0 0.1 0.1 peak 1146 weight 1.1 volume 302.15289 ppm1 6.74900 ppm2 1.83600
  OR ( resid 39 and name HE1 )
     ( resid 59 and name HB )
ASSI ( resid 23 and name HD2 )
     ( resid 25 and name HB1 )
     6.0 0.1 0.1 peak 1147 weight 1.1 volume 268.31369 ppm1 6.84800 ppm2 1.69300
  OR ( resid 23 and name HD1 )
     ( resid 25 and name HB1 )
ASSI ( resid 40 and name HD2 )
     ( resid 38 and name HB )
     6.0 0.1 0.1 peak 1148 weight 1.1 volume 25.34390 ppm1 6.90300 ppm2 1.77300
ASSI ( attr store1 < 6.885 and attr store1 > 6.845 )
     ( attr store1 < 1.743 and attr store1 > 1.663 )
     6.0 0.1 0.1 peak 1149 volume 439.04660 ppm1 6.86500 ppm2 1.70300
ASSI ( resid 55 and name HH2 )
     ( resid 15 and name HG )
     6.0 0.1 0.1 peak 1150 weight 1.1 volume 297.47031 ppm1 6.87000 ppm2 1.57600
  OR ( resid 55 and name HH2 )
     ( resid 13 and name HB1 )
  OR ( resid 55 and name HH2 )
     ( resid 13 and name HB2 )
ASSI ( attr store1 < 6.89 and attr store1 > 6.85 )
     ( attr store1 < 1.568 and attr store1 > 1.488 )
     6.0 0.1 0.1 peak 1151 volume 372.94540 ppm1 6.87000 ppm2 1.52800
ASSI ( resid 58 and name HE2 )
     ( resid 62 and name HB2 )
     6.0 0.1 0.1 peak 1152 weight 1.1 volume 62.14850 ppm1 6.74400 ppm2 1.58100
  OR ( resid 58 and name HE1 )
     ( resid 62 and name HB2 )
ASSI ( attr store1 < 6.764 and attr store1 > 6.724 )
     ( attr store1 < 1.495 and attr store1 > 1.415 )
     6.0 0.1 0.1 peak 1153 volume 36.22450 ppm1 6.74400 ppm2 1.45500
ASSI ( resid 55 and name HZ3 )
     ( resid 15 and name HG )
     6.0 0.1 0.1 peak 1154 weight 1.1 volume 114.87410 ppm1 6.51900 ppm2 1.57500
ASSI ( resid 23 and name HD2 )
     ( resid 25 and name HG1 )
     6.0 0.1 0.1 peak 1155 weight 1.1 volume 113.85550 ppm1 6.84800 ppm2 1.43100
  OR ( resid 23 and name HD2 )
     ( resid 25 and name HG2 )
  OR ( resid 23 and name HD1 )
     ( resid 25 and name HG1 )
  OR ( resid 23 and name HD1 )
     ( resid 25 and name HG2 )
ASSI ( resid 50 and name HD21 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 1156 weight 1.1 volume 1132.97986 ppm1 6.86800 ppm2 1.35500
ASSI ( resid 55 and name HZ3 )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 1157 weight 1.1 volume 208.10060 ppm1 6.51800 ppm2 1.33700
ASSI ( resid 55 and name HZ3 )
     ( resid 15 and name HB1 )
     6.0 0.1 0.1 peak 1158 weight 1.1 volume 211.29330 ppm1 6.51800 ppm2 1.25400
ASSI ( resid 39 and name HE2 )
     ( resid 49 and name HB1 )
     6.0 0.1 0.1 peak 1159 weight 1.1 volume 578.50427 ppm1 6.74800 ppm2 1.23800
  OR ( resid 39 and name HE1 )
     ( resid 49 and name HB1 )
ASSI ( resid 55 and name HH2 )
     ( resid 49 and name HB1 )
     6.0 0.1 0.1 peak 1160 weight 1.1 volume 443.73679 ppm1 6.86900 ppm2 1.24000
  OR ( resid 50 and name HD21 )
     ( resid 49 and name HB1 )
ASSI ( resid 40 and name HD2 )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 1161 weight 1.1 volume 123.65800 ppm1 6.90200 ppm2 1.18100
ASSI ( resid 23 and name HD2 )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 1162 weight 1.1 volume 50.64150 ppm1 6.84700 ppm2 1.18000
  OR ( resid 23 and name HD1 )
     ( resid 24 and name HG21 )
ASSI ( attr store1 < 6.888 and attr store1 > 6.848 )
     ( attr store1 < 1.206 and attr store1 > 1.126 )
     6.0 0.1 0.1 peak 1163 volume 107.02330 ppm1 6.86800 ppm2 1.16600
ASSI ( attr store1 < 6.768 and attr store1 > 6.728 )
     ( attr store1 < 1.202 and attr store1 > 1.122 )
     6.0 0.1 0.1 peak 1164 volume 93.26610 ppm1 6.74800 ppm2 1.16200
ASSI ( resid 39 and name HE1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1165 weight 1.1 volume 149.35870 ppm1 6.74900 ppm2 1.04900
  OR ( resid 39 and name HE2 )
     ( resid 20 and name HG21 )
ASSI ( resid 29 and name HD21 )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 1166 weight 1.1 volume 25.71810 ppm1 6.79100 ppm2 1.08900
ASSI ( resid 23 and name HD1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1167 weight 1.1 volume 104.16540 ppm1 6.85000 ppm2 1.04900
ASSI ( attr store1 < 6.924 and attr store1 > 6.884 )
     ( attr store1 < 1.085 and attr store1 > 1.005 )
     6.0 0.1 0.1 peak 1168 volume 34.36390 ppm1 6.90400 ppm2 1.04500
ASSI ( resid 23 and name HD1 )
     ( resid 63 and name HD21 )
     6.0 0.1 0.1 peak 1169 weight 1.1 volume 484.24451 ppm1 6.84800 ppm2 0.90000
  OR ( resid 23 and name HD2 )
     ( resid 63 and name HD21 )
ASSI ( resid 23 and name HD1 )
     ( resid 63 and name HD11 )
     6.0 0.1 0.1 peak 1170 weight 1.1 volume 329.80661 ppm1 6.85400 ppm2 0.84100
  OR ( resid 23 and name HD2 )
     ( resid 63 and name HD11 )
ASSI ( attr store1 < 6.912 and attr store1 > 6.872 )
     ( attr store1 < 0.902 and attr store1 > 0.822 )
     6.0 0.1 0.1 peak 1171 volume 191.91190 ppm1 6.89200 ppm2 0.86200
ASSI ( attr store1 < 6.81 and attr store1 > 6.77 )
     ( attr store1 < 0.893 and attr store1 > 0.813 )
     6.0 0.1 0.1 peak 1172 volume 44.10040 ppm1 6.79000 ppm2 0.85300
ASSI ( attr store1 < 6.767 and attr store1 > 6.727 )
     ( attr store1 < 0.896 and attr store1 > 0.816 )
     6.0 0.1 0.1 peak 1173 volume 136.40630 ppm1 6.74700 ppm2 0.85600
ASSI ( resid 58 and name HE2 )
     ( resid 59 and name HG11 )
     6.0 0.1 0.1 peak 1174 weight 1.1 volume 296.09500 ppm1 6.74900 ppm2 0.90100
  OR ( resid 58 and name HE1 )
     ( resid 59 and name HG11 )
  OR ( resid 39 and name HE1 )
     ( resid 59 and name HG11 )
  OR ( resid 39 and name HE2 )
     ( resid 59 and name HG11 )
ASSI ( resid 55 and name HZ3 )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 1175 weight 1.1 volume 171.91840 ppm1 6.52000 ppm2 0.86200
ASSI ( resid 55 and name HZ3 )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1176 weight 1.1 volume 490.44891 ppm1 6.51900 ppm2 0.70400
ASSI ( resid 55 and name HZ3 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1177 weight 1.1 volume 56.93810 ppm1 6.51800 ppm2 0.63500
ASSI ( resid 55 and name HZ3 )
     ( resid 14 and name HD11 )
     6.0 0.1 0.1 peak 1178 weight 1.1 volume 16.25250 ppm1 6.52100 ppm2 0.51000
ASSI ( resid 58 and name HE1 )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1179 weight 1.1 volume 682.75537 ppm1 6.74400 ppm2 0.71300
  OR ( resid 58 and name HE2 )
     ( resid 59 and name HD11 )
ASSI ( resid 58 and name HE1 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1180 weight 1.1 volume 499.01709 ppm1 6.74900 ppm2 0.63400
  OR ( resid 58 and name HE2 )
     ( resid 59 and name HG21 )
ASSI ( attr store1 < 6.889 and attr store1 > 6.849 )
     ( attr store1 < 0.738 and attr store1 > 0.658 )
     6.0 0.1 0.1 peak 1181 volume 177.18660 ppm1 6.86900 ppm2 0.69800
ASSI ( attr store1 < 6.923 and attr store1 > 6.883 )
     ( attr store1 < 0.765 and attr store1 > 0.685 )
     6.0 0.1 0.1 peak 1182 volume 69.19010 ppm1 6.90300 ppm2 0.72500
ASSI ( resid 23 and name HD1 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1183 weight 1.1 volume 59.53350 ppm1 6.84600 ppm2 0.63400
  OR ( resid 23 and name HD2 )
     ( resid 59 and name HG21 )
ASSI ( resid 39 and name HE2 )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 1184 weight 1.1 volume 62.06480 ppm1 6.74900 ppm2 0.52600
  OR ( resid 39 and name HE1 )
     ( resid 37 and name HD11 )
ASSI ( resid 23 and name HD1 )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 1185 weight 1.1 volume 336.11050 ppm1 6.84900 ppm2 0.52900
  OR ( resid 23 and name HD2 )
     ( resid 37 and name HD11 )
ASSI ( resid 40 and name HD2 )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 1186 weight 1.1 volume 100.99850 ppm1 6.90200 ppm2 0.52200
ASSI ( resid 23 and name HD1 )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 1187 weight 1.1 volume 167.58110 ppm1 6.85000 ppm2 0.34600
  OR ( resid 23 and name HD2 )
     ( resid 60 and name HG21 )
ASSI ( resid 23 and name HD1 )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 1188 weight 1.1 volume 170.37511 ppm1 6.84800 ppm2 0.28100
  OR ( resid 23 and name HD2 )
     ( resid 60 and name HG11 )
ASSI ( resid 39 and name HE1 )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 1189 weight 1.1 volume 493.65411 ppm1 6.75000 ppm2 0.28100
  OR ( resid 39 and name HE2 )
     ( resid 60 and name HG11 )
ASSI ( resid 55 and name HZ3 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1190 weight 1.1 volume 103.29280 ppm1 6.52000 ppm2 0.35200
ASSI ( resid 10 and name HD2 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 1191 weight 1.1 volume 413.84189 ppm1 6.86700 ppm2 0.17000
  OR ( resid 10 and name HD1 )
     ( resid 34 and name HD11 )
ASSI ( resid 55 and name HZ3 )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 1192 weight 1.1 volume 48.43050 ppm1 6.52000 ppm2 0.06300
ASSI ( resid 23 and name HD2 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1193 weight 1.1 volume 464.11890 ppm1 6.84900 ppm2 -0.38000
  OR ( resid 23 and name HD1 )
     ( resid 37 and name HG21 )
ASSI ( resid 55 and name HH2 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 1194 weight 1.1 volume 140.33710 ppm1 6.86800 ppm2 -0.56000
ASSI ( resid 39 and name HE2 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 1195 weight 1.1 volume 311.64789 ppm1 6.74800 ppm2 -0.56000
  OR ( resid 39 and name HE1 )
     ( resid 56 and name HG11 )
ASSI ( resid 39 and name HE1 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1196 weight 1.1 volume 270.76440 ppm1 6.74800 ppm2 -0.38000
  OR ( resid 39 and name HE2 )
     ( resid 37 and name HG21 )
ASSI ( resid 55 and name HZ3 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 1197 weight 1.1 volume 54.75100 ppm1 6.51900 ppm2 -0.56000
ASSI ( resid 39 and name HZ )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1198 weight 1.1 volume 31.02850 ppm1 6.90200 ppm2 -0.38000
ASSI ( resid 27 and name HN )
     ( resid 27 and name HG )
     6.0 0.1 0.1 peak 1199 weight 1.1 volume 196.60429 ppm1 8.79000 ppm2 1.53400
ASSI ( resid 59 and name HN )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1200 weight 1.1 volume 504.80289 ppm1 7.51300 ppm2 8.08200
  OR ( resid 59 and name HN )
     ( resid 13 and name HN )
  OR ( resid 55 and name HZ2 )
     ( resid 58 and name HN )
  OR ( resid 55 and name HZ2 )
     ( resid 13 and name HN )
  OR ( resid 57 and name HN )
     ( resid 58 and name HN )
  OR ( resid 57 and name HN )
     ( resid 13 and name HN )
ASSI ( resid 59 and name HN )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 1201 weight 1.1 volume 68.69230 ppm1 7.50700 ppm2 7.86700
ASSI ( resid 59 and name HN )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1202 weight 1.1 volume 321.06421 ppm1 7.50700 ppm2 8.26600
ASSI ( resid 55 and name HD1 )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1203 weight 1.1 volume 467.59631 ppm1 7.57100 ppm2 8.44100
ASSI ( resid 57 and name HN )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1204 weight 1.1 volume 145.29910 ppm1 7.51400 ppm2 8.45000
ASSI ( resid 55 and name HE3 )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1205 weight 1.1 volume 68.46130 ppm1 7.35300 ppm2 8.44400
ASSI ( attr store1 < 7.359 and attr store1 > 7.319 )
     ( attr store1 < 8.269 and attr store1 > 8.189 )
     6.0 0.1 0.1 peak 1206 volume 59.48920 ppm1 7.33900 ppm2 8.22900
ASSI ( resid 4 and name HE1 )
     ( resid 4 and name HN )
     6.0 0.1 0.1 peak 1207 weight 1.1 volume 29.01240 ppm1 7.34000 ppm2 8.14600
  OR ( resid 4 and name HE2 )
     ( resid 4 and name HN )
ASSI ( attr store1 < 7.322 and attr store1 > 7.282 )
     ( attr store1 < 8.27 and attr store1 > 8.19 )
     6.0 0.1 0.1 peak 1208 volume 79.68350 ppm1 7.30200 ppm2 8.23000
ASSI ( resid 34 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 1209 weight 1.1 volume 135.94370 ppm1 7.25800 ppm2 8.02400
ASSI ( attr store1 < 7.278 and attr store1 > 7.238 )
     ( attr store1 < 8.179 and attr store1 > 8.099 )
     6.0 0.1 0.1 peak 1210 volume 19.44470 ppm1 7.25800 ppm2 8.13900
ASSI ( resid 9 and name HN )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 1211 weight 1.1 volume 143.73599 ppm1 7.26300 ppm2 8.28900
ASSI ( resid 34 and name HN )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 1212 weight 1.1 volume 392.79111 ppm1 7.26000 ppm2 8.36300
ASSI ( resid 4 and name HE1 )
     ( resid 5 and name HN )
     6.0 0.1 0.1 peak 1213 weight 1.1 volume 23.99920 ppm1 7.33900 ppm2 8.31800
ASSI ( resid 19 and name HD1 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1214 weight 1.1 volume 35.69460 ppm1 7.30100 ppm2 8.55700
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HE1 )
     6.0 0.1 0.1 peak 1215 weight 1.1 volume 20.19330 ppm1 7.21800 ppm2 8.43600
ASSI ( attr store1 < 7.177 and attr store1 > 7.137 )
     ( attr store1 < 8.493 and attr store1 > 8.413 )
     6.0 0.1 0.1 peak 1216 volume 80.79070 ppm1 7.15700 ppm2 8.45300
ASSI ( resid 45 and name HN )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1217 weight 1.1 volume 85.62950 ppm1 7.15900 ppm2 8.60500
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HN )
     6.0 0.1 0.1 peak 1218 weight 1.1 volume 128.85490 ppm1 7.21600 ppm2 8.23300
ASSI ( resid 4 and name HD2 )
     ( resid 5 and name HN )
     6.0 0.1 0.1 peak 1219 weight 1.1 volume 99.75670 ppm1 7.18200 ppm2 8.32300
  OR ( resid 4 and name HD1 )
     ( resid 5 and name HN )
ASSI ( attr store1 < 7.164 and attr store1 > 7.124 )
     ( attr store1 < 8.287 and attr store1 > 8.207 )
     6.0 0.1 0.1 peak 1220 volume 90.88320 ppm1 7.14400 ppm2 8.24700
ASSI ( attr store1 < 7.128 and attr store1 > 7.088 )
     ( attr store1 < 8.309 and attr store1 > 8.229 )
     6.0 0.1 0.1 peak 1221 volume 206.11121 ppm1 7.10800 ppm2 8.26900
ASSI ( resid 4 and name HD1 )
     ( resid 4 and name HN )
     6.0 0.1 0.1 peak 1222 weight 1.1 volume 161.51570 ppm1 7.18200 ppm2 8.14900
  OR ( resid 4 and name HD2 )
     ( resid 4 and name HN )
ASSI ( resid 19 and name HE1 )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1223 weight 1.1 volume 50.01780 ppm1 7.33100 ppm2 7.77600
  OR ( resid 19 and name HE2 )
     ( resid 19 and name HN )
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
     ( attr store1 < 7.748 and attr store1 > 7.668 )
     6.0 0.1 0.1 peak 1224 volume 51.48850 ppm1 7.30000 ppm2 7.70800
ASSI ( resid 19 and name HD2 )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1225 weight 1.1 volume 173.77541 ppm1 7.29700 ppm2 7.77700
  OR ( resid 19 and name HD1 )
     ( resid 19 and name HN )
ASSI ( resid 34 and name HN )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 1226 weight 1.1 volume 35.86620 ppm1 7.26100 ppm2 7.84000
ASSI ( attr store1 < 7.271 and attr store1 > 7.231 )
     ( attr store1 < 7.914 and attr store1 > 7.834 )
     6.0 0.1 0.1 peak 1227 volume 63.41150 ppm1 7.25100 ppm2 7.87400
ASSI ( attr store1 < 7.354 and attr store1 > 7.314 )
     ( attr store1 < 7.746 and attr store1 > 7.666 )
     6.0 0.1 0.1 peak 1228 volume 33.05040 ppm1 7.33400 ppm2 7.70600
ASSI ( attr store1 < 7.162 and attr store1 > 7.122 )
     ( attr store1 < 7.799 and attr store1 > 7.719 )
     6.0 0.1 0.1 peak 1229 volume 110.86480 ppm1 7.14200 ppm2 7.75900
ASSI ( resid 45 and name HN )
     ( resid 43 and name HN )
     6.0 0.1 0.1 peak 1230 weight 1.1 volume 264.60751 ppm1 7.16000 ppm2 7.70600
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HD21 )
     6.0 0.1 0.1 peak 1231 weight 1.1 volume 1714.81677 ppm1 7.14300 ppm2 7.60600
ASSI ( attr store1 < 7.184 and attr store1 > 7.144 )
     ( attr store1 < 7.559 and attr store1 > 7.479 )
     6.0 0.1 0.1 peak 1232 volume 2066.78662 ppm1 7.16400 ppm2 7.51900
ASSI ( resid 58 and name HD1 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 1233 weight 1.1 volume 357.72849 ppm1 7.10400 ppm2 7.50900
  OR ( resid 58 and name HD1 )
     ( resid 57 and name HN )
ASSI ( resid 23 and name HE1 )
     ( resid 25 and name HE )
     6.0 0.1 0.1 peak 1234 weight 1.1 volume 182.06120 ppm1 7.10400 ppm2 7.43000
  OR ( resid 23 and name HE2 )
     ( resid 25 and name HE )
ASSI ( attr store1 < 7.059 and attr store1 > 7.019 )
     ( attr store1 < 7.548 and attr store1 > 7.468 )
     6.0 0.1 0.1 peak 1235 volume 76.39550 ppm1 7.03900 ppm2 7.50800
ASSI ( resid 53 and name HE22 )
     ( resid 53 and name HE21 )
     6.0 0.1 0.1 peak 1236 weight 1.1 volume 962.93091 ppm1 7.03700 ppm2 7.70900
ASSI ( attr store1 < 7.128 and attr store1 > 7.088 )
     ( attr store1 < 7.792 and attr store1 > 7.712 )
     6.0 0.1 0.1 peak 1237 volume 69.98970 ppm1 7.10800 ppm2 7.75200
ASSI ( attr store1 < 7.125 and attr store1 > 7.085 )
     ( attr store1 < 7.926 and attr store1 > 7.846 )
     6.0 0.1 0.1 peak 1238 volume 148.97380 ppm1 7.10500 ppm2 7.88600
ASSI ( resid 4 and name HD1 )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 1239 weight 1.1 volume 59.59790 ppm1 7.18100 ppm2 8.02100
  OR ( resid 4 and name HD2 )
     ( resid 6 and name HN )
ASSI ( resid 26 and name HE22 )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 1240 weight 1.1 volume 326.53229 ppm1 7.09900 ppm2 8.02400
ASSI ( resid 45 and name HN )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 1241 weight 1.1 volume 436.62259 ppm1 7.16100 ppm2 7.97000
ASSI ( resid 58 and name HD1 )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1242 weight 1.1 volume 234.60550 ppm1 7.10000 ppm2 8.07800
  OR ( resid 58 and name HD2 )
     ( resid 58 and name HN )
ASSI ( resid 53 and name HE22 )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 1243 weight 1.1 volume 28.59910 ppm1 7.03700 ppm2 8.46000
ASSI ( attr store1 < 7.32 and attr store1 > 7.28 )
     ( attr store1 < 8.767 and attr store1 > 8.687 )
     6.0 0.1 0.1 peak 1244 volume 36.15750 ppm1 7.30000 ppm2 8.72700
ASSI ( resid 34 and name HN )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 1245 weight 1.1 volume 81.19520 ppm1 7.25600 ppm2 8.86500
ASSI ( resid 39 and name HD1 )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 1246 weight 1.1 volume 296.38861 ppm1 7.14100 ppm2 8.72200
  OR ( resid 39 and name HD2 )
     ( resid 40 and name HN )
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 1247 weight 1.1 volume 154.74100 ppm1 7.14200 ppm2 8.86900
ASSI ( resid 39 and name HD2 )
     ( resid 47 and name HN )
     6.0 0.1 0.1 peak 1248 weight 1.1 volume 62.39740 ppm1 7.13800 ppm2 9.00200
  OR ( resid 39 and name HD1 )
     ( resid 47 and name HN )
ASSI ( attr store1 < 7.123 and attr store1 > 7.083 )
     ( attr store1 < 8.828 and attr store1 > 8.748 )
     6.0 0.1 0.1 peak 1249 volume 26.79880 ppm1 7.10300 ppm2 8.78800
ASSI ( resid 23 and name HE2 )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 1250 weight 1.1 volume 116.47880 ppm1 7.10200 ppm2 8.87100
ASSI ( resid 23 and name HE1 )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1251 weight 1.1 volume 50.50200 ppm1 7.10300 ppm2 9.00000
  OR ( resid 23 and name HE2 )
     ( resid 25 and name HN )
ASSI ( resid 45 and name HN )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 1252 weight 1.1 volume 216.55280 ppm1 7.15800 ppm2 8.94600
  OR ( resid 45 and name HN )
     ( resid 54 and name HN )
  OR ( resid 53 and name HN )
     ( resid 41 and name HN )
  OR ( resid 53 and name HN )
     ( resid 54 and name HN )
ASSI ( resid 9 and name HN )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 1253 weight 1.1 volume 618.49139 ppm1 7.26400 ppm2 9.16000
ASSI ( attr store1 < 7.123 and attr store1 > 7.083 )
     ( attr store1 < 9.185 and attr store1 > 9.105 )
     6.0 0.1 0.1 peak 1254 volume 84.07440 ppm1 7.10300 ppm2 9.14500
ASSI ( resid 39 and name HD1 )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 1255 weight 1.1 volume 277.74490 ppm1 7.13900 ppm2 9.16500
ASSI ( resid 9 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 1256 weight 1.1 volume 40.98410 ppm1 7.26400 ppm2 10.16900
ASSI ( resid 26 and name HE22 )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 1257 weight 1.1 volume 164.49870 ppm1 7.10100 ppm2 10.17100
ASSI ( attr store1 < 7.183 and attr store1 > 7.143 )
     ( attr store1 < 9.939 and attr store1 > 9.859 )
     6.0 0.1 0.1 peak 1258 volume 101.01910 ppm1 7.16300 ppm2 9.89900
ASSI ( resid 50 and name HD21 )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 1259 weight 1.1 volume 151.17191 ppm1 6.86700 ppm2 9.92700
ASSI ( resid 10 and name HD2 )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 1260 weight 1.1 volume 48.51300 ppm1 6.86700 ppm2 9.49600
  OR ( resid 10 and name HD1 )
     ( resid 36 and name HN )
ASSI ( resid 40 and name HD2 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 1261 weight 1.1 volume 143.29710 ppm1 6.90300 ppm2 9.13600
ASSI ( resid 50 and name HD21 )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 1262 weight 1.1 volume 45.90090 ppm1 6.86600 ppm2 9.08500
ASSI ( resid 23 and name HD1 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 1263 weight 1.1 volume 173.26140 ppm1 6.84900 ppm2 9.13200
  OR ( resid 23 and name HD2 )
     ( resid 24 and name HN )
ASSI ( resid 39 and name HE1 )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 1264 weight 1.1 volume 44.55010 ppm1 6.75000 ppm2 9.15900
  OR ( resid 39 and name HE2 )
     ( resid 39 and name HN )
ASSI ( resid 23 and name HD1 )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1265 weight 1.1 volume 80.62460 ppm1 6.84800 ppm2 9.00100
  OR ( resid 23 and name HD2 )
     ( resid 25 and name HN )
ASSI ( attr store1 < 6.922 and attr store1 > 6.882 )
     ( attr store1 < 9.04 and attr store1 > 8.96 )
     6.0 0.1 0.1 peak 1266 volume 32.76380 ppm1 6.90200 ppm2 9.00000
ASSI ( resid 40 and name HD2 )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 1267 weight 1.1 volume 35.08850 ppm1 6.90200 ppm2 8.95900
ASSI ( resid 40 and name HD2 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1268 weight 1.1 volume 152.74770 ppm1 6.90200 ppm2 8.87100
ASSI ( resid 10 and name HD1 )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 1269 weight 1.1 volume 272.73129 ppm1 6.86800 ppm2 8.92000
  OR ( resid 10 and name HD2 )
     ( resid 11 and name HN )
ASSI ( resid 23 and name HD1 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1270 weight 1.1 volume 451.22421 ppm1 6.85100 ppm2 8.87300
  OR ( resid 23 and name HD2 )
     ( resid 23 and name HN )
ASSI ( attr store1 < 6.777 and attr store1 > 6.737 )
     ( attr store1 < 8.914 and attr store1 > 8.834 )
     6.0 0.1 0.1 peak 1271 volume 18.43220 ppm1 6.75700 ppm2 8.87400
ASSI ( resid 26 and name HE21 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 1272 weight 1.1 volume 21.42400 ppm1 6.85700 ppm2 8.79700
ASSI ( resid 23 and name HD2 )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 1273 weight 1.1 volume 29.70410 ppm1 6.85000 ppm2 8.72300
ASSI ( resid 40 and name HD2 )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 1274 weight 1.1 volume 140.29179 ppm1 6.90300 ppm2 8.72200
ASSI ( attr store1 < 6.769 and attr store1 > 6.729 )
     ( attr store1 < 8.76 and attr store1 > 8.68 )
     6.0 0.1 0.1 peak 1275 volume 19.67430 ppm1 6.74900 ppm2 8.72000
ASSI ( resid 40 and name HD2 )
     ( resid 40 and name HE1 )
     6.0 0.1 0.1 peak 1276 weight 1.1 volume 24.10000 ppm1 6.90300 ppm2 8.53000
ASSI ( resid 50 and name HD21 )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 1277 weight 1.1 volume 408.46069 ppm1 6.86700 ppm2 8.46600
ASSI ( attr store1 < 6.768 and attr store1 > 6.728 )
     ( attr store1 < 8.309 and attr store1 > 8.229 )
     6.0 0.1 0.1 peak 1278 volume 103.11920 ppm1 6.74800 ppm2 8.26900
ASSI ( resid 39 and name HE2 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1279 weight 1.1 volume 7.59900 ppm1 6.86700 ppm2 8.39100
ASSI ( resid 10 and name HD1 )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 1280 weight 1.1 volume 399.97220 ppm1 6.86227 ppm2 8.28835
  OR ( resid 10 and name HD2 )
     ( resid 10 and name HN )
ASSI ( attr store1 < 6.771 and attr store1 > 6.731 )
     ( attr store1 < 8.121 and attr store1 > 8.041 )
     6.0 0.1 0.1 peak 1281 volume 33.86100 ppm1 6.75100 ppm2 8.08100
ASSI ( attr store1 < 6.87 and attr store1 > 6.83 )
     ( attr store1 < 7.928 and attr store1 > 7.848 )
     6.0 0.1 0.1 peak 1282 volume 45.49720 ppm1 6.85000 ppm2 7.88800
ASSI ( attr store1 < 6.81 and attr store1 > 6.77 )
     ( attr store1 < 7.872 and attr store1 > 7.792 )
     6.0 0.1 0.1 peak 1283 volume 11.44400 ppm1 6.79000 ppm2 7.83200
ASSI ( resid 40 and name HD2 )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 1284 weight 1.1 volume 43.56130 ppm1 6.90200 ppm2 7.76400
ASSI ( attr store1 < 6.92 and attr store1 > 6.88 )
     ( attr store1 < 7.748 and attr store1 > 7.668 )
     6.0 0.1 0.1 peak 1285 volume 57.22040 ppm1 6.90000 ppm2 7.70800
ASSI ( resid 3 and name HD22 )
     ( resid 3 and name HD21 )
     6.0 0.1 0.1 peak 1286 weight 1.1 volume 295.39700 ppm1 6.86700 ppm2 7.70600
  OR ( resid 3 and name HD22 )
     ( resid 50 and name HD22 )
  OR ( resid 50 and name HD21 )
     ( resid 3 and name HD21 )
  OR ( resid 50 and name HD21 )
     ( resid 50 and name HD22 )
ASSI ( resid 55 and name HH2 )
     ( resid 55 and name HZ2 )
     6.0 0.1 0.1 peak 1287 weight 1.1 volume 458.99500 ppm1 6.88400 ppm2 7.52300
ASSI ( resid 29 and name HD21 )
     ( resid 29 and name HD22 )
     6.0 0.1 0.1 peak 1288 weight 1.1 volume 2152.51221 ppm1 6.79100 ppm2 7.53900
ASSI ( attr store1 < 6.875 and attr store1 > 6.835 )
     ( attr store1 < 7.819 and attr store1 > 7.739 )
     6.0 0.1 0.1 peak 1289 volume 22.06980 ppm1 6.85500 ppm2 7.77900
ASSI ( resid 29 and name HD21 )
     ( resid 35 and name HD21 )
     6.0 0.1 0.1 peak 1290 weight 1.1 volume 41.93730 ppm1 6.79200 ppm2 7.60000
ASSI ( resid 55 and name HH2 )
     ( resid 55 and name HE3 )
     6.0 0.1 0.1 peak 1291 weight 1.1 volume 108.90920 ppm1 6.87800 ppm2 7.35700
ASSI ( resid 58 and name HE2 )
     ( resid 55 and name HE3 )
     6.0 0.1 0.1 peak 1292 weight 1.1 volume 85.50820 ppm1 6.74300 ppm2 7.35400
ASSI ( attr store1 < 6.923 and attr store1 > 6.883 )
     ( attr store1 < 7.255 and attr store1 > 7.175 )
     6.0 0.1 0.1 peak 1293 volume 69.93750 ppm1 6.90300 ppm2 7.21500
ASSI ( resid 23 and name HD1 )
     ( resid 23 and name HZ )
     6.0 0.1 0.1 peak 1294 weight 1.1 volume 455.84790 ppm1 6.85300 ppm2 7.25700
  OR ( resid 23 and name HD2 )
     ( resid 23 and name HZ )
ASSI ( resid 26 and name HE21 )
     ( resid 26 and name HE22 )
     6.0 0.1 0.1 peak 1295 weight 1.1 volume 2156.09595 ppm1 6.85200 ppm2 7.10400
  OR ( resid 26 and name HE21 )
     ( resid 23 and name HE2 )
  OR ( resid 26 and name HE21 )
     ( resid 23 and name HE1 )
  OR ( resid 23 and name HD2 )
     ( resid 26 and name HE22 )
  OR ( resid 23 and name HD2 )
     ( resid 23 and name HE2 )
  OR ( resid 23 and name HD2 )
     ( resid 23 and name HE1 )
  OR ( resid 23 and name HD1 )
     ( resid 26 and name HE22 )
  OR ( resid 23 and name HD1 )
     ( resid 23 and name HE2 )
  OR ( resid 23 and name HD1 )
     ( resid 23 and name HE1 )
ASSI ( resid 58 and name HE1 )
     ( resid 58 and name HD1 )
     6.0 0.1 0.1 peak 1296 weight 1.1 volume 3223.63330 ppm1 6.74400 ppm2 7.09600
  OR ( resid 58 and name HE1 )
     ( resid 58 and name HD2 )
  OR ( resid 58 and name HE2 )
     ( resid 58 and name HD1 )
  OR ( resid 58 and name HE2 )
     ( resid 58 and name HD2 )
ASSI ( attr store1 < 6.764 and attr store1 > 6.724 )
     ( attr store1 < 7.284 and attr store1 > 7.204 )
     6.0 0.1 0.1 peak 1297 volume 107.52190 ppm1 6.74400 ppm2 7.24400
ASSI ( attr store1 < 6.888 and attr store1 > 6.848 )
     ( attr store1 < 7.073 and attr store1 > 6.993 )
     6.0 0.1 0.1 peak 1298 volume 251.01810 ppm1 6.86800 ppm2 7.03300
ASSI ( resid 23 and name HA )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 1299 weight 1.1 volume 159.82970 ppm1 5.91200 ppm2 8.72200
ASSI ( resid 23 and name HA )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1300 weight 1.1 volume 222.18260 ppm1 5.91300 ppm2 8.87200
ASSI ( resid 23 and name HA )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 1301 weight 1.1 volume 522.79413 ppm1 5.91100 ppm2 9.13500
ASSI ( resid 55 and name HZ3 )
     ( resid 55 and name HZ2 )
     6.0 0.1 0.1 peak 1302 weight 1.1 volume 160.39790 ppm1 6.52000 ppm2 7.52700
ASSI ( resid 55 and name HZ3 )
     ( resid 55 and name HE3 )
     6.0 0.1 0.1 peak 1303 weight 1.1 volume 618.55042 ppm1 6.51900 ppm2 7.35400
ASSI ( resid 55 and name HZ3 )
     ( resid 39 and name HD1 )
     6.0 0.1 0.1 peak 1304 weight 1.1 volume 165.70869 ppm1 6.51800 ppm2 7.13400
ASSI ( resid 23 and name HA )
     ( resid 39 and name HD2 )
     6.0 0.1 0.1 peak 1305 weight 1.1 volume 221.11850 ppm1 5.91300 ppm2 7.14000
  OR ( resid 23 and name HA )
     ( resid 39 and name HD1 )
ASSI ( resid 55 and name HZ3 )
     ( resid 55 and name HH2 )
     6.0 0.1 0.1 peak 1306 weight 1.1 volume 661.61682 ppm1 6.51900 ppm2 6.87800
ASSI ( resid 55 and name HZ3 )
     ( resid 39 and name HE1 )
     6.0 0.1 0.1 peak 1307 weight 1.1 volume 288.67120 ppm1 6.51900 ppm2 6.74700
  OR ( resid 55 and name HZ3 )
     ( resid 39 and name HE2 )
ASSI ( attr store1 < 5.93 and attr store1 > 5.89 )
     ( attr store1 < 6.789 and attr store1 > 6.709 )
     6.0 0.1 0.1 peak 1308 volume 49.58860 ppm1 5.91000 ppm2 6.74900
ASSI ( resid 23 and name HA )
     ( resid 23 and name HD1 )
     6.0 0.1 0.1 peak 1309 weight 1.1 volume 170.06779 ppm1 5.91100 ppm2 6.84600
  OR ( resid 23 and name HA )
     ( resid 23 and name HD2 )
ASSI ( resid 23 and name HA )
     ( resid 40 and name HD2 )
     6.0 0.1 0.1 peak 1310 weight 1.1 volume 198.59540 ppm1 5.91300 ppm2 6.90300
ASSI ( resid 23 and name HA )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 1311 weight 1.1 volume 145.04680 ppm1 5.91300 ppm2 4.35300
ASSI ( resid 23 and name HA )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 1312 weight 1.1 volume 33.89820 ppm1 5.91100 ppm2 4.01200
ASSI ( resid 23 and name HA )
     ( resid 39 and name HB1 )
     6.0 0.1 0.1 peak 1313 weight 1.1 volume 32.15880 ppm1 5.91100 ppm2 3.01200
ASSI ( resid 23 and name HA )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 1314 weight 1.1 volume 391.47311 ppm1 5.91100 ppm2 2.63200
ASSI ( resid 23 and name HA )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 1315 weight 1.1 volume 360.69260 ppm1 5.91200 ppm2 2.94000
ASSI ( resid 23 and name HA )
     ( resid 38 and name HB )
     6.0 0.1 0.1 peak 1316 weight 1.1 volume 22.63580 ppm1 5.91200 ppm2 1.77500
ASSI ( resid 23 and name HA )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 1317 weight 1.1 volume 32.99700 ppm1 5.91200 ppm2 1.18100
ASSI ( resid 23 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1318 weight 1.1 volume 30.07000 ppm1 5.91300 ppm2 1.04600
ASSI ( resid 23 and name HA )
     ( resid 63 and name HD21 )
     6.0 0.1 0.1 peak 1319 weight 1.1 volume 48.51820 ppm1 5.91000 ppm2 0.90100
ASSI ( resid 23 and name HA )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 1320 weight 1.1 volume 34.99000 ppm1 5.91100 ppm2 0.52200
ASSI ( resid 23 and name HA )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1321 weight 1.1 volume 99.19170 ppm1 5.91300 ppm2 -0.38000
ASSI ( resid 56 and name HN )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 1322 weight 1.1 volume 370.90900 ppm1 5.78000 ppm2 -0.56000
ASSI ( resid 15 and name HN )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 1323 weight 1.1 volume 126.26910 ppm1 5.52100 ppm2 0.06200
ASSI ( resid 56 and name HN )
     ( resid 56 and name HG21 )
     6.0 0.1 0.1 peak 1324 weight 1.1 volume 121.64310 ppm1 5.78000 ppm2 0.31200
ASSI ( resid 41 and name HA )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1325 weight 1.1 volume 88.83020 ppm1 5.40800 ppm2 0.35500
ASSI ( resid 40 and name HA )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 1326 weight 1.1 volume 34.55020 ppm1 5.54362 ppm2 0.52024
ASSI ( resid 46 and name HA )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 1327 weight 1.1 volume 238.59959 ppm1 5.46700 ppm2 0.52200
ASSI ( resid 41 and name HA )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 1328 weight 1.1 volume 210.06850 ppm1 5.40700 ppm2 0.72600
ASSI ( resid 35 and name HA )
     ( resid 27 and name HD11 )
     6.0 0.1 0.1 peak 1329 weight 1.1 volume 51.19820 ppm1 5.20100 ppm2 0.81300
ASSI ( resid 41 and name HA )
     ( resid 21 and name HG11 )
     6.0 0.1 0.1 peak 1330 weight 1.1 volume 157.58020 ppm1 5.40700 ppm2 0.88100
ASSI ( attr store1 < 5.485 and attr store1 > 5.445 )
     ( attr store1 < 0.903 and attr store1 > 0.823 )
     6.0 0.1 0.1 peak 1331 volume 84.46430 ppm1 5.46500 ppm2 0.86300
ASSI ( attr store1 < 5.56119 and attr store1 > 5.52119 )
     ( attr store1 < 0.90692 and attr store1 > 0.82692 )
     6.0 0.1 0.1 peak 1332 volume 50.21270 ppm1 5.54119 ppm2 0.86692
ASSI ( attr store1 < 5.56038 and attr store1 > 5.52038 )
     ( attr store1 < 0.99359 and attr store1 > 0.91359 )
     6.0 0.1 0.1 peak 1333 volume 41.27980 ppm1 5.54038 ppm2 0.95359
ASSI ( attr store1 < 5.56038 and attr store1 > 5.52038 )
     ( attr store1 < 0.76322 and attr store1 > 0.68322 )
     6.0 0.1 0.1 peak 1334 volume 101.61730 ppm1 5.54038 ppm2 0.72322
ASSI ( resid 46 and name HA )
     ( resid 47 and name HG21 )
     6.0 0.1 0.1 peak 1335 weight 1.1 volume 166.91209 ppm1 5.46600 ppm2 0.95400
ASSI ( resid 41 and name HA )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 1336 weight 1.1 volume 124.91680 ppm1 5.41000 ppm2 0.95200
ASSI ( resid 41 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1337 weight 1.1 volume 136.20461 ppm1 5.40900 ppm2 1.04800
ASSI ( resid 35 and name HA )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 1338 weight 1.1 volume 70.85760 ppm1 5.20000 ppm2 1.08800
ASSI ( resid 39 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1339 weight 1.1 volume 36.94630 ppm1 5.09300 ppm2 1.04900
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
     ( attr store1 < 1.203 and attr store1 > 1.123 )
     6.0 0.1 0.1 peak 1340 volume 56.93930 ppm1 5.77200 ppm2 1.16300
ASSI ( resid 46 and name HA )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 1341 weight 1.1 volume 175.59509 ppm1 5.46500 ppm2 1.16500
ASSI ( resid 41 and name HA )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 1342 weight 1.1 volume 570.50189 ppm1 5.41000 ppm2 1.16400
ASSI ( resid 40 and name HA )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 1343 weight 1.1 volume 194.40030 ppm1 5.55200 ppm2 1.16300
ASSI ( attr store1 < 5.801 and attr store1 > 5.761 )
     ( attr store1 < 1.276 and attr store1 > 1.196 )
     6.0 0.1 0.1 peak 1344 volume 45.33680 ppm1 5.78100 ppm2 1.23600
ASSI ( resid 49 and name HA )
     ( resid 49 and name HB1 )
     6.0 0.1 0.1 peak 1345 weight 1.1 volume 191.95650 ppm1 5.05400 ppm2 1.24000
ASSI ( resid 15 and name HN )
     ( resid 15 and name HB1 )
     6.0 0.1 0.1 peak 1346 weight 1.1 volume 58.17470 ppm1 5.52300 ppm2 1.27800
ASSI ( resid 15 and name HN )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 1347 weight 1.1 volume 70.55950 ppm1 5.52100 ppm2 1.33500
ASSI ( resid 35 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 1348 weight 1.1 volume 43.21520 ppm1 5.19800 ppm2 1.35500
ASSI ( attr store1 < 5.429 and attr store1 > 5.389 )
     ( attr store1 < 1.447 and attr store1 > 1.367 )
     6.0 0.1 0.1 peak 1349 volume 78.83750 ppm1 5.40900 ppm2 1.40700
ASSI ( attr store1 < 5.431 and attr store1 > 5.391 )
     ( attr store1 < 1.521 and attr store1 > 1.441 )
     6.0 0.1 0.1 peak 1350 volume 54.21630 ppm1 5.41100 ppm2 1.48100
ASSI ( resid 56 and name HN )
     ( resid 57 and name HG1 )
     6.0 0.1 0.1 peak 1351 weight 1.1 volume 60.81720 ppm1 5.77800 ppm2 1.45600
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
     ( attr store1 < 1.617 and attr store1 > 1.537 )
     6.0 0.1 0.1 peak 1352 volume 30.31250 ppm1 5.77200 ppm2 1.57700
ASSI ( resid 15 and name HN )
     ( resid 15 and name HG )
     6.0 0.1 0.1 peak 1353 weight 1.1 volume 84.22380 ppm1 5.52800 ppm2 1.57000
ASSI ( attr store1 < 5.491 and attr store1 > 5.451 )
     ( attr store1 < 1.612 and attr store1 > 1.532 )
     6.0 0.1 0.1 peak 1354 volume 68.58600 ppm1 5.47100 ppm2 1.57200
ASSI ( resid 49 and name HA )
     ( resid 11 and name HG21 )
     6.0 0.1 0.1 peak 1355 weight 1.1 volume 19.76110 ppm1 5.05600 ppm2 1.52400
ASSI ( resid 56 and name HN )
     ( resid 53 and name HB2 )
     6.0 0.1 0.1 peak 1356 weight 1.1 volume 140.16910 ppm1 5.78000 ppm2 1.86800
ASSI ( resid 56 and name HN )
     ( resid 56 and name HB )
     6.0 0.1 0.1 peak 1357 weight 1.1 volume 417.92139 ppm1 5.78000 ppm2 1.77100
ASSI ( resid 46 and name HA )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 1358 weight 1.1 volume 101.08860 ppm1 5.46700 ppm2 2.02800
ASSI ( resid 41 and name HA )
     ( resid 42 and name HB1 )
     6.0 0.1 0.1 peak 1359 weight 1.1 volume 41.73450 ppm1 5.41000 ppm2 1.97900
ASSI ( resid 41 and name HA )
     ( resid 42 and name HB2 )
     6.0 0.1 0.1 peak 1360 weight 1.1 volume 109.59030 ppm1 5.41100 ppm2 1.87500
ASSI ( resid 15 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 1361 weight 1.1 volume 322.97610 ppm1 5.52200 ppm2 2.38900
ASSI ( resid 56 and name HN )
     ( resid 56 and name HA )
     6.0 0.1 0.1 peak 1362 weight 1.1 volume 136.03960 ppm1 5.78100 ppm2 2.88000
ASSI ( resid 56 and name HN )
     ( resid 55 and name HB2 )
     6.0 0.1 0.1 peak 1363 weight 1.1 volume 55.72750 ppm1 5.77800 ppm2 3.15900
  OR ( resid 56 and name HN )
     ( resid 58 and name HB1 )
ASSI ( resid 40 and name HA )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 1364 weight 1.1 volume 441.45541 ppm1 5.55500 ppm2 3.32700
ASSI ( resid 46 and name HA )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 1365 weight 1.1 volume 54.37670 ppm1 5.46500 ppm2 3.32700
ASSI ( resid 46 and name HA )
     ( resid 46 and name HB2 )
     6.0 0.1 0.1 peak 1366 weight 1.1 volume 433.30069 ppm1 5.46600 ppm2 3.57300
ASSI ( resid 40 and name HA )
     ( resid 46 and name HB2 )
     6.0 0.1 0.1 peak 1367 weight 1.1 volume 31.19940 ppm1 5.55200 ppm2 3.57300
ASSI ( resid 56 and name HN )
     ( resid 57 and name HA )
     6.0 0.1 0.1 peak 1368 weight 1.1 volume 86.82030 ppm1 5.77900 ppm2 3.59400
ASSI ( resid 46 and name HA )
     ( resid 46 and name HB1 )
     6.0 0.1 0.1 peak 1369 weight 1.1 volume 344.13699 ppm1 5.46600 ppm2 3.69600
ASSI ( resid 15 and name HN )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 1370 weight 1.1 volume 100.29580 ppm1 5.51900 ppm2 4.25200
ASSI ( resid 46 and name HA )
     ( resid 47 and name HA )
     6.0 0.1 0.1 peak 1371 weight 1.1 volume 87.84270 ppm1 5.46700 ppm2 4.35400
ASSI ( resid 56 and name HN )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 1372 weight 1.1 volume 61.33280 ppm1 5.78000 ppm2 4.46200
ASSI ( resid 56 and name HN )
     ( resid 53 and name HA )
     6.0 0.1 0.1 peak 1373 weight 1.1 volume 16.09130 ppm1 5.77900 ppm2 4.24200
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
     ( attr store1 < 4.683 and attr store1 > 4.603 )
     6.0 0.1 0.1 peak 1374 volume 39.14740 ppm1 5.77200 ppm2 4.64300
ASSI ( resid 40 and name HA )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 1375 weight 1.1 volume 48.27800 ppm1 5.55600 ppm2 4.63900
ASSI ( resid 46 and name HA )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 1376 weight 1.1 volume 104.49700 ppm1 5.46600 ppm2 4.64000
ASSI ( resid 41 and name HA )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 1377 weight 1.1 volume 58.35800 ppm1 5.41100 ppm2 4.70600
ASSI ( resid 41 and name HA )
     ( resid 41 and name HB )
     6.0 0.1 0.1 peak 1378 weight 1.1 volume 589.45923 ppm1 5.41100 ppm2 4.64400
ASSI ( resid 40 and name HA )
     ( resid 46 and name HA )
     6.0 0.1 0.1 peak 1379 weight 1.1 volume 365.89249 ppm1 5.55200 ppm2 5.46800
ASSI ( resid 41 and name HA )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 1380 weight 1.1 volume 82.36320 ppm1 5.41400 ppm2 5.55100
ASSI ( resid 46 and name HA )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 1381 weight 1.1 volume 297.70789 ppm1 5.46700 ppm2 5.55000
ASSI ( resid 56 and name HN )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 1382 weight 1.1 volume 63.30200 ppm1 5.77900 ppm2 7.15700
ASSI ( resid 40 and name HA )
     ( resid 40 and name HD2 )
     6.0 0.1 0.1 peak 1383 weight 1.1 volume 50.02810 ppm1 5.55300 ppm2 6.90300
ASSI ( resid 46 and name HA )
     ( resid 40 and name HD2 )
     6.0 0.1 0.1 peak 1384 weight 1.1 volume 13.70830 ppm1 5.46700 ppm2 6.90000
ASSI ( resid 40 and name HA )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 1385 weight 1.1 volume 18.87550 ppm1 5.55600 ppm2 7.15600
ASSI ( resid 56 and name HN )
     ( resid 55 and name HE3 )
     6.0 0.1 0.1 peak 1386 weight 1.1 volume 27.58030 ppm1 5.77800 ppm2 7.34900
ASSI ( resid 56 and name HN )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 1387 weight 1.1 volume 289.11951 ppm1 5.78000 ppm2 7.51500
ASSI ( resid 56 and name HN )
     ( resid 55 and name HD1 )
     6.0 0.1 0.1 peak 1388 weight 1.1 volume 74.42250 ppm1 5.78100 ppm2 7.57100
ASSI ( attr store1 < 5.792 and attr store1 > 5.752 )
     ( attr store1 < 7.743 and attr store1 > 7.663 )
     6.0 0.1 0.1 peak 1389 volume 16.90500 ppm1 5.77200 ppm2 7.70300
ASSI ( resid 56 and name HN )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1390 weight 1.1 volume 39.22260 ppm1 5.77900 ppm2 8.08100
ASSI ( resid 56 and name HN )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1391 weight 1.1 volume 171.29500 ppm1 5.78000 ppm2 8.44200
ASSI ( resid 40 and name HA )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 1392 weight 1.1 volume 181.60110 ppm1 5.55500 ppm2 8.72300
ASSI ( resid 46 and name HA )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1393 weight 1.1 volume 232.92790 ppm1 5.46800 ppm2 8.60300
ASSI ( resid 41 and name HA )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1394 weight 1.1 volume 297.57590 ppm1 5.40900 ppm2 8.78100
ASSI ( resid 46 and name HA )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 1395 weight 1.1 volume 33.66580 ppm1 5.46900 ppm2 8.72100
ASSI ( resid 41 and name HA )
     ( resid 42 and name HN )
     6.0 0.1 0.1 peak 1396 weight 1.1 volume 635.55432 ppm1 5.41000 ppm2 8.72300
ASSI ( resid 56 and name HN )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1397 weight 1.1 volume 16.87570 ppm1 5.77800 ppm2 8.93500
ASSI ( resid 46 and name HA )
     ( resid 47 and name HN )
     6.0 0.1 0.1 peak 1398 weight 1.1 volume 815.23407 ppm1 5.46700 ppm2 9.00800
ASSI ( resid 41 and name HA )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 1399 weight 1.1 volume 196.97650 ppm1 5.41200 ppm2 8.95800
ASSI ( resid 40 and name HA )
     ( resid 41 and name HN )
     6.0 0.1 0.1 peak 1400 weight 1.1 volume 811.88757 ppm1 5.55400 ppm2 8.95800
ASSI ( resid 46 and name HA )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 1401 weight 1.1 volume 52.43790 ppm1 5.46600 ppm2 9.16900
ASSI ( resid 35 and name HA )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 1402 weight 1.1 volume 482.87170 ppm1 5.19800 ppm2 9.49600
ASSI ( resid 39 and name HA )
     ( resid 39 and name HN )
     6.0 0.1 0.1 peak 1403 weight 1.1 volume 49.52650 ppm1 5.09700 ppm2 9.15700
ASSI ( resid 35 and name HA )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 1404 weight 1.1 volume 121.11340 ppm1 5.19900 ppm2 8.86500
ASSI ( resid 35 and name HA )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 1405 weight 1.1 volume 38.24200 ppm1 5.20000 ppm2 8.79700
  OR ( resid 35 and name HA )
     ( resid 27 and name HN )
ASSI ( resid 39 and name HA )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 1406 weight 1.1 volume 147.98950 ppm1 5.10000 ppm2 8.72300
ASSI ( resid 49 and name HA )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 1407 weight 1.1 volume 89.50090 ppm1 5.05200 ppm2 8.46100
ASSI ( resid 32 and name HA )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 1408 weight 1.1 volume 72.56100 ppm1 4.98300 ppm2 8.37300
ASSI ( resid 27 and name HA )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1409 weight 1.1 volume 34.29670 ppm1 4.94000 ppm2 8.22900
ASSI ( resid 35 and name HA )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1410 weight 1.1 volume 156.42101 ppm1 5.19900 ppm2 8.23200
ASSI ( resid 41 and name HA )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 1411 weight 1.1 volume 106.68310 ppm1 5.41000 ppm2 7.76300
ASSI ( resid 41 and name HA )
     ( resid 43 and name HN )
     6.0 0.1 0.1 peak 1412 weight 1.1 volume 120.50220 ppm1 5.41000 ppm2 7.70700
ASSI ( resid 35 and name HA )
     ( resid 35 and name HD21 )
     6.0 0.1 0.1 peak 1413 weight 1.1 volume 42.82090 ppm1 5.19400 ppm2 7.60600
ASSI ( resid 39 and name HA )
     ( resid 39 and name HD1 )
     6.0 0.1 0.1 peak 1414 weight 1.1 volume 198.55960 ppm1 5.09700 ppm2 7.14100
  OR ( resid 39 and name HA )
     ( resid 39 and name HD2 )
ASSI ( resid 39 and name HA )
     ( resid 39 and name HE1 )
     6.0 0.1 0.1 peak 1415 weight 1.1 volume 28.35530 ppm1 5.09400 ppm2 6.75200
  OR ( resid 39 and name HA )
     ( resid 39 and name HE2 )
ASSI ( resid 49 and name HA )
     ( resid 50 and name HD21 )
     6.0 0.1 0.1 peak 1416 weight 1.1 volume 25.81690 ppm1 5.05400 ppm2 6.86900
ASSI ( resid 39 and name HA )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 1417 weight 1.1 volume 99.36940 ppm1 5.10200 ppm2 5.91000
ASSI ( resid 35 and name HA )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 1418 weight 1.1 volume 195.61400 ppm1 5.19800 ppm2 4.94100
ASSI ( resid 35 and name HA )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 1419 weight 1.1 volume 43.80870 ppm1 5.19900 ppm2 4.68700
ASSI ( resid 41 and name HA )
     ( resid 21 and name HA )
     6.0 0.1 0.1 peak 1420 weight 1.1 volume 40.10810 ppm1 5.41300 ppm2 4.46100
ASSI ( resid 41 and name HA )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 1421 weight 1.1 volume 604.77173 ppm1 5.41100 ppm2 4.24300
ASSI ( resid 41 and name HA )
     ( resid 42 and name HA )
     6.0 0.1 0.1 peak 1422 weight 1.1 volume 88.11720 ppm1 5.41100 ppm2 4.08200
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 1423 weight 1.1 volume 63.60520 ppm1 4.98800 ppm2 3.40000
ASSI ( resid 39 and name HA )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 1424 weight 1.1 volume 16.04140 ppm1 5.10300 ppm2 2.63000
ASSI ( resid 39 and name HA )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 1425 weight 1.1 volume 47.52200 ppm1 5.09300 ppm2 2.77900
ASSI ( resid 35 and name HA )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 1426 weight 1.1 volume 511.31451 ppm1 5.19700 ppm2 2.73400
  OR ( resid 35 and name HA )
     ( resid 35 and name HB2 )
ASSI ( resid 39 and name HA )
     ( resid 39 and name HB1 )
     6.0 0.1 0.1 peak 1427 weight 1.1 volume 93.71960 ppm1 5.09600 ppm2 3.01300
ASSI ( resid 35 and name HA )
     ( resid 26 and name HG1 )
     6.0 0.1 0.1 peak 1428 weight 1.1 volume 78.75000 ppm1 5.20100 ppm2 2.24300
ASSI ( resid 35 and name HA )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 1429 weight 1.1 volume 61.58450 ppm1 5.19900 ppm2 1.89200
ASSI ( resid 53 and name HA )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 1430 weight 1.1 volume 43.76990 ppm1 4.24100 ppm2 -0.56000
ASSI ( resid 51 and name HA )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 1431 weight 1.1 volume 49.63190 ppm1 3.83600 ppm2 -0.55800
ASSI ( resid 51 and name HA )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1432 weight 1.1 volume 44.90140 ppm1 3.83600 ppm2 -0.37900
ASSI ( resid 37 and name HA )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1433 weight 1.1 volume 253.54080 ppm1 4.37500 ppm2 -0.38100
ASSI ( resid 15 and name HA )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 1434 weight 1.1 volume 49.92680 ppm1 4.25400 ppm2 0.06600
ASSI ( attr store1 < 3.996 and attr store1 > 3.956 )
     ( attr store1 < 0.104 and attr store1 > 0.024 )
     6.0 0.1 0.1 peak 1435 volume 29.15210 ppm1 3.97600 ppm2 0.06400
ASSI ( resid 13 and name HA )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 1436 weight 1.1 volume 88.28720 ppm1 4.16500 ppm2 0.06600
ASSI ( resid 8 and name HA )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 1437 weight 1.1 volume 165.56160 ppm1 4.28900 ppm2 0.17200
ASSI ( resid 20 and name HA )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1438 weight 1.1 volume 226.99670 ppm1 4.24700 ppm2 0.35400
ASSI ( attr store1 < 4.034 and attr store1 > 3.994 )
     ( attr store1 < 0.386 and attr store1 > 0.306 )
     6.0 0.1 0.1 peak 1439 volume 110.09030 ppm1 4.01400 ppm2 0.34600
ASSI ( resid 17 and name HA )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1440 weight 1.1 volume 366.16150 ppm1 3.97700 ppm2 0.35400
ASSI ( resid 61 and name HA )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 1441 weight 1.1 volume 109.87200 ppm1 3.87600 ppm2 0.34700
ASSI ( resid 51 and name HA )
     ( resid 56 and name HG21 )
     6.0 0.1 0.1 peak 1442 weight 1.1 volume 453.56320 ppm1 3.83300 ppm2 0.30600
ASSI ( attr store1 < 4.183 and attr store1 > 4.143 )
     ( attr store1 < 0.556 and attr store1 > 0.476 )
     6.0 0.1 0.1 peak 1443 volume 31.41740 ppm1 4.16300 ppm2 0.51600
ASSI ( resid 37 and name HA )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 1444 weight 1.1 volume 384.89740 ppm1 4.37700 ppm2 0.52900
ASSI ( resid 51 and name HA )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 1445 weight 1.1 volume 105.97060 ppm1 3.83500 ppm2 0.52900
ASSI ( resid 24 and name HB )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 1446 weight 1.1 volume 141.68250 ppm1 4.01500 ppm2 0.52400
ASSI ( resid 21 and name HA )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 1447 weight 1.1 volume 71.92160 ppm1 4.45800 ppm2 0.72400
ASSI ( attr store1 < 4.279 and attr store1 > 4.239 )
     ( attr store1 < 0.674 and attr store1 > 0.594 )
     6.0 0.1 0.1 peak 1448 volume 47.72280 ppm1 4.25900 ppm2 0.63400
ASSI ( resid 20 and name HA )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 1449 weight 1.1 volume 443.37021 ppm1 4.25500 ppm2 0.72500
  OR ( resid 20 and name HA )
     ( resid 15 and name HD11 )
  OR ( resid 15 and name HA )
     ( resid 21 and name HG21 )
  OR ( resid 15 and name HA )
     ( resid 15 and name HD11 )
ASSI ( resid 42 and name HA )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 1450 weight 1.1 volume 353.22681 ppm1 4.08000 ppm2 0.72500
  OR ( resid 42 and name HA )
     ( resid 62 and name HD21 )
  OR ( resid 18 and name HA )
     ( resid 21 and name HG21 )
  OR ( resid 18 and name HA )
     ( resid 62 and name HD21 )
ASSI ( resid 58 and name HA )
     ( resid 62 and name HD21 )
     6.0 0.1 0.1 peak 1451 weight 1.1 volume 55.55450 ppm1 4.15600 ppm2 0.72200
ASSI ( resid 17 and name HA )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1452 weight 1.1 volume 125.72050 ppm1 3.97700 ppm2 0.63500
ASSI ( resid 17 and name HA )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1453 weight 1.1 volume 282.06180 ppm1 3.97600 ppm2 0.70400
ASSI ( resid 62 and name HA )
     ( resid 62 and name HD21 )
     6.0 0.1 0.1 peak 1454 weight 1.1 volume 635.95978 ppm1 3.92100 ppm2 0.72600
  OR ( resid 62 and name HA )
     ( resid 62 and name HD11 )
ASSI ( resid 17 and name HD1 )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1455 weight 1.1 volume 230.61031 ppm1 3.84700 ppm2 0.70300
  OR ( resid 17 and name HD2 )
     ( resid 59 and name HD11 )
ASSI ( attr store1 < 3.857 and attr store1 > 3.817 )
     ( attr store1 < 0.829 and attr store1 > 0.749 )
     6.0 0.1 0.1 peak 1456 volume 139.57130 ppm1 3.83700 ppm2 0.78900
ASSI ( resid 8 and name HA )
     ( resid 8 and name HD21 )
     6.0 0.1 0.1 peak 1457 weight 1.1 volume 1114.43152 ppm1 4.27000 ppm2 0.84700
  OR ( resid 8 and name HA )
     ( resid 63 and name HD11 )
  OR ( resid 63 and name HA )
     ( resid 8 and name HD21 )
  OR ( resid 63 and name HA )
     ( resid 63 and name HD11 )
ASSI ( resid 18 and name HA )
     ( resid 18 and name HG2 )
     6.0 0.1 0.1 peak 1458 weight 1.1 volume 137.31900 ppm1 4.07400 ppm2 0.82300
ASSI ( attr store1 < 4.096 and attr store1 > 4.056 )
     ( attr store1 < 0.915 and attr store1 > 0.835 )
     6.0 0.1 0.1 peak 1459 volume 377.42410 ppm1 4.07600 ppm2 0.87500
ASSI ( resid 18 and name HA )
     ( resid 18 and name HG1 )
     6.0 0.1 0.1 peak 1460 weight 1.1 volume 129.74339 ppm1 4.07500 ppm2 0.97500
ASSI ( attr store1 < 4.033 and attr store1 > 3.993 )
     ( attr store1 < 0.9 and attr store1 > 0.82 )
     6.0 0.1 0.1 peak 1461 volume 183.59940 ppm1 4.01300 ppm2 0.86000
ASSI ( attr store1 < 3.997 and attr store1 > 3.957 )
     ( attr store1 < 0.979 and attr store1 > 0.899 )
     6.0 0.1 0.1 peak 1462 volume 197.46919 ppm1 3.97700 ppm2 0.93900
ASSI ( attr store1 < 3.946 and attr store1 > 3.906 )
     ( attr store1 < 0.946 and attr store1 > 0.866 )
     6.0 0.1 0.1 peak 1463 volume 32.89100 ppm1 3.92600 ppm2 0.90600
ASSI ( resid 67 and name HA )
     ( resid 67 and name HG11 )
     6.0 0.1 0.1 peak 1464 weight 1.1 volume 433.99161 ppm1 4.10200 ppm2 0.91900
  OR ( resid 67 and name HA )
     ( resid 67 and name HG21 )
ASSI ( resid 13 and name HA )
     ( resid 14 and name HG11 )
     6.0 0.1 0.1 peak 1465 weight 1.1 volume 70.65520 ppm1 4.16400 ppm2 0.96600
ASSI ( resid 20 and name HA )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 1466 weight 1.1 volume 91.17200 ppm1 4.24700 ppm2 0.95300
ASSI ( attr store1 < 4.29 and attr store1 > 4.25 )
     ( attr store1 < 0.944 and attr store1 > 0.864 )
     6.0 0.1 0.1 peak 1467 volume 462.10129 ppm1 4.27000 ppm2 0.90400
ASSI ( resid 47 and name HA )
     ( resid 47 and name HG21 )
     6.0 0.1 0.1 peak 1468 weight 1.1 volume 338.73199 ppm1 4.35400 ppm2 0.95400
ASSI ( resid 21 and name HA )
     ( resid 21 and name HG11 )
     6.0 0.1 0.1 peak 1469 weight 1.1 volume 147.43510 ppm1 4.45900 ppm2 0.88000
ASSI ( attr store1 < 4.399 and attr store1 > 4.359 )
     ( attr store1 < 1.095 and attr store1 > 1.015 )
     6.0 0.1 0.1 peak 1470 volume 45.63430 ppm1 4.37900 ppm2 1.05500
ASSI ( attr store1 < 4.365 and attr store1 > 4.325 )
     ( attr store1 < 1.088 and attr store1 > 1.008 )
     6.0 0.1 0.1 peak 1471 volume 34.60740 ppm1 4.34500 ppm2 1.04800
ASSI ( resid 20 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1472 weight 1.1 volume 266.10721 ppm1 4.24600 ppm2 1.04800
ASSI ( resid 11 and name HB )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 1473 weight 1.1 volume 63.07330 ppm1 4.45700 ppm2 1.16700
ASSI ( resid 24 and name HA )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 1474 weight 1.1 volume 714.75079 ppm1 4.35300 ppm2 1.17700
  OR ( resid 24 and name HA )
     ( resid 47 and name HG11 )
  OR ( resid 47 and name HA )
     ( resid 24 and name HG21 )
  OR ( resid 47 and name HA )
     ( resid 47 and name HG11 )
ASSI ( resid 20 and name HA )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 1475 weight 1.1 volume 207.45731 ppm1 4.24600 ppm2 1.16500
ASSI ( resid 54 and name HA )
     ( resid 54 and name HG21 )
     6.0 0.1 0.1 peak 1476 weight 1.1 volume 693.38898 ppm1 4.28400 ppm2 1.23700
  OR ( resid 54 and name HA )
     ( resid 57 and name HG2 )
ASSI ( resid 43 and name HA )
     ( resid 43 and name HG2 )
     6.0 0.1 0.1 peak 1477 weight 1.1 volume 259.99271 ppm1 4.36700 ppm2 1.37200
  OR ( resid 43 and name HA )
     ( resid 43 and name HG1 )
ASSI ( resid 20 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 1478 weight 1.1 volume 446.75159 ppm1 4.24900 ppm2 1.42200
  OR ( resid 20 and name HA )
     ( resid 65 and name HG2 )
  OR ( resid 20 and name HA )
     ( resid 65 and name HG1 )
  OR ( resid 65 and name HA )
     ( resid 20 and name HG11 )
  OR ( resid 65 and name HA )
     ( resid 65 and name HG2 )
  OR ( resid 65 and name HA )
     ( resid 65 and name HG1 )
ASSI ( resid 15 and name HA )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 1479 weight 1.1 volume 424.04761 ppm1 4.25600 ppm2 1.33300
ASSI ( attr store1 < 4.386 and attr store1 > 4.346 )
     ( attr store1 < 1.525 and attr store1 > 1.445 )
     6.0 0.1 0.1 peak 1480 volume 96.07060 ppm1 4.36600 ppm2 1.48500
ASSI ( resid 11 and name HB )
     ( resid 11 and name HG21 )
     6.0 0.1 0.1 peak 1481 weight 1.1 volume 93.03950 ppm1 4.46200 ppm2 1.52500
ASSI ( resid 11 and name HA )
     ( resid 11 and name HG21 )
     6.0 0.1 0.1 peak 1482 weight 1.1 volume 36.91040 ppm1 4.50100 ppm2 1.52600
ASSI ( resid 8 and name HA )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 1483 weight 1.1 volume 662.66730 ppm1 4.28500 ppm2 1.57500
  OR ( resid 8 and name HA )
     ( resid 8 and name HB2 )
ASSI ( resid 43 and name HA )
     ( resid 43 and name HB2 )
     6.0 0.1 0.1 peak 1484 weight 1.1 volume 303.25781 ppm1 4.36800 ppm2 1.62000
ASSI ( resid 24 and name HA )
     ( resid 25 and name HB1 )
     6.0 0.1 0.1 peak 1485 weight 1.1 volume 142.67490 ppm1 4.35400 ppm2 1.69800
  OR ( resid 24 and name HA )
     ( resid 25 and name HB2 )
ASSI ( resid 65 and name HA )
     ( resid 65 and name HB2 )
     6.0 0.1 0.1 peak 1486 weight 1.1 volume 88.68390 ppm1 4.25200 ppm2 1.65900
  OR ( resid 65 and name HA )
     ( resid 18 and name HB2 )
  OR ( resid 15 and name HA )
     ( resid 65 and name HB2 )
  OR ( resid 15 and name HA )
     ( resid 18 and name HB2 )
ASSI ( resid 68 and name HA )
     ( resid 68 and name HB1 )
     6.0 0.1 0.1 peak 1487 weight 1.1 volume 166.74480 ppm1 4.28200 ppm2 1.72300
  OR ( resid 68 and name HA )
     ( resid 57 and name HB2 )
  OR ( resid 68 and name HA )
     ( resid 57 and name HB1 )
  OR ( resid 54 and name HA )
     ( resid 68 and name HB1 )
  OR ( resid 54 and name HA )
     ( resid 57 and name HB2 )
  OR ( resid 54 and name HA )
     ( resid 57 and name HB1 )
ASSI ( resid 66 and name HA )
     ( resid 66 and name HB1 )
     6.0 0.1 0.1 peak 1488 weight 1.1 volume 261.21259 ppm1 4.32200 ppm2 1.77800
ASSI ( resid 66 and name HA )
     ( resid 66 and name HB2 )
     6.0 0.1 0.1 peak 1489 weight 1.1 volume 377.24149 ppm1 4.31900 ppm2 1.84900
  OR ( resid 66 and name HA )
     ( resid 65 and name HB1 )
ASSI ( attr store1 < 4.288 and attr store1 > 4.248 )
     ( attr store1 < 1.983 and attr store1 > 1.903 )
     6.0 0.1 0.1 peak 1490 volume 553.34381 ppm1 4.26800 ppm2 1.94300
ASSI ( resid 53 and name HA )
     ( resid 53 and name HB1 )
     6.0 0.1 0.1 peak 1491 weight 1.1 volume 1444.44434 ppm1 4.25400 ppm2 1.85000
  OR ( resid 53 and name HA )
     ( resid 65 and name HB1 )
  OR ( resid 53 and name HA )
     ( resid 53 and name HB2 )
  OR ( resid 53 and name HA )
     ( resid 63 and name HG )
  OR ( resid 65 and name HA )
     ( resid 53 and name HB1 )
  OR ( resid 65 and name HA )
     ( resid 65 and name HB1 )
  OR ( resid 65 and name HA )
     ( resid 53 and name HB2 )
  OR ( resid 65 and name HA )
     ( resid 63 and name HG )
  OR ( resid 63 and name HA )
     ( resid 53 and name HB1 )
  OR ( resid 63 and name HA )
     ( resid 65 and name HB1 )
  OR ( resid 63 and name HA )
     ( resid 53 and name HB2 )
  OR ( resid 63 and name HA )
     ( resid 63 and name HG )
ASSI ( resid 43 and name HA )
     ( resid 43 and name HB1 )
     6.0 0.1 0.1 peak 1492 weight 1.1 volume 473.05661 ppm1 4.36400 ppm2 2.01800
ASSI ( attr store1 < 4.522 and attr store1 > 4.482 )
     ( attr store1 < 1.955 and attr store1 > 1.875 )
     6.0 0.1 0.1 peak 1493 volume 22.11140 ppm1 4.50200 ppm2 1.91500
ASSI ( resid 68 and name HA )
     ( resid 67 and name HB )
     6.0 0.1 0.1 peak 1494 weight 1.1 volume 20.01900 ppm1 4.28400 ppm2 2.07200
ASSI ( resid 70 and name HA )
     ( resid 70 and name HB1 )
     6.0 0.1 0.1 peak 1495 weight 1.1 volume 22.32800 ppm1 4.26700 ppm2 2.06200
ASSI ( resid 53 and name HA )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 1496 weight 1.1 volume 261.93600 ppm1 4.24000 ppm2 2.20100
ASSI ( resid 21 and name HA )
     ( resid 21 and name HB )
     6.0 0.1 0.1 peak 1497 weight 1.1 volume 178.20740 ppm1 4.46000 ppm2 2.20100
ASSI ( resid 30 and name HA )
     ( resid 30 and name HG1 )
     6.0 0.1 0.1 peak 1498 weight 1.1 volume 60.87430 ppm1 4.49300 ppm2 2.25300
ASSI ( resid 53 and name HA )
     ( resid 53 and name HG1 )
     6.0 0.1 0.1 peak 1499 weight 1.1 volume 392.19351 ppm1 4.23900 ppm2 2.44700
ASSI ( resid 6 and name HA )
     ( resid 6 and name HB2 )
     6.0 0.1 0.1 peak 1500 weight 1.1 volume 193.06920 ppm1 4.41000 ppm2 2.70000
ASSI ( resid 6 and name HA )
     ( resid 6 and name HB1 )
     6.0 0.1 0.1 peak 1501 weight 1.1 volume 190.48190 ppm1 4.41000 ppm2 2.86300
ASSI ( attr store1 < 4.278 and attr store1 > 4.238 )
     ( attr store1 < 2.972 and attr store1 > 2.892 )
     6.0 0.1 0.1 peak 1502 volume 45.94670 ppm1 4.25800 ppm2 2.93200
ASSI ( resid 4 and name HA )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 1503 weight 1.1 volume 36.11280 ppm1 4.50400 ppm2 2.97100
ASSI ( resid 4 and name HA )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 1504 weight 1.1 volume 59.76840 ppm1 4.49900 ppm2 3.07700
ASSI ( resid 55 and name HA )
     ( resid 55 and name HB2 )
     6.0 0.1 0.1 peak 1505 weight 1.1 volume 256.48911 ppm1 4.46200 ppm2 3.16300
  OR ( resid 55 and name HA )
     ( resid 58 and name HB1 )
ASSI ( resid 55 and name HA )
     ( resid 55 and name HB1 )
     6.0 0.1 0.1 peak 1506 weight 1.1 volume 155.24580 ppm1 4.46100 ppm2 3.56100
ASSI ( resid 47 and name HA )
     ( resid 48 and name HB1 )
     6.0 0.1 0.1 peak 1507 weight 1.1 volume 58.22760 ppm1 4.35400 ppm2 3.51900
ASSI ( resid 31 and name HA2 )
     ( resid 31 and name HA1 )
     6.0 0.1 0.1 peak 1508 weight 1.1 volume 1360.05334 ppm1 4.25400 ppm2 3.52500
ASSI ( attr store1 < 4.26 and attr store1 > 4.22 )
     ( attr store1 < 3.663 and attr store1 > 3.583 )
     6.0 0.1 0.1 peak 1509 volume 125.55930 ppm1 4.24000 ppm2 3.62300
ASSI ( resid 54 and name HA )
     ( resid 54 and name HB )
     6.0 0.1 0.1 peak 1510 weight 1.1 volume 290.87119 ppm1 4.28900 ppm2 3.62500
  OR ( resid 54 and name HA )
     ( resid 9 and name HA2 )
  OR ( resid 8 and name HA )
     ( resid 54 and name HB )
  OR ( resid 8 and name HA )
     ( resid 9 and name HA2 )
ASSI ( resid 2 and name HA )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 1511 weight 1.1 volume 47.22280 ppm1 4.48000 ppm2 3.76000
  OR ( resid 2 and name HA )
     ( resid 2 and name HB1 )
ASSI ( resid 24 and name HA )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 1512 weight 1.1 volume 231.18280 ppm1 4.34700 ppm2 4.01500
ASSI ( attr store1 < 4.571 and attr store1 > 4.531 )
     ( attr store1 < 4.664 and attr store1 > 4.584 )
     6.0 0.1 0.1 peak 1513 volume 42.81590 ppm1 4.55100 ppm2 4.62400
ASSI ( attr store1 < 4.437 and attr store1 > 4.397 )
     ( attr store1 < 4.626 and attr store1 > 4.546 )
     6.0 0.1 0.1 peak 1514 volume 31.27410 ppm1 4.41700 ppm2 4.58600
ASSI ( resid 8 and name HA )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 1515 weight 1.1 volume 144.66141 ppm1 4.27200 ppm2 4.56200
  OR ( resid 8 and name HA )
     ( resid 64 and name HA )
  OR ( resid 65 and name HA )
     ( resid 7 and name HA )
  OR ( resid 65 and name HA )
     ( resid 64 and name HA )
  OR ( resid 63 and name HA )
     ( resid 7 and name HA )
  OR ( resid 63 and name HA )
     ( resid 64 and name HA )
ASSI ( resid 20 and name HA )
     ( resid 41 and name HB )
     6.0 0.1 0.1 peak 1516 weight 1.1 volume 101.68620 ppm1 4.24500 ppm2 4.64400
ASSI ( attr store1 < 4.386 and attr store1 > 4.346 )
     ( attr store1 < 4.701 and attr store1 > 4.621 )
     6.0 0.1 0.1 peak 1517 volume 200.54880 ppm1 4.36600 ppm2 4.66100
ASSI ( resid 20 and name HA )
     ( resid 41 and name HA )
     6.0 0.1 0.1 peak 1518 weight 1.1 volume 470.23050 ppm1 4.24600 ppm2 5.41100
ASSI ( resid 15 and name HA )
     ( resid 15 and name HN )
     6.0 0.1 0.1 peak 1519 weight 1.1 volume 111.97400 ppm1 4.25700 ppm2 5.52100
ASSI ( resid 55 and name HA )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1520 weight 1.1 volume 21.23140 ppm1 4.46200 ppm2 5.77600
ASSI ( attr store1 < 4.269 and attr store1 > 4.229 )
     ( attr store1 < 5.821 and attr store1 > 5.741 )
     6.0 0.1 0.1 peak 1521 volume 18.46980 ppm1 4.24900 ppm2 5.78100
ASSI ( resid 24 and name HA )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 1522 weight 1.1 volume 76.72350 ppm1 4.34900 ppm2 5.91400
ASSI ( resid 24 and name HA )
     ( resid 23 and name HD1 )
     6.0 0.1 0.1 peak 1523 weight 1.1 volume 88.80490 ppm1 4.35000 ppm2 6.84700
  OR ( resid 24 and name HA )
     ( resid 23 and name HD2 )
ASSI ( attr store1 < 4.296 and attr store1 > 4.256 )
     ( attr store1 < 6.891 and attr store1 > 6.811 )
     6.0 0.1 0.1 peak 1524 volume 61.04680 ppm1 4.27600 ppm2 6.85100
ASSI ( resid 22 and name HA1 )
     ( resid 40 and name HD2 )
     6.0 0.1 0.1 peak 1525 weight 1.1 volume 13.87480 ppm1 4.34000 ppm2 6.90200
ASSI ( resid 53 and name HA )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 1526 weight 1.1 volume 214.07719 ppm1 4.23900 ppm2 7.15700
ASSI ( resid 8 and name HA )
     ( resid 9 and name HN )
     6.0 0.1 0.1 peak 1527 weight 1.1 volume 100.65840 ppm1 4.28200 ppm2 7.26600
ASSI ( resid 15 and name HA )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 1528 weight 1.1 volume 15.36600 ppm1 4.25400 ppm2 7.21900
ASSI ( attr store1 < 4.299 and attr store1 > 4.259 )
     ( attr store1 < 7.142 and attr store1 > 7.062 )
     6.0 0.1 0.1 peak 1529 volume 19.86740 ppm1 4.27900 ppm2 7.10200
ASSI ( attr store1 < 4.369 and attr store1 > 4.329 )
     ( attr store1 < 7.146 and attr store1 > 7.066 )
     6.0 0.1 0.1 peak 1530 volume 15.60870 ppm1 4.34900 ppm2 7.10600
ASSI ( attr store1 < 4.426 and attr store1 > 4.386 )
     ( attr store1 < 7.139 and attr store1 > 7.059 )
     6.0 0.1 0.1 peak 1531 volume 27.93560 ppm1 4.40600 ppm2 7.09900
ASSI ( attr store1 < 4.379 and attr store1 > 4.339 )
     ( attr store1 < 7.187 and attr store1 > 7.107 )
     6.0 0.1 0.1 peak 1532 volume 19.63690 ppm1 4.35900 ppm2 7.14700
ASSI ( resid 55 and name HA )
     ( resid 55 and name HE3 )
     6.0 0.1 0.1 peak 1533 weight 1.1 volume 18.68390 ppm1 4.46200 ppm2 7.35600
ASSI ( resid 53 and name HA )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 1534 weight 1.1 volume 68.02010 ppm1 4.24200 ppm2 7.51200
ASSI ( resid 53 and name HA )
     ( resid 55 and name HD1 )
     6.0 0.1 0.1 peak 1535 weight 1.1 volume 40.11160 ppm1 4.24500 ppm2 7.57100
ASSI ( resid 54 and name HA )
     ( resid 55 and name HD1 )
     6.0 0.1 0.1 peak 1536 weight 1.1 volume 31.81410 ppm1 4.28600 ppm2 7.57000
ASSI ( resid 55 and name HA )
     ( resid 55 and name HD1 )
     6.0 0.1 0.1 peak 1537 weight 1.1 volume 23.93370 ppm1 4.46000 ppm2 7.56800
ASSI ( resid 43 and name HA )
     ( resid 43 and name HN )
     6.0 0.1 0.1 peak 1538 weight 1.1 volume 113.75210 ppm1 4.36600 ppm2 7.69700
ASSI ( resid 65 and name HA )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 1539 weight 1.1 volume 486.62140 ppm1 4.25200 ppm2 7.67900
ASSI ( resid 20 and name HA )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 1540 weight 1.1 volume 299.29541 ppm1 4.24600 ppm2 7.75900
ASSI ( resid 22 and name HA1 )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 1541 weight 1.1 volume 72.49110 ppm1 4.33700 ppm2 7.76300
ASSI ( resid 22 and name HA2 )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 1542 weight 1.1 volume 66.53480 ppm1 4.38900 ppm2 7.76500
ASSI ( resid 30 and name HA )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 1543 weight 1.1 volume 54.30380 ppm1 4.49200 ppm2 7.84100
ASSI ( resid 31 and name HA2 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 1544 weight 1.1 volume 224.45930 ppm1 4.25600 ppm2 7.84700
ASSI ( resid 63 and name HA )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1545 weight 1.1 volume 68.89980 ppm1 4.27700 ppm2 7.88900
ASSI ( resid 70 and name HA )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 1546 weight 1.1 volume 91.09010 ppm1 4.26900 ppm2 7.94400
ASSI ( resid 65 and name HA )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1547 weight 1.1 volume 72.47630 ppm1 4.25000 ppm2 7.88700
ASSI ( resid 43 and name HA )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 1548 weight 1.1 volume 61.30160 ppm1 4.36700 ppm2 7.97200
ASSI ( resid 6 and name HA )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 1549 weight 1.1 volume 117.03020 ppm1 4.41000 ppm2 8.02200
ASSI ( resid 66 and name HA )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 1550 weight 1.1 volume 371.26501 ppm1 4.31300 ppm2 8.03100
ASSI ( attr store1 < 4.275 and attr store1 > 4.235 )
     ( attr store1 < 8.07 and attr store1 > 7.99 )
     6.0 0.1 0.1 peak 1551 volume 39.14770 ppm1 4.25500 ppm2 8.03000
ASSI ( resid 55 and name HA )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1552 weight 1.1 volume 12.31180 ppm1 4.46000 ppm2 8.07700
ASSI ( resid 66 and name HA )
     ( resid 66 and name HN )
     6.0 0.1 0.1 peak 1553 weight 1.1 volume 206.05569 ppm1 4.31700 ppm2 8.12400
ASSI ( resid 65 and name HA )
     ( resid 66 and name HN )
     6.0 0.1 0.1 peak 1554 weight 1.1 volume 673.26959 ppm1 4.25000 ppm2 8.12600
ASSI ( resid 31 and name HA2 )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 1555 weight 1.1 volume 834.57867 ppm1 4.25800 ppm2 8.20800
ASSI ( resid 63 and name HA )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 1556 weight 1.1 volume 351.40549 ppm1 4.26900 ppm2 8.26400
ASSI ( resid 68 and name HA )
     ( resid 68 and name HN )
     6.0 0.1 0.1 peak 1557 weight 1.1 volume 180.19710 ppm1 4.28400 ppm2 8.32700
ASSI ( resid 4 and name HA )
     ( resid 5 and name HN )
     6.0 0.1 0.1 peak 1558 weight 1.1 volume 79.68200 ppm1 4.50500 ppm2 8.31600
ASSI ( resid 2 and name HA )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 1559 weight 1.1 volume 146.59061 ppm1 4.46300 ppm2 8.45500
  OR ( resid 2 and name HA )
     ( resid 55 and name HN )
  OR ( resid 55 and name HA )
     ( resid 3 and name HN )
  OR ( resid 55 and name HA )
     ( resid 55 and name HN )
ASSI ( resid 53 and name HA )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1560 weight 1.1 volume 75.78590 ppm1 4.23400 ppm2 8.44100
ASSI ( resid 68 and name HA )
     ( resid 69 and name HN )
     6.0 0.1 0.1 peak 1561 weight 1.1 volume 530.60278 ppm1 4.28600 ppm2 8.44800
  OR ( resid 68 and name HA )
     ( resid 55 and name HN )
  OR ( resid 54 and name HA )
     ( resid 69 and name HN )
  OR ( resid 54 and name HA )
     ( resid 55 and name HN )
ASSI ( resid 24 and name HB )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 1562 weight 1.1 volume 48.95320 ppm1 4.01400 ppm2 5.91100
ASSI ( resid 42 and name HA )
     ( resid 41 and name HA )
     6.0 0.1 0.1 peak 1563 weight 1.1 volume 85.57470 ppm1 4.08400 ppm2 5.41100
ASSI ( resid 17 and name HA )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 1564 weight 1.1 volume 31.19800 ppm1 3.97500 ppm2 4.88800
ASSI ( resid 18 and name HA )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 1565 weight 1.1 volume 67.60520 ppm1 4.07700 ppm2 4.71500
ASSI ( resid 42 and name HA )
     ( resid 41 and name HB )
     6.0 0.1 0.1 peak 1566 weight 1.1 volume 38.40940 ppm1 4.08300 ppm2 4.64700
ASSI ( attr store1 < 4.032 and attr store1 > 3.992 )
     ( attr store1 < 4.713 and attr store1 > 4.633 )
     6.0 0.1 0.1 peak 1567 volume 30.89780 ppm1 4.01200 ppm2 4.67300
ASSI ( resid 64 and name HB2 )
     ( resid 64 and name HA )
     6.0 0.1 0.1 peak 1568 weight 1.1 volume 985.94592 ppm1 4.01500 ppm2 4.55800
  OR ( resid 64 and name HB1 )
     ( resid 64 and name HA )
ASSI ( resid 58 and name HA )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 1569 weight 1.1 volume 121.69210 ppm1 4.14600 ppm2 4.45700
ASSI ( attr store1 < 4.178 and attr store1 > 4.138 )
     ( attr store1 < 4.538 and attr store1 > 4.458 )
     6.0 0.1 0.1 peak 1570 volume 79.85800 ppm1 4.15800 ppm2 4.49800
ASSI ( resid 44 and name HA )
     ( resid 43 and name HA )
     6.0 0.1 0.1 peak 1571 weight 1.1 volume 82.53750 ppm1 3.95100 ppm2 4.36400
ASSI ( resid 24 and name HB )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 1572 weight 1.1 volume 556.07037 ppm1 4.01500 ppm2 4.35200
ASSI ( resid 42 and name HA )
     ( resid 43 and name HA )
     6.0 0.1 0.1 peak 1573 weight 1.1 volume 117.33290 ppm1 4.07600 ppm2 4.36000
ASSI ( attr store1 < 4.183 and attr store1 > 4.143 )
     ( attr store1 < 3.662 and attr store1 > 3.582 )
     6.0 0.1 0.1 peak 1574 volume 23.82710 ppm1 4.16300 ppm2 3.62200
ASSI ( resid 51 and name HD1 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1575 weight 1.1 volume 519.04779 ppm1 4.03500 ppm2 3.50300
ASSI ( resid 13 and name HA )
     ( resid 13 and name HD1 )
     6.0 0.1 0.1 peak 1576 weight 1.1 volume 61.70660 ppm1 4.16100 ppm2 3.05200
  OR ( resid 13 and name HA )
     ( resid 13 and name HD2 )
ASSI ( resid 51 and name HD1 )
     ( resid 50 and name HB1 )
     6.0 0.1 0.1 peak 1577 weight 1.1 volume 386.22760 ppm1 4.03500 ppm2 3.12600
ASSI ( resid 58 and name HA )
     ( resid 58 and name HB2 )
     6.0 0.1 0.1 peak 1578 weight 1.1 volume 1054.28394 ppm1 4.13900 ppm2 3.16500
  OR ( resid 58 and name HA )
     ( resid 58 and name HB1 )
ASSI ( attr store1 < 4.097 and attr store1 > 4.057 )
     ( attr store1 < 2.969 and attr store1 > 2.889 )
     6.0 0.1 0.1 peak 1579 volume 25.77560 ppm1 4.07700 ppm2 2.92900
ASSI ( resid 51 and name HD1 )
     ( resid 50 and name HB2 )
     6.0 0.1 0.1 peak 1580 weight 1.1 volume 38.60200 ppm1 4.03900 ppm2 2.73400
  OR ( resid 51 and name HD1 )
     ( resid 35 and name HB2 )
  OR ( resid 51 and name HD1 )
     ( resid 35 and name HB1 )
ASSI ( resid 13 and name HA )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 1581 weight 1.1 volume 51.41940 ppm1 4.16300 ppm2 2.38900
ASSI ( attr store1 < 4.098 and attr store1 > 4.058 )
     ( attr store1 < 2.226 and attr store1 > 2.146 )
     6.0 0.1 0.1 peak 1582 volume 37.72680 ppm1 4.07800 ppm2 2.18600
ASSI ( resid 67 and name HA )
     ( resid 67 and name HB )
     6.0 0.1 0.1 peak 1583 weight 1.1 volume 240.94330 ppm1 4.09500 ppm2 2.07000
ASSI ( resid 42 and name HA )
     ( resid 42 and name HB1 )
     6.0 0.1 0.1 peak 1584 weight 1.1 volume 587.84808 ppm1 4.08100 ppm2 1.97800
ASSI ( resid 58 and name HA )
     ( resid 61 and name HB1 )
     6.0 0.1 0.1 peak 1585 weight 1.1 volume 157.73050 ppm1 4.13700 ppm2 1.79100
ASSI ( resid 42 and name HA )
     ( resid 42 and name HB2 )
     6.0 0.1 0.1 peak 1586 weight 1.1 volume 468.97849 ppm1 4.08200 ppm2 1.86200
ASSI ( resid 58 and name HA )
     ( resid 61 and name HB2 )
     6.0 0.1 0.1 peak 1587 weight 1.1 volume 185.89090 ppm1 4.13800 ppm2 1.84100
ASSI ( resid 24 and name HB )
     ( resid 38 and name HB )
     6.0 0.1 0.1 peak 1588 weight 1.1 volume 457.55701 ppm1 4.01500 ppm2 1.77700
ASSI ( resid 18 and name HA )
     ( resid 18 and name HB2 )
     6.0 0.1 0.1 peak 1589 weight 1.1 volume 837.84253 ppm1 4.07500 ppm2 1.66600
  OR ( resid 18 and name HA )
     ( resid 68 and name HD1 )
  OR ( resid 18 and name HA )
     ( resid 68 and name HD2 )
ASSI ( resid 13 and name HA )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 1590 weight 1.1 volume 639.83698 ppm1 4.16400 ppm2 1.58700
  OR ( resid 13 and name HA )
     ( resid 13 and name HB2 )
ASSI ( resid 13 and name HA )
     ( resid 13 and name HG1 )
     6.0 0.1 0.1 peak 1591 weight 1.1 volume 632.66553 ppm1 4.16300 ppm2 1.50200
  OR ( resid 13 and name HA )
     ( resid 13 and name HG2 )
ASSI ( resid 1 and name HA )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 1592 weight 1.1 volume 441.17599 ppm1 4.09300 ppm2 1.49400
ASSI ( resid 18 and name HA )
     ( resid 18 and name HD2 )
     6.0 0.1 0.1 peak 1593 weight 1.1 volume 296.26370 ppm1 4.07800 ppm2 1.42000
  OR ( resid 18 and name HA )
     ( resid 18 and name HD1 )
ASSI ( attr store1 < 4.045 and attr store1 > 4.005 )
     ( attr store1 < 1.398 and attr store1 > 1.318 )
     6.0 0.1 0.1 peak 1594 volume 171.36160 ppm1 4.02500 ppm2 1.35800
ASSI ( attr store1 < 4.105 and attr store1 > 4.065 )
     ( attr store1 < 1.343 and attr store1 > 1.263 )
     6.0 0.1 0.1 peak 1595 volume 31.78560 ppm1 4.08500 ppm2 1.30300
ASSI ( attr store1 < 4.217 and attr store1 > 4.177 )
     ( attr store1 < 1.362 and attr store1 > 1.282 )
     6.0 0.1 0.1 peak 1596 volume 24.74440 ppm1 4.19700 ppm2 1.32200
ASSI ( attr store1 < 4.17 and attr store1 > 4.13 )
     ( attr store1 < 1.274 and attr store1 > 1.194 )
     6.0 0.1 0.1 peak 1597 volume 38.89590 ppm1 4.15000 ppm2 1.23400
ASSI ( resid 13 and name HA )
     ( resid 14 and name HB )
     6.0 0.1 0.1 peak 1598 weight 1.1 volume 208.47760 ppm1 4.16300 ppm2 1.10700
ASSI ( attr store1 < 4.095 and attr store1 > 4.055 )
     ( attr store1 < 1.207 and attr store1 > 1.127 )
     6.0 0.1 0.1 peak 1599 volume 46.55810 ppm1 4.07500 ppm2 1.16700
ASSI ( resid 24 and name HB )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 1600 weight 1.1 volume 596.80151 ppm1 4.01500 ppm2 1.18600
ASSI ( attr store1 < 3.774 and attr store1 > 3.734 )
     ( attr store1 < 0.79 and attr store1 > 0.71 )
     6.0 0.1 0.1 peak 1601 volume 15.29380 ppm1 3.75400 ppm2 0.75000
ASSI ( resid 24 and name HB )
     ( resid 38 and name HG11 )
     6.0 0.1 0.1 peak 1602 weight 1.1 volume 24.61530 ppm1 4.00700 ppm2 1.03900
  OR ( resid 24 and name HB )
     ( resid 38 and name HG12 )
ASSI ( resid 17 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1603 weight 1.1 volume 61.86480 ppm1 3.97700 ppm2 1.04900
ASSI ( resid 28 and name HA )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 1604 weight 1.1 volume 953.83618 ppm1 3.85500 ppm2 1.08900
ASSI ( resid 51 and name HA )
     ( resid 57 and name HG2 )
     6.0 0.1 0.1 peak 1605 weight 1.1 volume 24.59590 ppm1 3.83600 ppm2 1.24000
ASSI ( resid 52 and name HA )
     ( resid 52 and name HG2 )
     6.0 0.1 0.1 peak 1606 weight 1.1 volume 441.30829 ppm1 3.95500 ppm2 1.24400
ASSI ( resid 44 and name HA )
     ( resid 44 and name HG2 )
     6.0 0.1 0.1 peak 1607 weight 1.1 volume 499.20599 ppm1 3.95500 ppm2 1.30000
  OR ( resid 44 and name HA )
     ( resid 44 and name HG1 )
ASSI ( resid 52 and name HA )
     ( resid 52 and name HB1 )
     6.0 0.1 0.1 peak 1608 weight 1.1 volume 280.76331 ppm1 3.95500 ppm2 1.47500
  OR ( resid 52 and name HA )
     ( resid 52 and name HB2 )
ASSI ( resid 61 and name HA )
     ( resid 61 and name HG2 )
     6.0 0.1 0.1 peak 1609 weight 1.1 volume 259.49359 ppm1 3.86500 ppm2 1.48700
ASSI ( resid 62 and name HA )
     ( resid 62 and name HG )
     6.0 0.1 0.1 peak 1610 weight 1.1 volume 324.49329 ppm1 3.92800 ppm2 1.45900
ASSI ( resid 62 and name HA )
     ( resid 62 and name HB2 )
     6.0 0.1 0.1 peak 1611 weight 1.1 volume 962.53552 ppm1 3.92200 ppm2 1.58400
  OR ( resid 62 and name HA )
     ( resid 62 and name HB1 )
ASSI ( resid 51 and name HA )
     ( resid 51 and name HG2 )
     6.0 0.1 0.1 peak 1612 weight 1.1 volume 132.20930 ppm1 3.83700 ppm2 1.58000
ASSI ( resid 61 and name HA )
     ( resid 61 and name HG1 )
     6.0 0.1 0.1 peak 1613 weight 1.1 volume 263.18259 ppm1 3.87300 ppm2 1.66300
ASSI ( resid 52 and name HA )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 1614 weight 1.1 volume 571.33789 ppm1 3.95600 ppm2 1.78700
ASSI ( resid 51 and name HA )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 1615 weight 1.1 volume 416.23730 ppm1 3.83800 ppm2 1.78100
ASSI ( resid 61 and name HA )
     ( resid 61 and name HB2 )
     6.0 0.1 0.1 peak 1616 weight 1.1 volume 540.64618 ppm1 3.87100 ppm2 1.81600
  OR ( resid 61 and name HA )
     ( resid 61 and name HB1 )
ASSI ( resid 17 and name HA )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 1617 weight 1.1 volume 418.85101 ppm1 3.97600 ppm2 1.91900
  OR ( resid 17 and name HA )
     ( resid 17 and name HG2 )
  OR ( resid 17 and name HA )
     ( resid 17 and name HG1 )
ASSI ( resid 44 and name HA )
     ( resid 44 and name HB1 )
     6.0 0.1 0.1 peak 1618 weight 1.1 volume 447.46841 ppm1 3.95400 ppm2 1.96400
ASSI ( resid 17 and name HD2 )
     ( resid 17 and name HG2 )
     6.0 0.1 0.1 peak 1619 weight 1.1 volume 506.10181 ppm1 3.84500 ppm2 1.92100
  OR ( resid 17 and name HD2 )
     ( resid 17 and name HG1 )
  OR ( resid 17 and name HD1 )
     ( resid 17 and name HG2 )
  OR ( resid 17 and name HD1 )
     ( resid 17 and name HG1 )
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 1620 weight 1.1 volume 372.84131 ppm1 3.97600 ppm2 2.04100
ASSI ( resid 44 and name HA )
     ( resid 44 and name HB2 )
     6.0 0.1 0.1 peak 1621 weight 1.1 volume 282.60529 ppm1 3.95000 ppm2 2.09600
ASSI ( resid 17 and name HD2 )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 1622 weight 1.1 volume 443.51889 ppm1 3.84400 ppm2 2.18500
  OR ( resid 17 and name HD1 )
     ( resid 17 and name HB1 )
ASSI ( resid 28 and name HA )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 1623 weight 1.1 volume 19.18590 ppm1 3.84700 ppm2 2.56900
ASSI ( attr store1 < 3.864 and attr store1 > 3.824 )
     ( attr store1 < 2.773 and attr store1 > 2.693 )
     6.0 0.1 0.1 peak 1624 volume 20.81170 ppm1 3.84400 ppm2 2.73300
ASSI ( resid 52 and name HA )
     ( resid 57 and name HE1 )
     6.0 0.1 0.1 peak 1625 weight 1.1 volume 177.06059 ppm1 3.95500 ppm2 2.80400
  OR ( resid 52 and name HA )
     ( resid 57 and name HE2 )
ASSI ( resid 17 and name HD2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 1626 weight 1.1 volume 145.95100 ppm1 3.84700 ppm2 2.92700
  OR ( resid 17 and name HD1 )
     ( resid 16 and name HB1 )
ASSI ( resid 61 and name HA )
     ( resid 61 and name HD2 )
     6.0 0.1 0.1 peak 1627 weight 1.1 volume 86.78030 ppm1 3.87200 ppm2 3.13500
  OR ( resid 61 and name HA )
     ( resid 61 and name HD1 )
ASSI ( resid 17 and name HD2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 1628 weight 1.1 volume 196.82790 ppm1 3.84400 ppm2 3.25700
  OR ( resid 17 and name HD1 )
     ( resid 16 and name HB2 )
ASSI ( resid 62 and name HA )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 1629 weight 1.1 volume 51.44710 ppm1 3.92200 ppm2 3.44500
ASSI ( resid 51 and name HA )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1630 weight 1.1 volume 45.70640 ppm1 3.83800 ppm2 3.51400
ASSI ( resid 61 and name HA )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 1631 weight 1.1 volume 24.67880 ppm1 3.87000 ppm2 4.14000
ASSI ( attr store1 < 4.034 and attr store1 > 3.994 )
     ( attr store1 < 4.296 and attr store1 > 4.216 )
     6.0 0.1 0.1 peak 1632 volume 123.95320 ppm1 4.01400 ppm2 4.25600
ASSI ( resid 17 and name HA )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 1633 weight 1.1 volume 103.95410 ppm1 3.97800 ppm2 4.25200
ASSI ( attr store1 < 3.944 and attr store1 > 3.904 )
     ( attr store1 < 4.281 and attr store1 > 4.201 )
     6.0 0.1 0.1 peak 1634 volume 120.84560 ppm1 3.92400 ppm2 4.24100
ASSI ( attr store1 < 3.889 and attr store1 > 3.849 )
     ( attr store1 < 4.256 and attr store1 > 4.176 )
     6.0 0.1 0.1 peak 1635 volume 69.23970 ppm1 3.86900 ppm2 4.21600
ASSI ( resid 2 and name HB1 )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 1636 weight 1.1 volume 185.73270 ppm1 3.75700 ppm2 4.46500
  OR ( resid 2 and name HB2 )
     ( resid 2 and name HA )
ASSI ( resid 61 and name HA )
     ( resid 64 and name HA )
     6.0 0.1 0.1 peak 1637 weight 1.1 volume 194.04401 ppm1 3.85700 ppm2 4.55600
  OR ( resid 61 and name HA )
     ( resid 29 and name HA )
  OR ( resid 28 and name HA )
     ( resid 64 and name HA )
  OR ( resid 28 and name HA )
     ( resid 29 and name HA )
ASSI ( resid 28 and name HA )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 1638 weight 1.1 volume 91.84970 ppm1 3.85100 ppm2 4.63100
ASSI ( resid 28 and name HA )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 1639 weight 1.1 volume 28.24650 ppm1 3.85200 ppm2 4.68900
ASSI ( resid 17 and name HD1 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 1640 weight 1.1 volume 960.10071 ppm1 3.84600 ppm2 4.89000
  OR ( resid 17 and name HD2 )
     ( resid 16 and name HA )
ASSI ( resid 2 and name HB2 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 1641 weight 1.1 volume 13.32740 ppm1 3.75800 ppm2 4.98400
  OR ( resid 2 and name HB1 )
     ( resid 32 and name HA )
ASSI ( resid 28 and name HA )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 1642 weight 1.1 volume 22.03080 ppm1 3.85600 ppm2 5.19300
ASSI ( attr store1 < 3.64 and attr store1 > 3.6 )
     ( attr store1 < 5.82 and attr store1 > 5.74 )
     6.0 0.1 0.1 peak 1643 volume 66.09430 ppm1 3.62000 ppm2 5.78000
ASSI ( attr store1 < 3.601 and attr store1 > 3.561 )
     ( attr store1 < 5.591 and attr store1 > 5.511 )
     6.0 0.1 0.1 peak 1644 volume 24.10080 ppm1 3.58100 ppm2 5.55100
ASSI ( resid 40 and name HB2 )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 1645 weight 1.1 volume 353.88870 ppm1 3.32500 ppm2 5.55200
ASSI ( resid 46 and name HB2 )
     ( resid 46 and name HA )
     6.0 0.1 0.1 peak 1646 weight 1.1 volume 326.52469 ppm1 3.57300 ppm2 5.46600
ASSI ( resid 46 and name HB1 )
     ( resid 46 and name HA )
     6.0 0.1 0.1 peak 1647 weight 1.1 volume 250.34801 ppm1 3.69400 ppm2 5.46600
ASSI ( attr store1 < 3.604 and attr store1 > 3.564 )
     ( attr store1 < 5.82 and attr store1 > 5.74 )
     6.0 0.1 0.1 peak 1648 volume 38.80400 ppm1 3.58400 ppm2 5.78000
ASSI ( resid 48 and name HB1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 1649 weight 1.1 volume 102.06310 ppm1 3.51100 ppm2 4.92500
ASSI ( resid 48 and name HB1 )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 1650 weight 1.1 volume 182.22240 ppm1 3.51200 ppm2 4.82600
ASSI ( resid 19 and name HB2 )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 1651 weight 1.1 volume 362.00562 ppm1 3.58200 ppm2 4.71700
ASSI ( resid 46 and name HB2 )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 1652 weight 1.1 volume 24.58390 ppm1 3.57400 ppm2 4.63800
ASSI ( resid 25 and name HD1 )
     ( resid 25 and name HA )
     6.0 0.1 0.1 peak 1653 weight 1.1 volume 36.37050 ppm1 3.20900 ppm2 4.66400
  OR ( resid 25 and name HD2 )
     ( resid 25 and name HA )
ASSI ( resid 48 and name HB2 )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 1654 weight 1.1 volume 235.24339 ppm1 3.10800 ppm2 4.82700
ASSI ( resid 48 and name HB2 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 1655 weight 1.1 volume 111.97270 ppm1 3.10800 ppm2 4.92100
ASSI ( attr store1 < 3.139 and attr store1 > 3.099 )
     ( attr store1 < 5.09 and attr store1 > 5.01 )
     6.0 0.1 0.1 peak 1656 volume 37.89410 ppm1 3.11900 ppm2 5.05000
ASSI ( resid 16 and name HB2 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 1657 weight 1.1 volume 332.75940 ppm1 3.25500 ppm2 4.89200
ASSI ( resid 10 and name HB1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 1658 weight 1.1 volume 197.13730 ppm1 3.35700 ppm2 4.92200
ASSI ( resid 32 and name HB1 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 1659 weight 1.1 volume 386.00800 ppm1 3.39400 ppm2 4.98200
ASSI ( resid 10 and name HB1 )
     ( resid 49 and name HA )
     6.0 0.1 0.1 peak 1660 weight 1.1 volume 83.92410 ppm1 3.35700 ppm2 5.05500
ASSI ( resid 54 and name HB )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 1661 weight 1.1 volume 62.29260 ppm1 3.62000 ppm2 4.46600
ASSI ( resid 55 and name HB1 )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 1662 weight 1.1 volume 455.48029 ppm1 3.55900 ppm2 4.46500
ASSI ( resid 55 and name HB2 )
     ( resid 55 and name HA )
     6.0 0.1 0.1 peak 1663 weight 1.1 volume 753.21039 ppm1 3.15500 ppm2 4.46200
ASSI ( resid 19 and name HB1 )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 1664 weight 1.1 volume 414.42041 ppm1 3.03900 ppm2 4.71700
ASSI ( resid 4 and name HB2 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 1665 weight 1.1 volume 459.03000 ppm1 3.07900 ppm2 4.50800
ASSI ( resid 29 and name HB1 )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 1666 weight 1.1 volume 665.28979 ppm1 3.01800 ppm2 4.55800
ASSI ( resid 4 and name HB1 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 1667 weight 1.1 volume 354.62830 ppm1 2.96300 ppm2 4.50400
ASSI ( resid 29 and name HB2 )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 1668 weight 1.1 volume 766.17450 ppm1 2.89800 ppm2 4.55600
ASSI ( attr store1 < 2.998 and attr store1 > 2.958 )
     ( attr store1 < 4.7 and attr store1 > 4.62 )
     6.0 0.1 0.1 peak 1669 volume 34.95830 ppm1 2.97800 ppm2 4.66000
ASSI ( resid 48 and name HB2 )
     ( resid 47 and name HA )
     6.0 0.1 0.1 peak 1670 weight 1.1 volume 40.71350 ppm1 3.10600 ppm2 4.35400
ASSI ( resid 54 and name HB )
     ( resid 54 and name HA )
     6.0 0.1 0.1 peak 1671 weight 1.1 volume 374.96671 ppm1 3.62300 ppm2 4.28600
ASSI ( resid 31 and name HA1 )
     ( resid 31 and name HA2 )
     6.0 0.1 0.1 peak 1672 weight 1.1 volume 1558.66492 ppm1 3.52000 ppm2 4.25900
ASSI ( resid 48 and name HB1 )
     ( resid 47 and name HA )
     6.0 0.1 0.1 peak 1673 weight 1.1 volume 95.34750 ppm1 3.51300 ppm2 4.35700
ASSI ( resid 54 and name HB )
     ( resid 53 and name HA )
     6.0 0.1 0.1 peak 1674 weight 1.1 volume 92.07880 ppm1 3.62300 ppm2 4.22800
ASSI ( resid 54 and name HB )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 1675 weight 1.1 volume 45.87490 ppm1 3.61800 ppm2 4.15100
ASSI ( resid 57 and name HA )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 1676 weight 1.1 volume 15.16990 ppm1 3.58700 ppm2 4.14100
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HD1 )
     6.0 0.1 0.1 peak 1677 weight 1.1 volume 521.98999 ppm1 3.50100 ppm2 4.03700
ASSI ( resid 58 and name HB1 )
     ( resid 58 and name HA )
     6.0 0.1 0.1 peak 1678 weight 1.1 volume 828.75568 ppm1 3.16100 ppm2 4.14200
  OR ( resid 58 and name HB2 )
     ( resid 58 and name HA )
ASSI ( resid 13 and name HD1 )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 1679 weight 1.1 volume 62.67960 ppm1 3.05500 ppm2 4.16100
  OR ( resid 13 and name HD2 )
     ( resid 13 and name HA )
ASSI ( resid 50 and name HB1 )
     ( resid 51 and name HD1 )
     6.0 0.1 0.1 peak 1680 weight 1.1 volume 481.65750 ppm1 3.12600 ppm2 4.03400
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HA )
     6.0 0.1 0.1 peak 1681 weight 1.1 volume 53.90770 ppm1 3.50000 ppm2 3.83400
ASSI ( resid 59 and name HA )
     ( resid 62 and name HA )
     6.0 0.1 0.1 peak 1682 weight 1.1 volume 63.93270 ppm1 3.44400 ppm2 3.91800
ASSI ( resid 16 and name HB2 )
     ( resid 17 and name HD2 )
     6.0 0.1 0.1 peak 1683 weight 1.1 volume 296.81451 ppm1 3.25400 ppm2 3.84900
  OR ( resid 16 and name HB2 )
     ( resid 17 and name HD1 )
ASSI ( resid 61 and name HD2 )
     ( resid 61 and name HA )
     6.0 0.1 0.1 peak 1684 weight 1.1 volume 131.90800 ppm1 3.13200 ppm2 3.87400
  OR ( resid 61 and name HD1 )
     ( resid 61 and name HA )
ASSI ( resid 46 and name HB2 )
     ( resid 46 and name HB1 )
     6.0 0.1 0.1 peak 1685 weight 1.1 volume 897.25989 ppm1 3.57400 ppm2 3.69600
ASSI ( resid 46 and name HB1 )
     ( resid 46 and name HB2 )
     6.0 0.1 0.1 peak 1686 weight 1.1 volume 826.10638 ppm1 3.69300 ppm2 3.57500
ASSI ( resid 9 and name HA1 )
     ( resid 9 and name HA2 )
     6.0 0.1 0.1 peak 1687 weight 1.1 volume 1608.66296 ppm1 3.24600 ppm2 3.62600
ASSI ( resid 55 and name HB2 )
     ( resid 55 and name HB1 )
     6.0 0.1 0.1 peak 1688 weight 1.1 volume 1026.02649 ppm1 3.15700 ppm2 3.56200
ASSI ( resid 19 and name HB1 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 1689 weight 1.1 volume 1319.06262 ppm1 3.04000 ppm2 3.58400
ASSI ( attr store1 < 2.942 and attr store1 > 2.902 )
     ( attr store1 < 3.624 and attr store1 > 3.544 )
     6.0 0.1 0.1 peak 1690 volume 83.77390 ppm1 2.92200 ppm2 3.58400
ASSI ( resid 48 and name HB2 )
     ( resid 48 and name HB1 )
     6.0 0.1 0.1 peak 1691 weight 1.1 volume 1121.71289 ppm1 3.10700 ppm2 3.50900
ASSI ( resid 57 and name HE1 )
     ( resid 54 and name HA )
     6.0 0.1 0.1 peak 1692 weight 1.1 volume 202.60550 ppm1 2.79700 ppm2 3.62300
  OR ( resid 57 and name HE2 )
     ( resid 54 and name HA )
ASSI ( resid 19 and name HB2 )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 1693 weight 1.1 volume 999.14941 ppm1 3.58100 ppm2 3.04200
ASSI ( resid 48 and name HB1 )
     ( resid 48 and name HB2 )
     6.0 0.1 0.1 peak 1694 weight 1.1 volume 821.93707 ppm1 3.50200 ppm2 3.11400
ASSI ( resid 55 and name HB1 )
     ( resid 55 and name HB2 )
     6.0 0.1 0.1 peak 1695 weight 1.1 volume 785.93079 ppm1 3.56100 ppm2 3.15800
  OR ( resid 55 and name HB1 )
     ( resid 58 and name HB1 )
ASSI ( resid 9 and name HA2 )
     ( resid 9 and name HA1 )
     6.0 0.1 0.1 peak 1696 weight 1.1 volume 1092.84570 ppm1 3.62800 ppm2 3.25100
ASSI ( resid 9 and name HA2 )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 1697 weight 1.1 volume 96.46290 ppm1 3.62000 ppm2 2.79900
ASSI ( resid 48 and name HB1 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 1698 weight 1.1 volume 101.63900 ppm1 3.50700 ppm2 2.84500
ASSI ( resid 32 and name HB1 )
     ( resid 6 and name HB2 )
     6.0 0.1 0.1 peak 1699 weight 1.1 volume 112.02660 ppm1 3.39400 ppm2 2.70900
ASSI ( resid 51 and name HD2 )
     ( resid 50 and name HB2 )
     6.0 0.1 0.1 peak 1700 weight 1.1 volume 94.26900 ppm1 3.50000 ppm2 2.72700
ASSI ( resid 10 and name HB1 )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 1701 weight 1.1 volume 501.43530 ppm1 3.35700 ppm2 2.80700
ASSI ( resid 32 and name HB1 )
     ( resid 6 and name HB1 )
     6.0 0.1 0.1 peak 1702 weight 1.1 volume 96.22160 ppm1 3.40500 ppm2 2.86100
ASSI ( resid 40 and name HB2 )
     ( resid 40 and name HB1 )
     6.0 0.1 0.1 peak 1703 weight 1.1 volume 886.67151 ppm1 3.32500 ppm2 2.86700
ASSI ( resid 16 and name HB2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 1704 weight 1.1 volume 862.80182 ppm1 3.25600 ppm2 2.94200
ASSI ( resid 48 and name HB2 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 1705 weight 1.1 volume 183.84090 ppm1 3.11000 ppm2 2.84400
ASSI ( resid 50 and name HB1 )
     ( resid 50 and name HB2 )
     6.0 0.1 0.1 peak 1706 weight 1.1 volume 295.81201 ppm1 3.11300 ppm2 2.72800
ASSI ( resid 32 and name HB1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 1707 weight 1.1 volume 807.30933 ppm1 3.39500 ppm2 2.56900
ASSI ( resid 39 and name HB1 )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 1708 weight 1.1 volume 103.15160 ppm1 3.01400 ppm2 2.02800
ASSI ( resid 59 and name HA )
     ( resid 59 and name HG12 )
     6.0 0.1 0.1 peak 1709 weight 1.1 volume 232.70580 ppm1 3.44300 ppm2 2.21600
ASSI ( resid 55 and name HB2 )
     ( resid 59 and name HG12 )
     6.0 0.1 0.1 peak 1710 weight 1.1 volume 40.68050 ppm1 3.16100 ppm2 2.21400
ASSI ( attr store1 < 3.41 and attr store1 > 3.37 )
     ( attr store1 < 2.276 and attr store1 > 2.196 )
     6.0 0.1 0.1 peak 1711 volume 61.77330 ppm1 3.39000 ppm2 2.23600
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 1712 weight 1.1 volume 37.41640 ppm1 3.50300 ppm2 2.07700
ASSI ( resid 59 and name HA )
     ( resid 59 and name HB )
     6.0 0.1 0.1 peak 1713 weight 1.1 volume 184.01460 ppm1 3.44300 ppm2 1.83800
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HG1 )
     6.0 0.1 0.1 peak 1714 weight 1.1 volume 191.84520 ppm1 3.50300 ppm2 1.71400
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 1715 weight 1.1 volume 97.02870 ppm1 3.50300 ppm2 1.77700
ASSI ( resid 57 and name HA )
     ( resid 57 and name HB1 )
     6.0 0.1 0.1 peak 1716 weight 1.1 volume 563.32751 ppm1 3.58700 ppm2 1.71900
  OR ( resid 57 and name HA )
     ( resid 57 and name HB2 )
ASSI ( resid 54 and name HA )
     ( resid 57 and name HB2 )
     6.0 0.1 0.1 peak 1717 weight 1.1 volume 604.95239 ppm1 3.62000 ppm2 1.71500
  OR ( resid 54 and name HA )
     ( resid 57 and name HB1 )
ASSI ( resid 61 and name HD2 )
     ( resid 61 and name HB2 )
     6.0 0.1 0.1 peak 1718 weight 1.1 volume 274.96429 ppm1 3.13400 ppm2 1.85000
  OR ( resid 61 and name HD1 )
     ( resid 61 and name HB2 )
ASSI ( resid 61 and name HD1 )
     ( resid 61 and name HB1 )
     6.0 0.1 0.1 peak 1719 weight 1.1 volume 276.72061 ppm1 3.13300 ppm2 1.78400
  OR ( resid 61 and name HD2 )
     ( resid 61 and name HB1 )
ASSI ( resid 25 and name HD1 )
     ( resid 25 and name HB1 )
     6.0 0.1 0.1 peak 1720 weight 1.1 volume 1203.93848 ppm1 3.20600 ppm2 1.69500
  OR ( resid 25 and name HD1 )
     ( resid 25 and name HB2 )
  OR ( resid 25 and name HD2 )
     ( resid 25 and name HB1 )
  OR ( resid 25 and name HD2 )
     ( resid 25 and name HB2 )
ASSI ( resid 61 and name HD2 )
     ( resid 61 and name HG1 )
     6.0 0.1 0.1 peak 1721 weight 1.1 volume 837.02222 ppm1 3.12699 ppm2 1.68406
  OR ( resid 61 and name HD2 )
     ( resid 57 and name HB1 )
  OR ( resid 61 and name HD1 )
     ( resid 61 and name HG1 )
  OR ( resid 61 and name HD1 )
     ( resid 57 and name HB1 )
ASSI ( resid 59 and name HA )
     ( resid 62 and name HB2 )
     6.0 0.1 0.1 peak 1722 weight 1.1 volume 332.94431 ppm1 3.44300 ppm2 1.58500
  OR ( resid 59 and name HA )
     ( resid 62 and name HB1 )
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HG2 )
     6.0 0.1 0.1 peak 1723 weight 1.1 volume 111.38350 ppm1 3.49700 ppm2 1.58100
ASSI ( resid 59 and name HA )
     ( resid 62 and name HG )
     6.0 0.1 0.1 peak 1724 weight 1.1 volume 60.45010 ppm1 3.44300 ppm2 1.46100
ASSI ( resid 39 and name HB1 )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 1725 weight 1.1 volume 126.16600 ppm1 3.01900 ppm2 1.16600
ASSI ( resid 50 and name HB1 )
     ( resid 51 and name HG2 )
     6.0 0.1 0.1 peak 1726 weight 1.1 volume 117.00160 ppm1 3.12800 ppm2 1.57700
ASSI ( resid 13 and name HD1 )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 1727 weight 1.1 volume 266.91959 ppm1 3.06500 ppm2 1.57400
  OR ( resid 13 and name HD1 )
     ( resid 13 and name HB2 )
  OR ( resid 13 and name HD2 )
     ( resid 13 and name HB1 )
  OR ( resid 13 and name HD2 )
     ( resid 13 and name HB2 )
ASSI ( resid 13 and name HD1 )
     ( resid 13 and name HG1 )
     6.0 0.1 0.1 peak 1728 weight 1.1 volume 554.04852 ppm1 3.05600 ppm2 1.49000
  OR ( resid 13 and name HD1 )
     ( resid 13 and name HG2 )
  OR ( resid 13 and name HD2 )
     ( resid 13 and name HG1 )
  OR ( resid 13 and name HD2 )
     ( resid 13 and name HG2 )
ASSI ( resid 61 and name HD1 )
     ( resid 61 and name HG2 )
     6.0 0.1 0.1 peak 1729 weight 1.1 volume 577.04968 ppm1 3.12900 ppm2 1.48600
  OR ( resid 61 and name HD2 )
     ( resid 61 and name HG2 )
ASSI ( resid 25 and name HD2 )
     ( resid 25 and name HG1 )
     6.0 0.1 0.1 peak 1730 weight 1.1 volume 343.84790 ppm1 3.20500 ppm2 1.43200
  OR ( resid 25 and name HD2 )
     ( resid 25 and name HG2 )
  OR ( resid 25 and name HD1 )
     ( resid 25 and name HG1 )
  OR ( resid 25 and name HD1 )
     ( resid 25 and name HG2 )
ASSI ( resid 57 and name HA )
     ( resid 57 and name HG1 )
     6.0 0.1 0.1 peak 1731 weight 1.1 volume 302.00159 ppm1 3.58500 ppm2 1.45100
ASSI ( resid 54 and name HB )
     ( resid 57 and name HG1 )
     6.0 0.1 0.1 peak 1732 weight 1.1 volume 316.46991 ppm1 3.62400 ppm2 1.45300
ASSI ( resid 54 and name HB )
     ( resid 57 and name HD2 )
     6.0 0.1 0.1 peak 1733 weight 1.1 volume 71.46250 ppm1 3.62000 ppm2 1.52700
ASSI ( resid 48 and name HB1 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 1734 weight 1.1 volume 89.55900 ppm1 3.50500 ppm2 1.35700
  OR ( resid 48 and name HB1 )
     ( resid 52 and name HG1 )
  OR ( resid 51 and name HD2 )
     ( resid 36 and name HB1 )
  OR ( resid 51 and name HD2 )
     ( resid 52 and name HG1 )
ASSI ( resid 19 and name HB2 )
     ( resid 41 and name HG21 )
     6.0 0.1 0.1 peak 1735 weight 1.1 volume 58.52940 ppm1 3.58200 ppm2 1.17100
ASSI ( resid 57 and name HA )
     ( resid 57 and name HG2 )
     6.0 0.1 0.1 peak 1736 weight 1.1 volume 257.70660 ppm1 3.58300 ppm2 1.23200
ASSI ( resid 54 and name HA )
     ( resid 54 and name HG21 )
     6.0 0.1 0.1 peak 1737 weight 1.1 volume 633.99042 ppm1 3.62400 ppm2 1.23500
  OR ( resid 54 and name HA )
     ( resid 57 and name HG2 )
ASSI ( resid 48 and name HB2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 1738 weight 1.1 volume 138.06090 ppm1 3.10900 ppm2 1.35700
ASSI ( resid 61 and name HD1 )
     ( resid 57 and name HG2 )
     6.0 0.1 0.1 peak 1739 weight 1.1 volume 140.72639 ppm1 3.15056 ppm2 1.23443
  OR ( resid 61 and name HD1 )
     ( resid 54 and name HG21 )
  OR ( resid 58 and name HB2 )
     ( resid 57 and name HG2 )
  OR ( resid 58 and name HB2 )
     ( resid 54 and name HG21 )
ASSI ( resid 13 and name HD1 )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 1740 weight 1.1 volume 45.82640 ppm1 3.07200 ppm2 1.16600
ASSI ( resid 59 and name HA )
     ( resid 59 and name HG11 )
     6.0 0.1 0.1 peak 1741 weight 1.1 volume 208.27029 ppm1 3.44200 ppm2 0.90900
ASSI ( resid 59 and name HA )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1742 weight 1.1 volume 389.04059 ppm1 3.44200 ppm2 0.71000
  OR ( resid 59 and name HA )
     ( resid 62 and name HD11 )
  OR ( resid 59 and name HA )
     ( resid 62 and name HD21 )
ASSI ( resid 59 and name HA )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1743 weight 1.1 volume 422.32309 ppm1 3.44200 ppm2 0.63300
ASSI ( resid 40 and name HB2 )
     ( resid 21 and name HG21 )
     6.0 0.1 0.1 peak 1744 weight 1.1 volume 104.86300 ppm1 3.32600 ppm2 0.72200
ASSI ( resid 25 and name HD1 )
     ( resid 27 and name HD11 )
     6.0 0.1 0.1 peak 1745 weight 1.1 volume 172.38029 ppm1 3.21300 ppm2 0.81400
  OR ( resid 25 and name HD2 )
     ( resid 27 and name HD11 )
ASSI ( resid 55 and name HB2 )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1746 weight 1.1 volume 39.25280 ppm1 3.15300 ppm2 0.70300
ASSI ( attr store1 < 3.057 and attr store1 > 3.017 )
     ( attr store1 < 0.771 and attr store1 > 0.691 )
     6.0 0.1 0.1 peak 1747 volume 64.82520 ppm1 3.03700 ppm2 0.73100
ASSI ( resid 25 and name HD2 )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 1748 weight 1.1 volume 56.48070 ppm1 3.20000 ppm2 0.53100
  OR ( resid 25 and name HD1 )
     ( resid 37 and name HD11 )
ASSI ( resid 46 and name HB1 )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 1749 weight 1.1 volume 233.89371 ppm1 3.69300 ppm2 0.52300
ASSI ( resid 46 and name HB2 )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 1750 weight 1.1 volume 372.47610 ppm1 3.57200 ppm2 0.52100
ASSI ( resid 57 and name HA )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 1751 weight 1.1 volume 160.31520 ppm1 3.58600 ppm2 0.34300
ASSI ( resid 57 and name HA )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 1752 weight 1.1 volume 220.10699 ppm1 3.58900 ppm2 0.28600
ASSI ( resid 9 and name HA2 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 1753 weight 1.1 volume 88.08970 ppm1 3.62900 ppm2 0.17000
ASSI ( resid 55 and name HB1 )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 1754 weight 1.1 volume 102.23060 ppm1 3.56000 ppm2 0.06500
ASSI ( resid 9 and name HA1 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 1755 weight 1.1 volume 185.97009 ppm1 3.24800 ppm2 0.17200
ASSI ( resid 55 and name HB2 )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 1756 weight 1.1 volume 110.03550 ppm1 3.15700 ppm2 0.06300
ASSI ( resid 56 and name HA )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 1757 weight 1.1 volume 447.84689 ppm1 2.88300 ppm2 -0.56000
ASSI ( resid 60 and name HA )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1758 weight 1.1 volume 177.03520 ppm1 2.92500 ppm2 -0.38200
  OR ( resid 23 and name HB1 )
     ( resid 37 and name HG21 )
ASSI ( resid 23 and name HB2 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1759 weight 1.1 volume 227.79250 ppm1 2.63100 ppm2 -0.38200
ASSI ( resid 39 and name HB1 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1760 weight 1.1 volume 136.55450 ppm1 3.01800 ppm2 0.35600
ASSI ( resid 60 and name HA )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 1761 weight 1.1 volume 704.77570 ppm1 2.92300 ppm2 0.28000
ASSI ( resid 60 and name HA )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 1762 weight 1.1 volume 743.62738 ppm1 2.92300 ppm2 0.34200
ASSI ( resid 6 and name HB1 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 1763 weight 1.1 volume 77.88750 ppm1 2.84467 ppm2 0.17079
  OR ( resid 7 and name HB1 )
     ( resid 34 and name HD11 )
ASSI ( resid 56 and name HA )
     ( resid 56 and name HG21 )
     6.0 0.1 0.1 peak 1764 weight 1.1 volume 401.41690 ppm1 2.87300 ppm2 0.30900
ASSI ( resid 60 and name HA )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 1765 weight 1.1 volume 22.76350 ppm1 2.92300 ppm2 0.53300
ASSI ( resid 56 and name HA )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1766 weight 1.1 volume 38.36530 ppm1 2.87400 ppm2 0.63500
ASSI ( resid 60 and name HA )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1767 weight 1.1 volume 117.12330 ppm1 2.92300 ppm2 0.63400
ASSI ( attr store1 < 2.961 and attr store1 > 2.921 )
     ( attr store1 < 0.759 and attr store1 > 0.679 )
     6.0 0.1 0.1 peak 1768 volume 68.93470 ppm1 2.94100 ppm2 0.71900
ASSI ( resid 56 and name HA )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1769 weight 1.1 volume 199.57310 ppm1 2.88500 ppm2 0.72000
ASSI ( attr store1 < 2.865 and attr store1 > 2.825 )
     ( attr store1 < 0.773 and attr store1 > 0.693 )
     6.0 0.1 0.1 peak 1770 volume 123.64960 ppm1 2.84500 ppm2 0.73300
ASSI ( attr store1 < 2.803 and attr store1 > 2.763 )
     ( attr store1 < 0.734 and attr store1 > 0.654 )
     6.0 0.1 0.1 peak 1771 volume 43.28480 ppm1 2.78300 ppm2 0.69400
ASSI ( resid 33 and name HB2 )
     ( resid 34 and name HG21 )
     6.0 0.1 0.1 peak 1772 weight 1.1 volume 290.72980 ppm1 2.73400 ppm2 0.68900
  OR ( resid 33 and name HB1 )
     ( resid 34 and name HG21 )
ASSI ( attr store1 < 2.731 and attr store1 > 2.691 )
     ( attr store1 < 0.785 and attr store1 > 0.705 )
     6.0 0.1 0.1 peak 1773 volume 147.59399 ppm1 2.71100 ppm2 0.74500
ASSI ( resid 6 and name HB2 )
     ( resid 34 and name HG11 )
     6.0 0.1 0.1 peak 1774 weight 1.1 volume 340.05981 ppm1 2.72900 ppm2 0.83600
  OR ( resid 6 and name HB2 )
     ( resid 18 and name HG2 )
  OR ( resid 18 and name HE2 )
     ( resid 34 and name HG11 )
  OR ( resid 18 and name HE2 )
     ( resid 18 and name HG2 )
  OR ( resid 18 and name HE1 )
     ( resid 34 and name HG11 )
  OR ( resid 18 and name HE1 )
     ( resid 18 and name HG2 )
ASSI ( resid 39 and name HB2 )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 1775 weight 1.1 volume 28.48460 ppm1 2.78900 ppm2 0.86200
ASSI ( attr store1 < 2.859 and attr store1 > 2.819 )
     ( attr store1 < 0.898 and attr store1 > 0.818 )
     6.0 0.1 0.1 peak 1776 volume 79.26870 ppm1 2.83900 ppm2 0.85800
ASSI ( attr store1 < 2.943 and attr store1 > 2.903 )
     ( attr store1 < 0.935 and attr store1 > 0.855 )
     6.0 0.1 0.1 peak 1777 volume 460.21509 ppm1 2.92300 ppm2 0.89500
ASSI ( resid 39 and name HB1 )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 1778 weight 1.1 volume 75.92480 ppm1 3.02000 ppm2 0.86200
ASSI ( resid 39 and name HB1 )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 1779 weight 1.1 volume 133.43880 ppm1 3.01900 ppm2 0.95600
  OR ( resid 39 and name HB1 )
     ( resid 47 and name HG21 )
ASSI ( resid 39 and name HB2 )
     ( resid 47 and name HG21 )
     6.0 0.1 0.1 peak 1780 weight 1.1 volume 63.06650 ppm1 2.79600 ppm2 0.95500
  OR ( resid 39 and name HB2 )
     ( resid 20 and name HG12 )
ASSI ( resid 18 and name HE1 )
     ( resid 18 and name HG1 )
     6.0 0.1 0.1 peak 1781 weight 1.1 volume 99.29670 ppm1 2.72900 ppm2 0.97300
  OR ( resid 18 and name HE2 )
     ( resid 18 and name HG1 )
ASSI ( resid 39 and name HB1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1782 weight 1.1 volume 177.62131 ppm1 3.01700 ppm2 1.04800
ASSI ( attr store1 < 2.958 and attr store1 > 2.918 )
     ( attr store1 < 1.086 and attr store1 > 1.006 )
     6.0 0.1 0.1 peak 1783 volume 64.22540 ppm1 2.93800 ppm2 1.04600
ASSI ( attr store1 < 2.888 and attr store1 > 2.848 )
     ( attr store1 < 1.084 and attr store1 > 1.004 )
     6.0 0.1 0.1 peak 1784 volume 13.50900 ppm1 2.86800 ppm2 1.04400
ASSI ( resid 39 and name HB2 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1785 weight 1.1 volume 87.16400 ppm1 2.79700 ppm2 1.04600
ASSI ( resid 35 and name HB1 )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 1786 weight 1.1 volume 150.66280 ppm1 2.73600 ppm2 1.08900
  OR ( resid 35 and name HB2 )
     ( resid 28 and name HB1 )
ASSI ( resid 39 and name HB2 )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 1787 weight 1.1 volume 124.52530 ppm1 2.79100 ppm2 1.17000
ASSI ( resid 57 and name HE1 )
     ( resid 57 and name HG2 )
     6.0 0.1 0.1 peak 1788 weight 1.1 volume 259.32761 ppm1 2.79000 ppm2 1.23400
  OR ( resid 57 and name HE2 )
     ( resid 57 and name HG2 )
ASSI ( resid 56 and name HA )
     ( resid 49 and name HB1 )
     6.0 0.1 0.1 peak 1789 weight 1.1 volume 66.88310 ppm1 2.88100 ppm2 1.23900
  OR ( resid 56 and name HA )
     ( resid 57 and name HG2 )
ASSI ( resid 52 and name HE2 )
     ( resid 52 and name HG2 )
     6.0 0.1 0.1 peak 1790 weight 1.1 volume 136.34441 ppm1 2.95200 ppm2 1.24700
  OR ( resid 52 and name HE1 )
     ( resid 52 and name HG2 )
ASSI ( resid 44 and name HE2 )
     ( resid 44 and name HG2 )
     6.0 0.1 0.1 peak 1791 weight 1.1 volume 269.58350 ppm1 2.95900 ppm2 1.30400
  OR ( resid 44 and name HE2 )
     ( resid 44 and name HG1 )
  OR ( resid 44 and name HE1 )
     ( resid 44 and name HG2 )
  OR ( resid 44 and name HE1 )
     ( resid 44 and name HG1 )
ASSI ( attr store1 < 2.857 and attr store1 > 2.817 )
     ( attr store1 < 1.395 and attr store1 > 1.315 )
     6.0 0.1 0.1 peak 1792 volume 183.89110 ppm1 2.83700 ppm2 1.35500
ASSI ( attr store1 < 2.742 and attr store1 > 2.702 )
     ( attr store1 < 1.395 and attr store1 > 1.315 )
     6.0 0.1 0.1 peak 1793 volume 259.33069 ppm1 2.72200 ppm2 1.35500
ASSI ( attr store1 < 2.948 and attr store1 > 2.908 )
     ( attr store1 < 1.473 and attr store1 > 1.393 )
     6.0 0.1 0.1 peak 1794 volume 166.44130 ppm1 2.92800 ppm2 1.43300
ASSI ( attr store1 < 2.942 and attr store1 > 2.902 )
     ( attr store1 < 1.521 and attr store1 > 1.441 )
     6.0 0.1 0.1 peak 1795 volume 330.36551 ppm1 2.92200 ppm2 1.48100
ASSI ( resid 57 and name HE2 )
     ( resid 57 and name HG1 )
     6.0 0.1 0.1 peak 1796 weight 1.1 volume 219.77870 ppm1 2.79600 ppm2 1.45900
  OR ( resid 57 and name HE1 )
     ( resid 57 and name HG1 )
ASSI ( resid 18 and name HE2 )
     ( resid 18 and name HD1 )
     6.0 0.1 0.1 peak 1797 weight 1.1 volume 376.94470 ppm1 2.71400 ppm2 1.42600
  OR ( resid 18 and name HE2 )
     ( resid 18 and name HD2 )
  OR ( resid 18 and name HE1 )
     ( resid 18 and name HD1 )
  OR ( resid 18 and name HE1 )
     ( resid 18 and name HD2 )
ASSI ( resid 35 and name HB2 )
     ( resid 51 and name HG2 )
     6.0 0.1 0.1 peak 1798 weight 1.1 volume 282.99780 ppm1 2.73100 ppm2 1.58200
  OR ( resid 35 and name HB1 )
     ( resid 51 and name HG2 )
  OR ( resid 50 and name HB2 )
     ( resid 51 and name HG2 )
ASSI ( resid 43 and name HE2 )
     ( resid 43 and name HB2 )
     6.0 0.1 0.1 peak 1799 weight 1.1 volume 495.22241 ppm1 2.89000 ppm2 1.63500
  OR ( resid 43 and name HE1 )
     ( resid 43 and name HB2 )
ASSI ( resid 52 and name HE1 )
     ( resid 52 and name HD2 )
     6.0 0.1 0.1 peak 1800 weight 1.1 volume 1315.01367 ppm1 2.94200 ppm2 1.64300
  OR ( resid 52 and name HE1 )
     ( resid 44 and name HD2 )
  OR ( resid 52 and name HE1 )
     ( resid 44 and name HD1 )
  OR ( resid 52 and name HE1 )
     ( resid 68 and name HD2 )
  OR ( resid 52 and name HE1 )
     ( resid 66 and name HD2 )
  OR ( resid 44 and name HE2 )
     ( resid 52 and name HD2 )
  OR ( resid 44 and name HE2 )
     ( resid 44 and name HD2 )
  OR ( resid 44 and name HE2 )
     ( resid 44 and name HD1 )
  OR ( resid 44 and name HE2 )
     ( resid 68 and name HD2 )
  OR ( resid 44 and name HE2 )
     ( resid 66 and name HD2 )
  OR ( resid 44 and name HE1 )
     ( resid 52 and name HD2 )
  OR ( resid 44 and name HE1 )
     ( resid 44 and name HD2 )
  OR ( resid 44 and name HE1 )
     ( resid 44 and name HD1 )
  OR ( resid 44 and name HE1 )
     ( resid 68 and name HD2 )
  OR ( resid 44 and name HE1 )
     ( resid 66 and name HD2 )
  OR ( resid 68 and name HE1 )
     ( resid 52 and name HD2 )
  OR ( resid 68 and name HE1 )
     ( resid 44 and name HD2 )
  OR ( resid 68 and name HE1 )
     ( resid 44 and name HD1 )
  OR ( resid 68 and name HE1 )
     ( resid 68 and name HD2 )
  OR ( resid 68 and name HE1 )
     ( resid 66 and name HD2 )
  OR ( resid 66 and name HE1 )
     ( resid 52 and name HD2 )
  OR ( resid 66 and name HE1 )
     ( resid 44 and name HD2 )
  OR ( resid 66 and name HE1 )
     ( resid 44 and name HD1 )
  OR ( resid 66 and name HE1 )
     ( resid 68 and name HD2 )
  OR ( resid 66 and name HE1 )
     ( resid 66 and name HD2 )
ASSI ( resid 35 and name HB2 )
     ( resid 51 and name HG1 )
     6.0 0.1 0.1 peak 1801 weight 1.1 volume 761.05487 ppm1 2.73600 ppm2 1.70600
  OR ( resid 35 and name HB1 )
     ( resid 51 and name HG1 )
ASSI ( attr store1 < 2.824 and attr store1 > 2.784 )
     ( attr store1 < 1.742 and attr store1 > 1.662 )
     6.0 0.1 0.1 peak 1802 volume 311.18961 ppm1 2.80400 ppm2 1.70200
ASSI ( resid 50 and name HB2 )
     ( resid 56 and name HB )
     6.0 0.1 0.1 peak 1803 weight 1.1 volume 97.10910 ppm1 2.73400 ppm2 1.77700
  OR ( resid 50 and name HB2 )
     ( resid 51 and name HB2 )
  OR ( resid 35 and name HB2 )
     ( resid 56 and name HB )
  OR ( resid 35 and name HB2 )
     ( resid 51 and name HB2 )
  OR ( resid 35 and name HB1 )
     ( resid 56 and name HB )
  OR ( resid 35 and name HB1 )
     ( resid 51 and name HB2 )
ASSI ( resid 60 and name HA )
     ( resid 60 and name HB )
     6.0 0.1 0.1 peak 1804 weight 1.1 volume 644.99658 ppm1 2.92300 ppm2 1.73800
  OR ( resid 60 and name HA )
     ( resid 63 and name HB2 )
ASSI ( resid 23 and name HB1 )
     ( resid 63 and name HB1 )
     6.0 0.1 0.1 peak 1805 weight 1.1 volume 296.05679 ppm1 2.92300 ppm2 1.94100
  OR ( resid 60 and name HA )
     ( resid 63 and name HB1 )
ASSI ( attr store1 < 2.9 and attr store1 > 2.86 )
     ( attr store1 < 1.87 and attr store1 > 1.79 )
     6.0 0.1 0.1 peak 1806 volume 129.46831 ppm1 2.88000 ppm2 1.83000
ASSI ( attr store1 < 2.752 and attr store1 > 2.712 )
     ( attr store1 < 1.943 and attr store1 > 1.863 )
     6.0 0.1 0.1 peak 1807 volume 122.09540 ppm1 2.73200 ppm2 1.90300
ASSI ( attr store1 < 2.943 and attr store1 > 2.903 )
     ( attr store1 < 1.893 and attr store1 > 1.813 )
     6.0 0.1 0.1 peak 1808 volume 308.86691 ppm1 2.92300 ppm2 1.85300
ASSI ( resid 39 and name HB2 )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 1809 weight 1.1 volume 108.33420 ppm1 2.79000 ppm2 2.03000
ASSI ( attr store1 < 2.755 and attr store1 > 2.715 )
     ( attr store1 < 2.105 and attr store1 > 2.025 )
     6.0 0.1 0.1 peak 1810 volume 39.85230 ppm1 2.73500 ppm2 2.06500
ASSI ( resid 56 and name HA )
     ( resid 59 and name HG12 )
     6.0 0.1 0.1 peak 1811 weight 1.1 volume 86.02750 ppm1 2.88500 ppm2 2.21600
ASSI ( resid 50 and name HB2 )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 1812 weight 1.1 volume 124.25030 ppm1 2.72205 ppm2 2.21821
  OR ( resid 50 and name HB1 )
     ( resid 53 and name HG2 )
ASSI ( resid 23 and name HB1 )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 1813 weight 1.1 volume 412.93091 ppm1 2.93800 ppm2 2.63200
ASSI ( resid 5 and name HB2 )
     ( resid 5 and name HB1 )
     6.0 0.1 0.1 peak 1814 weight 1.1 volume 2814.70239 ppm1 2.70800 ppm2 2.57300
  OR ( resid 5 and name HB2 )
     ( resid 32 and name HB2 )
  OR ( resid 6 and name HB2 )
     ( resid 5 and name HB1 )
  OR ( resid 6 and name HB2 )
     ( resid 32 and name HB2 )
ASSI ( resid 39 and name HB1 )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 1815 weight 1.1 volume 463.03448 ppm1 3.01800 ppm2 2.79100
ASSI ( resid 39 and name HB2 )
     ( resid 39 and name HB1 )
     6.0 0.1 0.1 peak 1816 weight 1.1 volume 876.12262 ppm1 2.79200 ppm2 3.01300
ASSI ( resid 7 and name HB1 )
     ( resid 48 and name HB2 )
     6.0 0.1 0.1 peak 1817 weight 1.1 volume 283.98151 ppm1 2.84800 ppm2 3.11600
ASSI ( resid 16 and name HB1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 1818 weight 1.1 volume 1014.30780 ppm1 2.94300 ppm2 3.25400
ASSI ( resid 40 and name HB1 )
     ( resid 40 and name HB2 )
     6.0 0.1 0.1 peak 1819 weight 1.1 volume 1185.56140 ppm1 2.87100 ppm2 3.32800
ASSI ( resid 10 and name HB2 )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 1820 weight 1.1 volume 639.17462 ppm1 2.80500 ppm2 3.35400
ASSI ( attr store1 < 2.733 and attr store1 > 2.693 )
     ( attr store1 < 3.427 and attr store1 > 3.347 )
     6.0 0.1 0.1 peak 1821 volume 176.21629 ppm1 2.71300 ppm2 3.38700
ASSI ( resid 7 and name HB1 )
     ( resid 48 and name HB1 )
     6.0 0.1 0.1 peak 1822 weight 1.1 volume 109.62230 ppm1 2.85100 ppm2 3.51400
ASSI ( resid 50 and name HB2 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1823 weight 1.1 volume 194.06940 ppm1 2.72900 ppm2 3.50900
  OR ( resid 35 and name HB2 )
     ( resid 51 and name HD2 )
ASSI ( resid 16 and name HB1 )
     ( resid 17 and name HD2 )
     6.0 0.1 0.1 peak 1824 weight 1.1 volume 273.67410 ppm1 2.93800 ppm2 3.84900
  OR ( resid 16 and name HB1 )
     ( resid 17 and name HD1 )
ASSI ( attr store1 < 2.957 and attr store1 > 2.917 )
     ( attr store1 < 4.299 and attr store1 > 4.219 )
     6.0 0.1 0.1 peak 1825 volume 54.65710 ppm1 2.93700 ppm2 4.25900
ASSI ( resid 57 and name HE1 )
     ( resid 52 and name HA )
     6.0 0.1 0.1 peak 1826 weight 1.1 volume 217.36971 ppm1 2.79100 ppm2 3.95300
  OR ( resid 57 and name HE2 )
     ( resid 52 and name HA )
ASSI ( resid 50 and name HB2 )
     ( resid 51 and name HD1 )
     6.0 0.1 0.1 peak 1827 weight 1.1 volume 32.37710 ppm1 2.73300 ppm2 4.03800
  OR ( resid 50 and name HB1 )
     ( resid 51 and name HD1 )
ASSI ( attr store1 < 2.95 and attr store1 > 2.91 )
     ( attr store1 < 4.117 and attr store1 > 4.037 )
     6.0 0.1 0.1 peak 1828 volume 30.95620 ppm1 2.93000 ppm2 4.07700
ASSI ( attr store1 < 2.975 and attr store1 > 2.935 )
     ( attr store1 < 3.991 and attr store1 > 3.911 )
     6.0 0.1 0.1 peak 1829 volume 52.81050 ppm1 2.95500 ppm2 3.95100
ASSI ( resid 43 and name HE1 )
     ( resid 43 and name HA )
     6.0 0.1 0.1 peak 1830 weight 1.1 volume 40.26510 ppm1 2.92300 ppm2 4.36100
  OR ( resid 43 and name HE1 )
     ( resid 24 and name HA )
  OR ( resid 23 and name HB1 )
     ( resid 43 and name HA )
  OR ( resid 23 and name HB1 )
     ( resid 24 and name HA )
ASSI ( resid 6 and name HB1 )
     ( resid 6 and name HA )
     6.0 0.1 0.1 peak 1831 weight 1.1 volume 528.18488 ppm1 2.86600 ppm2 4.41200
ASSI ( resid 6 and name HB2 )
     ( resid 6 and name HA )
     6.0 0.1 0.1 peak 1832 weight 1.1 volume 476.94211 ppm1 2.70800 ppm2 4.41200
  OR ( resid 7 and name HB2 )
     ( resid 6 and name HA )
ASSI ( attr store1 < 2.716 and attr store1 > 2.676 )
     ( attr store1 < 4.545 and attr store1 > 4.465 )
     6.0 0.1 0.1 peak 1833 volume 50.49170 ppm1 2.69600 ppm2 4.50500
ASSI ( attr store1 < 2.857 and attr store1 > 2.817 )
     ( attr store1 < 4.544 and attr store1 > 4.464 )
     6.0 0.1 0.1 peak 1834 volume 51.20570 ppm1 2.83700 ppm2 4.50400
ASSI ( resid 29 and name HB2 )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 1835 weight 1.1 volume 51.32520 ppm1 2.90400 ppm2 4.50000
ASSI ( attr store1 < 2.828 and attr store1 > 2.788 )
     ( attr store1 < 4.546 and attr store1 > 4.466 )
     6.0 0.1 0.1 peak 1836 volume 27.53760 ppm1 2.80800 ppm2 4.50600
ASSI ( attr store1 < 2.603 and attr store1 > 2.563 )
     ( attr store1 < 4.454 and attr store1 > 4.374 )
     6.0 0.1 0.1 peak 1837 volume 34.26300 ppm1 2.58300 ppm2 4.41400
ASSI ( attr store1 < 2.606 and attr store1 > 2.566 )
     ( attr store1 < 4.545 and attr store1 > 4.465 )
     6.0 0.1 0.1 peak 1838 volume 20.75630 ppm1 2.58600 ppm2 4.50500
ASSI ( resid 5 and name HB1 )
     ( resid 5 and name HA )
     6.0 0.1 0.1 peak 1839 weight 1.1 volume 492.94211 ppm1 2.57000 ppm2 4.60600
  OR ( resid 32 and name HB2 )
     ( resid 5 and name HA )
ASSI ( resid 5 and name HB2 )
     ( resid 5 and name HA )
     6.0 0.1 0.1 peak 1840 weight 1.1 volume 445.80688 ppm1 2.71100 ppm2 4.60100
ASSI ( resid 7 and name HB2 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 1841 weight 1.1 volume 174.71440 ppm1 2.71000 ppm2 4.56500
ASSI ( resid 7 and name HB1 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 1842 weight 1.1 volume 449.90601 ppm1 2.85600 ppm2 4.56700
ASSI ( resid 33 and name HB2 )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 1843 weight 1.1 volume 1243.07800 ppm1 2.74300 ppm2 4.63300
  OR ( resid 33 and name HB1 )
     ( resid 33 and name HA )
ASSI ( resid 69 and name HB1 )
     ( resid 69 and name HA )
     6.0 0.1 0.1 peak 1844 weight 1.1 volume 1517.25977 ppm1 2.71300 ppm2 4.65200
  OR ( resid 69 and name HB1 )
     ( resid 50 and name HA )
  OR ( resid 69 and name HB1 )
     ( resid 3 and name HA )
  OR ( resid 69 and name HB1 )
     ( resid 33 and name HA )
  OR ( resid 50 and name HB2 )
     ( resid 69 and name HA )
  OR ( resid 50 and name HB2 )
     ( resid 50 and name HA )
  OR ( resid 50 and name HB2 )
     ( resid 3 and name HA )
  OR ( resid 50 and name HB2 )
     ( resid 33 and name HA )
  OR ( resid 3 and name HB1 )
     ( resid 69 and name HA )
  OR ( resid 3 and name HB1 )
     ( resid 50 and name HA )
  OR ( resid 3 and name HB1 )
     ( resid 3 and name HA )
  OR ( resid 3 and name HB1 )
     ( resid 33 and name HA )
  OR ( resid 33 and name HB2 )
     ( resid 69 and name HA )
  OR ( resid 33 and name HB2 )
     ( resid 50 and name HA )
  OR ( resid 33 and name HB2 )
     ( resid 3 and name HA )
  OR ( resid 33 and name HB2 )
     ( resid 33 and name HA )
  OR ( resid 33 and name HB1 )
     ( resid 69 and name HA )
  OR ( resid 33 and name HB1 )
     ( resid 50 and name HA )
  OR ( resid 33 and name HB1 )
     ( resid 3 and name HA )
  OR ( resid 33 and name HB1 )
     ( resid 33 and name HA )
ASSI ( attr store1 < 2.744 and attr store1 > 2.704 )
     ( attr store1 < 4.749 and attr store1 > 4.669 )
     6.0 0.1 0.1 peak 1845 volume 135.40620 ppm1 2.72400 ppm2 4.70900
ASSI ( resid 39 and name HB1 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 1846 weight 1.1 volume 186.25790 ppm1 3.01800 ppm2 5.09600
ASSI ( resid 23 and name HB1 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 1847 weight 1.1 volume 128.36920 ppm1 2.93800 ppm2 5.09500
ASSI ( resid 16 and name HB1 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 1848 weight 1.1 volume 242.35159 ppm1 2.95800 ppm2 4.89000
ASSI ( resid 12 and name HB2 )
     ( resid 12 and name HA )
     6.0 0.1 0.1 peak 1849 weight 1.1 volume 529.33337 ppm1 2.89400 ppm2 4.90900
ASSI ( resid 12 and name HB1 )
     ( resid 12 and name HA )
     6.0 0.1 0.1 peak 1850 weight 1.1 volume 942.55908 ppm1 2.82400 ppm2 4.91100
ASSI ( resid 7 and name HB1 )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 1851 weight 1.1 volume 37.19300 ppm1 2.83300 ppm2 4.82600
ASSI ( resid 6 and name HB1 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 1852 weight 1.1 volume 25.17020 ppm1 2.85500 ppm2 4.98200
ASSI ( attr store1 < 2.751 and attr store1 > 2.711 )
     ( attr store1 < 4.969 and attr store1 > 4.889 )
     6.0 0.1 0.1 peak 1853 volume 167.51250 ppm1 2.73100 ppm2 4.92900
ASSI ( resid 33 and name HB2 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 1854 weight 1.1 volume 192.22530 ppm1 2.74000 ppm2 4.98600
  OR ( resid 33 and name HB1 )
     ( resid 32 and name HA )
ASSI ( resid 40 and name HB1 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 1855 weight 1.1 volume 34.79120 ppm1 2.86700 ppm2 5.09300
ASSI ( resid 39 and name HB2 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 1856 weight 1.1 volume 257.65091 ppm1 2.80200 ppm2 5.08100
ASSI ( resid 35 and name HB1 )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 1857 weight 1.1 volume 642.90668 ppm1 2.73200 ppm2 5.19800
  OR ( resid 35 and name HB2 )
     ( resid 35 and name HA )
ASSI ( resid 55 and name HB2 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1858 weight 1.1 volume 55.20750 ppm1 3.15800 ppm2 5.78100
ASSI ( resid 56 and name HA )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1859 weight 1.1 volume 163.16119 ppm1 2.88200 ppm2 5.77900
ASSI ( resid 40 and name HB1 )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 1860 weight 1.1 volume 219.86940 ppm1 2.87100 ppm2 5.55100
ASSI ( resid 23 and name HB1 )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 1861 weight 1.1 volume 306.03400 ppm1 2.94100 ppm2 5.91100
ASSI ( resid 53 and name HG1 )
     ( resid 53 and name HG2 )
     6.0 0.1 0.1 peak 1862 weight 1.1 volume 963.64960 ppm1 2.43900 ppm2 2.19900
ASSI ( resid 30 and name HG2 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 1863 weight 1.1 volume 1284.91650 ppm1 2.30000 ppm2 1.91400
  OR ( resid 30 and name HG2 )
     ( resid 30 and name HB1 )
ASSI ( resid 30 and name HG2 )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 1864 weight 1.1 volume 198.94611 ppm1 2.30200 ppm2 1.50000
  OR ( resid 30 and name HG2 )
     ( resid 27 and name HB1 )
ASSI ( attr store1 < 2.257 and attr store1 > 2.217 )
     ( attr store1 < 1.539 and attr store1 > 1.459 )
     6.0 0.1 0.1 peak 1865 volume 103.58450 ppm1 2.23700 ppm2 1.49900
ASSI ( resid 26 and name HG2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 1866 weight 1.1 volume 96.00880 ppm1 2.20700 ppm2 1.35500
ASSI ( resid 14 and name HA )
     ( resid 14 and name HB )
     6.0 0.1 0.1 peak 1867 weight 1.1 volume 105.30820 ppm1 2.38600 ppm2 1.10200
ASSI ( resid 14 and name HA )
     ( resid 14 and name HG11 )
     6.0 0.1 0.1 peak 1868 weight 1.1 volume 70.50330 ppm1 2.38800 ppm2 0.96800
ASSI ( resid 59 and name HG12 )
     ( resid 59 and name HG11 )
     6.0 0.1 0.1 peak 1869 weight 1.1 volume 1127.02722 ppm1 2.19800 ppm2 0.88200
  OR ( resid 59 and name HG12 )
     ( resid 21 and name HG11 )
  OR ( resid 21 and name HB )
     ( resid 59 and name HG11 )
  OR ( resid 21 and name HB )
     ( resid 21 and name HG11 )
ASSI ( attr store1 < 2.315 and attr store1 > 2.275 )
     ( attr store1 < 0.892 and attr store1 > 0.812 )
     6.0 0.1 0.1 peak 1870 volume 22.87120 ppm1 2.29500 ppm2 0.85200
ASSI ( resid 17 and name HB1 )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1871 weight 1.1 volume 295.79349 ppm1 2.13000 ppm2 0.70900
ASSI ( resid 59 and name HG12 )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1872 weight 1.1 volume 908.49127 ppm1 2.19300 ppm2 0.71600
  OR ( resid 59 and name HG12 )
     ( resid 21 and name HG21 )
  OR ( resid 21 and name HB )
     ( resid 59 and name HD11 )
  OR ( resid 21 and name HB )
     ( resid 21 and name HG21 )
ASSI ( resid 59 and name HG12 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1873 weight 1.1 volume 192.31250 ppm1 2.21100 ppm2 0.63400
ASSI ( resid 17 and name HB1 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1874 weight 1.1 volume 60.74060 ppm1 2.13600 ppm2 0.63200
ASSI ( resid 14 and name HA )
     ( resid 14 and name HD11 )
     6.0 0.1 0.1 peak 1875 weight 1.1 volume 27.67430 ppm1 2.38900 ppm2 0.50400
ASSI ( resid 14 and name HA )
     ( resid 14 and name HG12 )
     6.0 0.1 0.1 peak 1876 weight 1.1 volume 588.48218 ppm1 2.38900 ppm2 0.08100
  OR ( resid 14 and name HA )
     ( resid 14 and name HG21 )
ASSI ( attr store1 < 2.224 and attr store1 > 2.184 )
     ( attr store1 < -0.518 and attr store1 > -0.598 )
     6.0 0.1 0.1 peak 1877 volume 21.33500 ppm1 2.20400 ppm2 -0.55800
ASSI ( resid 44 and name HB2 )
     ( resid 44 and name HG2 )
     6.0 0.1 0.1 peak 1878 weight 1.1 volume 429.40649 ppm1 2.10000 ppm2 1.30400
  OR ( resid 44 and name HB2 )
     ( resid 44 and name HG1 )
ASSI ( resid 44 and name HB1 )
     ( resid 44 and name HG1 )
     6.0 0.1 0.1 peak 1879 weight 1.1 volume 670.81488 ppm1 1.97200 ppm2 1.30500
  OR ( resid 44 and name HB1 )
     ( resid 44 and name HG2 )
ASSI ( resid 26 and name HB2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 1880 weight 1.1 volume 246.57381 ppm1 1.89300 ppm2 1.36000
ASSI ( resid 65 and name HB1 )
     ( resid 65 and name HG2 )
     6.0 0.1 0.1 peak 1881 weight 1.1 volume 1260.81787 ppm1 1.84300 ppm2 1.47800
  OR ( resid 65 and name HB1 )
     ( resid 66 and name HG2 )
  OR ( resid 65 and name HB1 )
     ( resid 61 and name HG2 )
  OR ( resid 65 and name HB1 )
     ( resid 42 and name HG2 )
  OR ( resid 65 and name HB1 )
     ( resid 42 and name HG1 )
  OR ( resid 65 and name HB1 )
     ( resid 65 and name HG1 )
  OR ( resid 65 and name HB1 )
     ( resid 62 and name HG )
  OR ( resid 66 and name HB2 )
     ( resid 65 and name HG2 )
  OR ( resid 66 and name HB2 )
     ( resid 66 and name HG2 )
  OR ( resid 66 and name HB2 )
     ( resid 61 and name HG2 )
  OR ( resid 66 and name HB2 )
     ( resid 42 and name HG2 )
  OR ( resid 66 and name HB2 )
     ( resid 42 and name HG1 )
  OR ( resid 66 and name HB2 )
     ( resid 65 and name HG1 )
  OR ( resid 66 and name HB2 )
     ( resid 62 and name HG )
  OR ( resid 61 and name HB2 )
     ( resid 65 and name HG2 )
  OR ( resid 61 and name HB2 )
     ( resid 66 and name HG2 )
  OR ( resid 61 and name HB2 )
     ( resid 61 and name HG2 )
  OR ( resid 61 and name HB2 )
     ( resid 42 and name HG2 )
  OR ( resid 61 and name HB2 )
     ( resid 42 and name HG1 )
  OR ( resid 61 and name HB2 )
     ( resid 65 and name HG1 )
  OR ( resid 61 and name HB2 )
     ( resid 62 and name HG )
  OR ( resid 42 and name HB2 )
     ( resid 65 and name HG2 )
  OR ( resid 42 and name HB2 )
     ( resid 66 and name HG2 )
  OR ( resid 42 and name HB2 )
     ( resid 61 and name HG2 )
  OR ( resid 42 and name HB2 )
     ( resid 42 and name HG2 )
  OR ( resid 42 and name HB2 )
     ( resid 42 and name HG1 )
  OR ( resid 42 and name HB2 )
     ( resid 65 and name HG1 )
  OR ( resid 42 and name HB2 )
     ( resid 62 and name HG )
ASSI ( resid 52 and name HD1 )
     ( resid 52 and name HB1 )
     6.0 0.1 0.1 peak 1882 weight 1.1 volume 930.01532 ppm1 1.78500 ppm2 1.48700
  OR ( resid 52 and name HD1 )
     ( resid 52 and name HB2 )
ASSI ( resid 51 and name HB2 )
     ( resid 52 and name HG1 )
     6.0 0.1 0.1 peak 1883 weight 1.1 volume 380.86450 ppm1 1.77900 ppm2 1.36400
  OR ( resid 52 and name HD1 )
     ( resid 52 and name HG1 )
ASSI ( resid 52 and name HD1 )
     ( resid 52 and name HG2 )
     6.0 0.1 0.1 peak 1884 weight 1.1 volume 394.33481 ppm1 1.78300 ppm2 1.24500
  OR ( resid 51 and name HB2 )
     ( resid 52 and name HG2 )
ASSI ( resid 38 and name HB )
     ( resid 24 and name HG21 )
     6.0 0.1 0.1 peak 1885 weight 1.1 volume 173.99130 ppm1 1.77300 ppm2 1.18400
ASSI ( resid 20 and name HB )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 1886 weight 1.1 volume 587.33539 ppm1 1.90300 ppm2 1.04700
ASSI ( resid 38 and name HB )
     ( resid 38 and name HG12 )
     6.0 0.1 0.1 peak 1887 weight 1.1 volume 304.40869 ppm1 1.77400 ppm2 1.03800
  OR ( resid 38 and name HB )
     ( resid 38 and name HG11 )
ASSI ( resid 67 and name HB )
     ( resid 67 and name HG21 )
     6.0 0.1 0.1 peak 1888 weight 1.1 volume 725.06348 ppm1 2.08100 ppm2 0.92200
  OR ( resid 67 and name HB )
     ( resid 67 and name HG11 )
ASSI ( resid 47 and name HB )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 1889 weight 1.1 volume 275.26819 ppm1 2.03000 ppm2 0.86500
ASSI ( resid 51 and name HB2 )
     ( resid 51 and name HB1 )
     6.0 0.1 0.1 peak 1890 weight 1.1 volume 878.77338 ppm1 1.78200 ppm2 2.07500
ASSI ( resid 51 and name HG1 )
     ( resid 51 and name HB1 )
     6.0 0.1 0.1 peak 1891 weight 1.1 volume 458.22360 ppm1 1.71900 ppm2 2.07600
ASSI ( resid 43 and name HB2 )
     ( resid 43 and name HB1 )
     6.0 0.1 0.1 peak 1892 weight 1.1 volume 1272.96228 ppm1 1.62200 ppm2 2.00900
ASSI ( resid 43 and name HG1 )
     ( resid 43 and name HB1 )
     6.0 0.1 0.1 peak 1893 weight 1.1 volume 277.60699 ppm1 1.38800 ppm2 2.01000
  OR ( resid 43 and name HG2 )
     ( resid 43 and name HB1 )
ASSI ( resid 36 and name HB1 )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 1894 weight 1.1 volume 230.09460 ppm1 1.35400 ppm2 2.03500
ASSI ( resid 44 and name HG1 )
     ( resid 44 and name HB1 )
     6.0 0.1 0.1 peak 1895 weight 1.1 volume 556.30792 ppm1 1.30300 ppm2 1.96600
  OR ( resid 44 and name HG2 )
     ( resid 44 and name HB1 )
ASSI ( resid 44 and name HG2 )
     ( resid 44 and name HB2 )
     6.0 0.1 0.1 peak 1896 weight 1.1 volume 581.33722 ppm1 1.30300 ppm2 2.09900
  OR ( resid 44 and name HG1 )
     ( resid 44 and name HB2 )
ASSI ( resid 36 and name HB1 )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 1897 weight 1.1 volume 378.93689 ppm1 1.35500 ppm2 1.88600
ASSI ( resid 36 and name HB1 )
     ( resid 26 and name HG1 )
     6.0 0.1 0.1 peak 1898 weight 1.1 volume 198.33920 ppm1 1.35300 ppm2 2.23200
  OR ( resid 36 and name HB1 )
     ( resid 26 and name HG2 )
ASSI ( resid 47 and name HG11 )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 1899 weight 1.1 volume 693.51343 ppm1 1.16700 ppm2 2.03000
  OR ( resid 41 and name HG21 )
     ( resid 47 and name HB )
ASSI ( attr store1 < 1.105 and attr store1 > 1.065 )
     ( attr store1 < 1.948 and attr store1 > 1.868 )
     6.0 0.1 0.1 peak 1900 volume 92.98390 ppm1 1.08500 ppm2 1.90800
ASSI ( resid 20 and name HG21 )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 1901 weight 1.1 volume 583.71710 ppm1 1.04700 ppm2 1.90100
ASSI ( resid 37 and name HG11 )
     ( resid 51 and name HB1 )
     6.0 0.1 0.1 peak 1902 weight 1.1 volume 63.32980 ppm1 1.06400 ppm2 2.07100
ASSI ( resid 47 and name HG21 )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 1903 weight 1.1 volume 757.98767 ppm1 0.95100 ppm2 2.02800
ASSI ( resid 67 and name HG21 )
     ( resid 67 and name HB )
     6.0 0.1 0.1 peak 1904 weight 1.1 volume 892.40851 ppm1 0.90900 ppm2 2.06200
  OR ( resid 67 and name HG11 )
     ( resid 67 and name HB )
ASSI ( resid 15 and name HD21 )
     ( resid 47 and name HB )
     6.0 0.1 0.1 peak 1905 weight 1.1 volume 786.00281 ppm1 0.85800 ppm2 2.03600
ASSI ( attr store1 < 0.73761 and attr store1 > 0.69761 )
     ( attr store1 < 2.07738 and attr store1 > 1.99738 )
     6.0 0.1 0.1 peak 1906 volume 286.15369 ppm1 0.71761 ppm2 2.03738
ASSI ( resid 63 and name HD21 )
     ( resid 63 and name HG )
     6.0 0.1 0.1 peak 1907 weight 1.1 volume 780.53339 ppm1 0.90100 ppm2 1.85100
ASSI ( resid 63 and name HD11 )
     ( resid 63 and name HG )
     6.0 0.1 0.1 peak 1908 weight 1.1 volume 677.32068 ppm1 0.84200 ppm2 1.84900
ASSI ( resid 34 and name HG21 )
     ( resid 34 and name HB )
     6.0 0.1 0.1 peak 1909 weight 1.1 volume 1008.01721 ppm1 0.69500 ppm2 1.90800
ASSI ( resid 59 and name HG21 )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 1910 weight 1.1 volume 449.01489 ppm1 0.63400 ppm2 1.91100
ASSI ( resid 59 and name HG21 )
     ( resid 59 and name HB )
     6.0 0.1 0.1 peak 1911 weight 1.1 volume 718.94897 ppm1 0.63400 ppm2 1.84000
ASSI ( resid 59 and name HD11 )
     ( resid 59 and name HB )
     6.0 0.1 0.1 peak 1912 weight 1.1 volume 580.54211 ppm1 0.70600 ppm2 1.83300
ASSI ( attr store1 < 0.651 and attr store1 > 0.611 )
     ( attr store1 < 2.075 and attr store1 > 1.995 )
     6.0 0.1 0.1 peak 1913 volume 59.23530 ppm1 0.63100 ppm2 2.03500
ASSI ( resid 37 and name HD11 )
     ( resid 51 and name HB1 )
     6.0 0.1 0.1 peak 1914 weight 1.1 volume 183.69810 ppm1 0.53200 ppm2 2.07200
ASSI ( attr store1 < 0.371 and attr store1 > 0.331 )
     ( attr store1 < 2.074 and attr store1 > 1.994 )
     6.0 0.1 0.1 peak 1915 volume 49.15000 ppm1 0.35100 ppm2 2.03400
ASSI ( resid 56 and name HG21 )
     ( resid 51 and name HB1 )
     6.0 0.1 0.1 peak 1916 weight 1.1 volume 78.07100 ppm1 0.31400 ppm2 2.07600
ASSI ( resid 20 and name HD11 )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 1917 weight 1.1 volume 663.36530 ppm1 0.35300 ppm2 1.90200
ASSI ( resid 34 and name HD11 )
     ( resid 34 and name HB )
     6.0 0.1 0.1 peak 1918 weight 1.1 volume 417.21429 ppm1 0.17100 ppm2 1.90700
ASSI ( resid 63 and name HB1 )
     ( resid 63 and name HD21 )
     6.0 0.1 0.1 peak 1919 weight 1.1 volume 729.56958 ppm1 1.93200 ppm2 0.89900
ASSI ( resid 63 and name HG )
     ( resid 63 and name HD11 )
     6.0 0.1 0.1 peak 1920 weight 1.1 volume 622.83173 ppm1 1.86100 ppm2 0.84200
ASSI ( resid 63 and name HB1 )
     ( resid 63 and name HD11 )
     6.0 0.1 0.1 peak 1921 weight 1.1 volume 733.46777 ppm1 1.93200 ppm2 0.84200
ASSI ( resid 63 and name HG )
     ( resid 63 and name HD21 )
     6.0 0.1 0.1 peak 1922 weight 1.1 volume 519.54657 ppm1 1.86100 ppm2 0.90300
ASSI ( resid 38 and name HB )
     ( resid 38 and name HD11 )
     6.0 0.1 0.1 peak 1923 weight 1.1 volume 409.90381 ppm1 1.77500 ppm2 0.86000
ASSI ( resid 57 and name HB1 )
     ( resid 57 and name HG2 )
     6.0 0.1 0.1 peak 1924 weight 1.1 volume 552.94879 ppm1 1.70000 ppm2 1.22800
  OR ( resid 57 and name HB2 )
     ( resid 57 and name HG2 )
ASSI ( resid 11 and name HG21 )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 1925 weight 1.1 volume 594.42749 ppm1 1.52500 ppm2 1.16800
ASSI ( resid 15 and name HG )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 1926 weight 1.1 volume 270.64450 ppm1 1.56600 ppm2 1.16500
  OR ( resid 15 and name HG )
     ( resid 41 and name HG21 )
  OR ( resid 45 and name HB2 )
     ( resid 47 and name HG11 )
  OR ( resid 45 and name HB2 )
     ( resid 41 and name HG21 )
  OR ( resid 45 and name HB1 )
     ( resid 47 and name HG11 )
  OR ( resid 45 and name HB1 )
     ( resid 41 and name HG21 )
ASSI ( resid 57 and name HD1 )
     ( resid 57 and name HG2 )
     6.0 0.1 0.1 peak 1927 weight 1.1 volume 733.58398 ppm1 1.52200 ppm2 1.23800
  OR ( resid 57 and name HD2 )
     ( resid 57 and name HG2 )
ASSI ( resid 57 and name HG1 )
     ( resid 57 and name HG2 )
     6.0 0.1 0.1 peak 1928 weight 1.1 volume 1131.55286 ppm1 1.45500 ppm2 1.23400
ASSI ( resid 18 and name HB2 )
     ( resid 18 and name HG1 )
     6.0 0.1 0.1 peak 1929 weight 1.1 volume 222.82581 ppm1 1.66600 ppm2 0.98100
ASSI ( attr store1 < 1.544 and attr store1 > 1.504 )
     ( attr store1 < 1.0 and attr store1 > 0.92 )
     6.0 0.1 0.1 peak 1930 volume 226.68961 ppm1 1.52400 ppm2 0.96000
ASSI ( resid 15 and name HG )
     ( resid 47 and name HG21 )
     6.0 0.1 0.1 peak 1931 weight 1.1 volume 167.97270 ppm1 1.56700 ppm2 0.95900
  OR ( resid 15 and name HG )
     ( resid 20 and name HG12 )
  OR ( resid 45 and name HB2 )
     ( resid 47 and name HG21 )
  OR ( resid 45 and name HB2 )
     ( resid 20 and name HG12 )
  OR ( resid 45 and name HB1 )
     ( resid 47 and name HG21 )
  OR ( resid 45 and name HB1 )
     ( resid 20 and name HG12 )
ASSI ( resid 13 and name HB2 )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 1932 weight 1.1 volume 3394.00000 ppm1 1.56900 ppm2 0.86300
  OR ( resid 13 and name HB2 )
     ( resid 45 and name HD11 )
  OR ( resid 13 and name HB2 )
     ( resid 8 and name HD21 )
  OR ( resid 15 and name HG )
     ( resid 15 and name HD21 )
  OR ( resid 15 and name HG )
     ( resid 45 and name HD11 )
  OR ( resid 15 and name HG )
     ( resid 8 and name HD21 )
  OR ( resid 45 and name HB2 )
     ( resid 15 and name HD21 )
  OR ( resid 45 and name HB2 )
     ( resid 45 and name HD11 )
  OR ( resid 45 and name HB2 )
     ( resid 8 and name HD21 )
  OR ( resid 45 and name HB1 )
     ( resid 15 and name HD21 )
  OR ( resid 45 and name HB1 )
     ( resid 45 and name HD11 )
  OR ( resid 45 and name HB1 )
     ( resid 8 and name HD21 )
  OR ( resid 13 and name HB1 )
     ( resid 15 and name HD21 )
  OR ( resid 13 and name HB1 )
     ( resid 45 and name HD11 )
  OR ( resid 13 and name HB1 )
     ( resid 8 and name HD21 )
  OR ( resid 8 and name HB1 )
     ( resid 15 and name HD21 )
  OR ( resid 8 and name HB1 )
     ( resid 45 and name HD11 )
  OR ( resid 8 and name HB1 )
     ( resid 8 and name HD21 )
  OR ( resid 8 and name HB2 )
     ( resid 15 and name HD21 )
  OR ( resid 8 and name HB2 )
     ( resid 45 and name HD11 )
  OR ( resid 8 and name HB2 )
     ( resid 8 and name HD21 )
ASSI ( resid 45 and name HG )
     ( resid 45 and name HD11 )
     6.0 0.1 0.1 peak 1933 weight 1.1 volume 5497.54883 ppm1 1.47100 ppm2 0.84700
  OR ( resid 45 and name HG )
     ( resid 18 and name HG2 )
  OR ( resid 45 and name HG )
     ( resid 27 and name HD21 )
  OR ( resid 45 and name HG )
     ( resid 27 and name HD11 )
  OR ( resid 18 and name HD1 )
     ( resid 45 and name HD11 )
  OR ( resid 18 and name HD1 )
     ( resid 18 and name HG2 )
  OR ( resid 18 and name HD1 )
     ( resid 27 and name HD21 )
  OR ( resid 18 and name HD1 )
     ( resid 27 and name HD11 )
  OR ( resid 27 and name HB1 )
     ( resid 45 and name HD11 )
  OR ( resid 27 and name HB1 )
     ( resid 18 and name HG2 )
  OR ( resid 27 and name HB1 )
     ( resid 27 and name HD21 )
  OR ( resid 27 and name HB1 )
     ( resid 27 and name HD11 )
  OR ( resid 27 and name HB2 )
     ( resid 45 and name HD11 )
  OR ( resid 27 and name HB2 )
     ( resid 18 and name HG2 )
  OR ( resid 27 and name HB2 )
     ( resid 27 and name HD21 )
  OR ( resid 27 and name HB2 )
     ( resid 27 and name HD11 )
ASSI ( attr store1 < 1.71 and attr store1 > 1.67 )
     ( attr store1 < 0.893 and attr store1 > 0.813 )
     6.0 0.1 0.1 peak 1934 volume 371.84119 ppm1 1.69000 ppm2 0.85300
ASSI ( attr store1 < 1.711 and attr store1 > 1.671 )
     ( attr store1 < 0.851 and attr store1 > 0.771 )
     6.0 0.1 0.1 peak 1935 volume 270.58359 ppm1 1.69100 ppm2 0.81100
ASSI ( resid 34 and name HB )
     ( resid 34 and name HG21 )
     6.0 0.1 0.1 peak 1936 weight 1.1 volume 955.16632 ppm1 1.91300 ppm2 0.69700
  OR ( resid 34 and name HB )
     ( resid 59 and name HD11 )
  OR ( resid 20 and name HB )
     ( resid 34 and name HG21 )
  OR ( resid 20 and name HB )
     ( resid 59 and name HD11 )
  OR ( resid 17 and name HG1 )
     ( resid 34 and name HG21 )
  OR ( resid 17 and name HG1 )
     ( resid 59 and name HD11 )
  OR ( resid 17 and name HG2 )
     ( resid 34 and name HG21 )
  OR ( resid 17 and name HG2 )
     ( resid 59 and name HD11 )
ASSI ( resid 59 and name HB )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 1937 weight 1.1 volume 496.28970 ppm1 1.83500 ppm2 0.70500
ASSI ( resid 63 and name HB1 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1938 weight 1.1 volume 395.61951 ppm1 1.91200 ppm2 0.63200
  OR ( resid 20 and name HB )
     ( resid 59 and name HG21 )
  OR ( resid 17 and name HG1 )
     ( resid 59 and name HG21 )
  OR ( resid 17 and name HG2 )
     ( resid 59 and name HG21 )
ASSI ( resid 59 and name HB )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1939 weight 1.1 volume 467.83209 ppm1 1.84400 ppm2 0.63200
ASSI ( resid 8 and name HG )
     ( resid 8 and name HD11 )
     6.0 0.1 0.1 peak 1940 weight 1.1 volume 1209.51440 ppm1 1.52500 ppm2 0.73600
ASSI ( resid 15 and name HG )
     ( resid 15 and name HD11 )
     6.0 0.1 0.1 peak 1941 weight 1.1 volume 2112.89673 ppm1 1.57900 ppm2 0.73600
  OR ( resid 15 and name HG )
     ( resid 62 and name HD11 )
  OR ( resid 15 and name HG )
     ( resid 8 and name HD11 )
  OR ( resid 15 and name HG )
     ( resid 62 and name HD21 )
  OR ( resid 62 and name HB2 )
     ( resid 15 and name HD11 )
  OR ( resid 62 and name HB2 )
     ( resid 62 and name HD11 )
  OR ( resid 62 and name HB2 )
     ( resid 8 and name HD11 )
  OR ( resid 62 and name HB2 )
     ( resid 62 and name HD21 )
  OR ( resid 8 and name HB2 )
     ( resid 15 and name HD11 )
  OR ( resid 8 and name HB2 )
     ( resid 62 and name HD11 )
  OR ( resid 8 and name HB2 )
     ( resid 8 and name HD11 )
  OR ( resid 8 and name HB2 )
     ( resid 62 and name HD21 )
  OR ( resid 62 and name HB1 )
     ( resid 15 and name HD11 )
  OR ( resid 62 and name HB1 )
     ( resid 62 and name HD11 )
  OR ( resid 62 and name HB1 )
     ( resid 8 and name HD11 )
  OR ( resid 62 and name HB1 )
     ( resid 62 and name HD21 )
  OR ( resid 8 and name HB1 )
     ( resid 15 and name HD11 )
  OR ( resid 8 and name HB1 )
     ( resid 62 and name HD11 )
  OR ( resid 8 and name HB1 )
     ( resid 8 and name HD11 )
  OR ( resid 8 and name HB1 )
     ( resid 62 and name HD21 )
ASSI ( resid 62 and name HB1 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1942 weight 1.1 volume 101.74490 ppm1 1.58000 ppm2 0.63400
  OR ( resid 62 and name HB2 )
     ( resid 59 and name HG21 )
ASSI ( resid 38 and name HB )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 1943 weight 1.1 volume 579.75983 ppm1 1.77600 ppm2 0.52400
ASSI ( resid 25 and name HB2 )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 1944 weight 1.1 volume 405.49591 ppm1 1.69500 ppm2 0.53300
  OR ( resid 25 and name HB1 )
     ( resid 37 and name HD11 )
ASSI ( resid 51 and name HG2 )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 1945 weight 1.1 volume 53.49150 ppm1 1.58500 ppm2 0.53500
ASSI ( resid 20 and name HB )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1946 weight 1.1 volume 400.59409 ppm1 1.90800 ppm2 0.35600
ASSI ( resid 60 and name HB )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 1947 weight 1.1 volume 712.89868 ppm1 1.73600 ppm2 0.28400
ASSI ( resid 60 and name HB )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 1948 weight 1.1 volume 705.46112 ppm1 1.73500 ppm2 0.33900
  OR ( resid 60 and name HB )
     ( resid 56 and name HG21 )
  OR ( resid 56 and name HB )
     ( resid 60 and name HG21 )
  OR ( resid 56 and name HB )
     ( resid 56 and name HG21 )
ASSI ( resid 15 and name HG )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1949 weight 1.1 volume 64.63080 ppm1 1.57100 ppm2 0.34700
ASSI ( resid 34 and name HB )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 1950 weight 1.1 volume 367.31241 ppm1 1.90700 ppm2 0.16900
ASSI ( resid 56 and name HB )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1951 weight 1.1 volume 62.94430 ppm1 1.77100 ppm2 -0.38200
ASSI ( resid 25 and name HB1 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1952 weight 1.1 volume 49.24680 ppm1 1.70000 ppm2 -0.38000
  OR ( resid 25 and name HB2 )
     ( resid 37 and name HG21 )
ASSI ( resid 56 and name HB )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 1953 weight 1.1 volume 463.88721 ppm1 1.77400 ppm2 -0.55900
ASSI ( attr store1 < 1.545 and attr store1 > 1.505 )
     ( attr store1 < -0.519 and attr store1 > -0.599 )
     6.0 0.1 0.1 peak 1954 volume 33.63270 ppm1 1.52500 ppm2 -0.55900
ASSI ( resid 20 and name HG11 )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 1955 weight 1.1 volume 907.30280 ppm1 1.41700 ppm2 0.95600
ASSI ( resid 36 and name HB1 )
     ( resid 38 and name HG11 )
     6.0 0.1 0.1 peak 1956 weight 1.1 volume 820.00299 ppm1 1.35700 ppm2 1.03100
  OR ( resid 36 and name HB1 )
     ( resid 38 and name HG12 )
ASSI ( resid 49 and name HB1 )
     ( resid 37 and name HB )
     6.0 0.1 0.1 peak 1957 weight 1.1 volume 324.11938 ppm1 1.23400 ppm2 1.13200
ASSI ( resid 47 and name HG11 )
     ( resid 47 and name HG21 )
     6.0 0.1 0.1 peak 1958 weight 1.1 volume 1309.41809 ppm1 1.16500 ppm2 0.95400
  OR ( resid 41 and name HG21 )
     ( resid 47 and name HG21 )
ASSI ( resid 47 and name HG11 )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 1959 weight 1.1 volume 897.65930 ppm1 1.16700 ppm2 0.86200
ASSI ( attr store1 < 1.256 and attr store1 > 1.216 )
     ( attr store1 < 0.899 and attr store1 > 0.819 )
     6.0 0.1 0.1 peak 1960 volume 141.38560 ppm1 1.23600 ppm2 0.85900
ASSI ( resid 15 and name HB2 )
     ( resid 15 and name HD21 )
     6.0 0.1 0.1 peak 1961 weight 1.1 volume 847.58667 ppm1 1.35400 ppm2 0.86100
  OR ( resid 15 and name HB2 )
     ( resid 38 and name HD11 )
  OR ( resid 36 and name HB1 )
     ( resid 15 and name HD21 )
  OR ( resid 36 and name HB1 )
     ( resid 38 and name HD11 )
ASSI ( resid 62 and name HG )
     ( resid 62 and name HD11 )
     6.0 0.1 0.1 peak 1962 weight 1.1 volume 1332.87732 ppm1 1.46000 ppm2 0.72800
  OR ( resid 62 and name HG )
     ( resid 62 and name HD21 )
ASSI ( attr store1 < 1.26 and attr store1 > 1.22 )
     ( attr store1 < 0.763 and attr store1 > 0.683 )
     6.0 0.1 0.1 peak 1963 volume 128.68311 ppm1 1.24000 ppm2 0.72300
ASSI ( resid 15 and name HB2 )
     ( resid 15 and name HD11 )
     6.0 0.1 0.1 peak 1964 weight 1.1 volume 133.62030 ppm1 1.34000 ppm2 0.72800
ASSI ( resid 49 and name HB1 )
     ( resid 37 and name HG12 )
     6.0 0.1 0.1 peak 1965 weight 1.1 volume 31.64240 ppm1 1.23600 ppm2 0.78400
ASSI ( resid 47 and name HG11 )
     ( resid 15 and name HD11 )
     6.0 0.1 0.1 peak 1966 weight 1.1 volume 458.36050 ppm1 1.16500 ppm2 0.73100
  OR ( resid 41 and name HG21 )
     ( resid 15 and name HD11 )
ASSI ( attr store1 < 1.108 and attr store1 > 1.068 )
     ( attr store1 < 0.733 and attr store1 > 0.653 )
     6.0 0.1 0.1 peak 1967 volume 50.81520 ppm1 1.08800 ppm2 0.69300
ASSI ( attr store1 < 1.067 and attr store1 > 1.027 )
     ( attr store1 < 0.77 and attr store1 > 0.69 )
     6.0 0.1 0.1 peak 1968 volume 212.12050 ppm1 1.04700 ppm2 0.73000
ASSI ( resid 8 and name HD11 )
     ( resid 8 and name HD21 )
     6.0 0.1 0.1 peak 1969 weight 1.1 volume 2459.80444 ppm1 0.73800 ppm2 0.86200
ASSI ( attr store1 < 0.977 and attr store1 > 0.937 )
     ( attr store1 < 0.768 and attr store1 > 0.688 )
     6.0 0.1 0.1 peak 1970 volume 504.95459 ppm1 0.95700 ppm2 0.72800
ASSI ( resid 20 and name HG21 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 1971 weight 1.1 volume 213.58141 ppm1 1.04700 ppm2 0.63400
ASSI ( attr store1 < 1.182 and attr store1 > 1.142 )
     ( attr store1 < 0.67 and attr store1 > 0.59 )
     6.0 0.1 0.1 peak 1972 volume 20.60370 ppm1 1.16200 ppm2 0.63000
ASSI ( attr store1 < 1.254 and attr store1 > 1.214 )
     ( attr store1 < 0.672 and attr store1 > 0.592 )
     6.0 0.1 0.1 peak 1973 volume 29.06240 ppm1 1.23400 ppm2 0.63200
ASSI ( attr store1 < 1.454 and attr store1 > 1.414 )
     ( attr store1 < 0.574 and attr store1 > 0.494 )
     6.0 0.1 0.1 peak 1974 volume 116.17790 ppm1 1.43400 ppm2 0.53400
ASSI ( attr store1 < 1.377 and attr store1 > 1.337 )
     ( attr store1 < 0.568 and attr store1 > 0.488 )
     6.0 0.1 0.1 peak 1975 volume 278.54419 ppm1 1.35700 ppm2 0.52800
ASSI ( attr store1 < 1.258 and attr store1 > 1.218 )
     ( attr store1 < 0.572 and attr store1 > 0.492 )
     6.0 0.1 0.1 peak 1976 volume 75.75780 ppm1 1.23800 ppm2 0.53200
ASSI ( attr store1 < 1.19 and attr store1 > 1.15 )
     ( attr store1 < 0.559 and attr store1 > 0.479 )
     6.0 0.1 0.1 peak 1977 volume 309.07471 ppm1 1.17000 ppm2 0.51900
ASSI ( resid 14 and name HG11 )
     ( resid 14 and name HD11 )
     6.0 0.1 0.1 peak 1978 weight 1.1 volume 529.76031 ppm1 0.96600 ppm2 0.50900
ASSI ( resid 14 and name HB )
     ( resid 14 and name HD11 )
     6.0 0.1 0.1 peak 1979 weight 1.1 volume 514.45001 ppm1 1.10800 ppm2 0.51800
ASSI ( resid 20 and name HG11 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1980 weight 1.1 volume 282.59439 ppm1 1.41200 ppm2 0.35400
ASSI ( resid 15 and name HB2 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1981 weight 1.1 volume 117.65970 ppm1 1.34300 ppm2 0.35400
ASSI ( resid 49 and name HB1 )
     ( resid 56 and name HG21 )
     6.0 0.1 0.1 peak 1982 weight 1.1 volume 512.58478 ppm1 1.23800 ppm2 0.31300
ASSI ( resid 41 and name HG21 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1983 weight 1.1 volume 206.64070 ppm1 1.16500 ppm2 0.36200
ASSI ( resid 37 and name HB )
     ( resid 56 and name HG21 )
     6.0 0.1 0.1 peak 1984 weight 1.1 volume 313.88239 ppm1 1.13700 ppm2 0.31000
ASSI ( resid 36 and name HB1 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 1985 weight 1.1 volume 165.02760 ppm1 1.35400 ppm2 0.17100
ASSI ( resid 20 and name HG21 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1986 weight 1.1 volume 581.20258 ppm1 1.04700 ppm2 0.35300
ASSI ( resid 20 and name HG12 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1987 weight 1.1 volume 287.45520 ppm1 0.95200 ppm2 0.35400
ASSI ( resid 15 and name HD21 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 1988 weight 1.1 volume 502.27960 ppm1 0.85900 ppm2 0.35500
ASSI ( attr store1 < 0.877 and attr store1 > 0.837 )
     ( attr store1 < 0.321 and attr store1 > 0.241 )
     6.0 0.1 0.1 peak 1989 volume 58.57210 ppm1 0.85700 ppm2 0.28100
ASSI ( attr store1 < 0.93 and attr store1 > 0.89 )
     ( attr store1 < 0.327 and attr store1 > 0.247 )
     6.0 0.1 0.1 peak 1990 volume 118.71730 ppm1 0.91000 ppm2 0.28700
ASSI ( resid 14 and name HG11 )
     ( resid 14 and name HG12 )
     6.0 0.1 0.1 peak 1991 weight 1.1 volume 1244.04395 ppm1 0.96400 ppm2 0.09100
  OR ( resid 14 and name HG11 )
     ( resid 14 and name HG21 )
ASSI ( resid 14 and name HB )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 1992 weight 1.1 volume 949.96460 ppm1 1.11100 ppm2 0.06400
ASSI ( attr store1 < 0.777 and attr store1 > 0.737 )
     ( attr store1 < 0.211 and attr store1 > 0.131 )
     6.0 0.1 0.1 peak 1993 volume 364.56100 ppm1 0.75700 ppm2 0.17100
ASSI ( resid 34 and name HG12 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 1994 weight 1.1 volume 518.36060 ppm1 0.88300 ppm2 0.16800
  OR ( resid 8 and name HD21 )
     ( resid 34 and name HD11 )
ASSI ( resid 34 and name HG11 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 1995 weight 1.1 volume 463.32349 ppm1 0.82500 ppm2 0.16800
ASSI ( attr store1 < 1.375 and attr store1 > 1.335 )
     ( attr store1 < -0.342 and attr store1 > -0.422 )
     6.0 0.1 0.1 peak 1996 volume 33.52860 ppm1 1.35500 ppm2 -0.38200
ASSI ( resid 49 and name HB1 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 1997 weight 1.1 volume 660.10358 ppm1 1.23800 ppm2 -0.55900
ASSI ( resid 49 and name HB1 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1998 weight 1.1 volume 175.25909 ppm1 1.23800 ppm2 -0.38100
ASSI ( resid 37 and name HB )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 1999 weight 1.1 volume 421.21429 ppm1 1.13100 ppm2 -0.38100
ASSI ( resid 37 and name HG11 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 2000 weight 1.1 volume 178.35390 ppm1 1.06200 ppm2 -0.38200
ASSI ( attr store1 < 0.923 and attr store1 > 0.883 )
     ( attr store1 < -0.344 and attr store1 > -0.424 )
     6.0 0.1 0.1 peak 2001 volume 39.63020 ppm1 0.90300 ppm2 -0.38400
ASSI ( attr store1 < 0.879 and attr store1 > 0.839 )
     ( attr store1 < -0.333 and attr store1 > -0.413 )
     6.0 0.1 0.1 peak 2002 volume 39.95610 ppm1 0.85900 ppm2 -0.37300
ASSI ( resid 37 and name HG12 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 2003 weight 1.1 volume 246.35400 ppm1 0.76600 ppm2 -0.38200
ASSI ( attr store1 < 0.752 and attr store1 > 0.712 )
     ( attr store1 < -0.517 and attr store1 > -0.597 )
     6.0 0.1 0.1 peak 2004 volume 82.55840 ppm1 0.73200 ppm2 -0.55700
ASSI ( resid 37 and name HG11 )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 2005 weight 1.1 volume 532.15479 ppm1 1.06300 ppm2 0.52800
ASSI ( resid 38 and name HD11 )
     ( resid 38 and name HG21 )
     6.0 0.1 0.1 peak 2006 weight 1.1 volume 892.88867 ppm1 0.86100 ppm2 0.52400
ASSI ( resid 20 and name HG12 )
     ( resid 59 and name HG21 )
     6.0 0.1 0.1 peak 2007 weight 1.1 volume 109.84940 ppm1 0.95200 ppm2 0.63500
ASSI ( attr store1 < 0.924 and attr store1 > 0.884 )
     ( attr store1 < 0.674 and attr store1 > 0.594 )
     6.0 0.1 0.1 peak 2008 volume 557.32562 ppm1 0.90400 ppm2 0.63400
ASSI ( resid 8 and name HD21 )
     ( resid 8 and name HD11 )
     6.0 0.1 0.1 peak 2009 weight 1.1 volume 2860.07397 ppm1 0.86000 ppm2 0.74200
ASSI ( resid 37 and name HG12 )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 2010 weight 1.1 volume 726.89148 ppm1 0.77300 ppm2 0.53100
ASSI ( resid 15 and name HD11 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 2011 weight 1.1 volume 376.52200 ppm1 0.73400 ppm2 0.34500
ASSI ( resid 59 and name HD11 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 2012 weight 1.1 volume 398.63361 ppm1 0.70000 ppm2 0.35400
ASSI ( resid 59 and name HG21 )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 2013 weight 1.1 volume 117.73200 ppm1 0.63300 ppm2 0.28500
ASSI ( resid 59 and name HG21 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 2014 weight 1.1 volume 466.38559 ppm1 0.63400 ppm2 0.35300
ASSI ( resid 37 and name HD11 )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 2015 weight 1.1 volume 757.81097 ppm1 0.53100 ppm2 0.28100
ASSI ( resid 37 and name HD11 )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 2016 weight 1.1 volume 327.67340 ppm1 0.52400 ppm2 0.34800
ASSI ( resid 34 and name HG21 )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 2017 weight 1.1 volume 891.41821 ppm1 0.68900 ppm2 0.17100
ASSI ( attr store1 < 0.737 and attr store1 > 0.697 )
     ( attr store1 < 0.101 and attr store1 > 0.021 )
     6.0 0.1 0.1 peak 2018 volume 212.97360 ppm1 0.71700 ppm2 0.06100
ASSI ( resid 14 and name HD11 )
     ( resid 14 and name HG12 )
     6.0 0.1 0.1 peak 2019 weight 1.1 volume 373.54419 ppm1 0.50700 ppm2 0.12300
ASSI ( resid 14 and name HD11 )
     ( resid 14 and name HG21 )
     6.0 0.1 0.1 peak 2020 weight 1.1 volume 1090.47534 ppm1 0.50700 ppm2 0.06200
ASSI ( resid 59 and name HG21 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 2021 weight 1.1 volume 22.43620 ppm1 0.63700 ppm2 -0.38300
ASSI ( resid 37 and name HD11 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 2022 weight 1.1 volume 845.71191 ppm1 0.53100 ppm2 -0.38000
ASSI ( resid 60 and name HG11 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 2023 weight 1.1 volume 465.72290 ppm1 0.28100 ppm2 -0.38100
ASSI ( resid 60 and name HG21 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 2024 weight 1.1 volume 88.30080 ppm1 0.34600 ppm2 -0.38100
ASSI ( resid 56 and name HG21 )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 2025 weight 1.1 volume 246.81960 ppm1 0.30900 ppm2 -0.38100
ASSI ( resid 56 and name HG21 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 2026 weight 1.1 volume 601.78632 ppm1 0.31300 ppm2 -0.56000
ASSI ( resid 37 and name HD11 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 2027 weight 1.1 volume 12.54920 ppm1 0.53000 ppm2 -0.56100
ASSI ( resid 59 and name HG21 )
     ( resid 56 and name HG11 )
     6.0 0.1 0.1 peak 2028 weight 1.1 volume 9.68530 ppm1 0.63400 ppm2 -0.55800
ASSI ( resid 60 and name HG21 )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 2029 weight 1.1 volume 982.80988 ppm1 0.34500 ppm2 0.27900
ASSI ( attr store1 < 0.371 and attr store1 > 0.331 )
     ( attr store1 < 0.108 and attr store1 > 0.028 )
     6.0 0.1 0.1 peak 2030 volume 62.21760 ppm1 0.35100 ppm2 0.06800
ASSI ( resid 69 and name HN )
     ( resid 69 and name HB1 )
     6.0 0.1 0.1 peak 2031 weight 1.1 volume 211.66570 ppm1 8.44300 ppm2 2.72500
ASSI ( resid 69 and name HN )
     ( resid 69 and name HB2 )
     6.0 0.1 0.1 peak 2032 weight 1.1 volume 83.79090 ppm1 8.44300 ppm2 2.80600
ASSI ( resid 24 and name HN )
     ( resid 40 and name HN )
     6.0 0.1 0.1 peak 2033 weight 1.1 volume 20.32600 ppm1 9.13200 ppm2 8.72100
ASSI ( resid 25 and name HN )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 2034 weight 1.1 volume 102.04440 ppm1 9.00000 ppm2 8.87600
ASSI ( resid 7 and name HN )
     ( resid 34 and name HD11 )
     6.0 0.1 0.1 peak 2035 weight 1.1 volume 18.44000 ppm1 10.16900 ppm2 0.17000
ASSI ( resid 55 and name HN )
     ( resid 53 and name HA )
     6.0 0.1 0.1 peak 2036 weight 1.1 volume 127.72100 ppm1 8.43800 ppm2 4.24100
ASSI ( resid 65 and name HN )
     ( resid 61 and name HA )
     6.0 0.1 0.1 peak 2037 weight 1.1 volume 23.90700 ppm1 7.67600 ppm2 3.87300
ASSI ( attr store1 < 7.163 and attr store1 > 7.123 )
     ( attr store1 < 0.754 and attr store1 > 0.674 )
     6.0 0.1 0.1 peak 2038 volume 299.08789 ppm1 7.14300 ppm2 0.71400
ASSI ( resid 55 and name HD1 )
     ( resid 53 and name HB1 )
     6.0 0.1 0.1 peak 2039 weight 1.1 volume 293.56979 ppm1 7.57200 ppm2 1.82500
  OR ( resid 53 and name HE21 )
     ( resid 53 and name HB1 )
ASSI ( resid 52 and name HN )
     ( resid 53 and name HG1 )
     6.0 0.1 0.1 peak 2040 weight 1.1 volume 43.52650 ppm1 7.48800 ppm2 2.44800
ASSI ( resid 55 and name HZ3 )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 2041 weight 1.1 volume 26.88700 ppm1 6.52000 ppm2 0.95200
ASSI ( resid 14 and name HN )
     ( resid 15 and name HN )
     6.0 0.1 0.1 peak 2042 weight 1.1 volume 27.17090 ppm1 7.65300 ppm2 5.52000
ASSI ( resid 57 and name HN )
     ( resid 54 and name HB )
     6.0 0.1 0.1 peak 2043 weight 1.1 volume 159.88409 ppm1 7.51600 ppm2 3.62800
ASSI ( attr store1 < 7.527 and attr store1 > 7.487 )
     ( attr store1 < 1.459 and attr store1 > 1.379 )
     6.0 0.1 0.1 peak 2044 volume 207.25200 ppm1 7.50700 ppm2 1.41900
ASSI ( resid 62 and name HN )
     ( resid 59 and name HB )
     6.0 0.1 0.1 peak 2045 weight 1.1 volume 275.50421 ppm1 7.75300 ppm2 1.84100
  OR ( resid 62 and name HN )
     ( resid 61 and name HB2 )
ASSI ( attr store1 < 4.374 and attr store1 > 4.334 )
     ( attr store1 < 4.865 and attr store1 > 4.785 )
     6.0 0.1 0.1 peak 2046 volume 12.09460 ppm1 4.35400 ppm2 4.82500
ASSI ( resid 61 and name HN )
     ( resid 61 and name HB2 )
     6.0 0.1 0.1 peak 2047 weight 1.1 volume 401.00739 ppm1 7.86300 ppm2 1.85100
ASSI ( resid 8 and name HN )
     ( resid 8 and name HG )
     6.0 0.1 0.1 peak 2048 weight 1.1 volume 459.75381 ppm1 9.15800 ppm2 1.52300
ASSI ( resid 53 and name HN )
     ( resid 53 and name HB1 )
     6.0 0.1 0.1 peak 2049 weight 1.1 volume 620.43011 ppm1 7.15600 ppm2 1.80700
ASSI ( resid 64 and name HB2 )
     ( resid 61 and name HA )
     6.0 0.1 0.1 peak 2050 weight 1.1 volume 259.67050 ppm1 4.01300 ppm2 3.86700
  OR ( resid 64 and name HB1 )
     ( resid 61 and name HA )
ASSI ( resid 17 and name HA )
     ( resid 17 and name HD1 )
     6.0 0.1 0.1 peak 2051 weight 1.1 volume 254.32910 ppm1 3.97800 ppm2 3.84300
  OR ( resid 17 and name HA )
     ( resid 17 and name HD2 )
ASSI ( attr store1 < 0.192 and attr store1 > 0.152 )
     ( attr store1 < 9.198 and attr store1 > 9.118 )
     6.0 0.1 0.1 peak 2052 volume 41.23670 ppm1 0.17200 ppm2 9.15800
ASSI ( resid 26 and name HN )
     ( resid 25 and name HA )
     6.0 0.1 0.1 peak 2053 weight 1.1 volume 728.93488 ppm1 8.78800 ppm2 4.66400
ASSI ( resid 29 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 2054 weight 1.1 volume 371.20251 ppm1 8.33700 ppm2 4.63500
ASSI ( resid 20 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 2055 weight 1.1 volume 112.90200 ppm1 7.72000 ppm2 3.97700
ASSI ( attr store1 < 7.161 and attr store1 > 7.121 )
     ( attr store1 < 0.89 and attr store1 > 0.81 )
     6.0 0.1 0.1 peak 2056 volume 298.87299 ppm1 7.14100 ppm2 0.85000
ASSI ( resid 45 and name HN )
     ( resid 45 and name HD21 )
     6.0 0.1 0.1 peak 2057 weight 1.1 volume 129.05859 ppm1 7.16400 ppm2 0.89100
ASSI ( attr store1 < 7.201 and attr store1 > 7.161 )
     ( attr store1 < 0.901 and attr store1 > 0.821 )
     6.0 0.1 0.1 peak 2058 volume 157.99950 ppm1 7.18100 ppm2 0.86100
ASSI ( resid 39 and name HE2 )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 2059 weight 1.1 volume 390.25830 ppm1 6.75000 ppm2 0.34600
  OR ( resid 39 and name HE1 )
     ( resid 60 and name HG21 )
ASSI ( resid 26 and name HE22 )
     ( resid 6 and name HB1 )
     6.0 0.1 0.1 peak 2060 weight 1.1 volume 372.68869 ppm1 7.10200 ppm2 2.86900
  OR ( resid 26 and name HE22 )
     ( resid 7 and name HB1 )
ASSI ( resid 7 and name HN )
     ( resid 26 and name HE22 )
     6.0 0.1 0.1 peak 2061 weight 1.1 volume 209.86079 ppm1 10.17000 ppm2 7.10100
ASSI ( resid 7 and name HN )
     ( resid 9 and name HN )
     6.0 0.1 0.1 peak 2062 weight 1.1 volume 42.98140 ppm1 10.17000 ppm2 7.26100
ASSI ( attr store1 < 9.918 and attr store1 > 9.878 )
     ( attr store1 < 7.203 and attr store1 > 7.123 )
     6.0 0.1 0.1 peak 2063 volume 113.41770 ppm1 9.89800 ppm2 7.16300
ASSI ( resid 55 and name HE1 )
     ( resid 55 and name HZ2 )
     6.0 0.1 0.1 peak 2064 weight 1.1 volume 524.72260 ppm1 9.89700 ppm2 7.52600
ASSI ( resid 12 and name HN )
     ( resid 13 and name HN )
     6.0 0.1 0.1 peak 2065 weight 1.1 volume 501.67419 ppm1 8.63200 ppm2 8.08800
ASSI ( resid 36 and name HN )
     ( resid 37 and name HD11 )
     6.0 0.1 0.1 peak 2066 weight 1.1 volume 12.14330 ppm1 9.49500 ppm2 0.53100
ASSI ( resid 36 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 2067 weight 1.1 volume 4.88240 ppm1 9.49500 ppm2 1.50100
  OR ( resid 36 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 36 and name HN )
     ( resid 51 and name HG2 )
     6.0 0.1 0.1 peak 2068 weight 1.1 volume 7.31790 ppm1 9.49400 ppm2 1.57500
ASSI ( resid 24 and name HN )
     ( resid 37 and name HG21 )
     6.0 0.1 0.1 peak 2069 weight 1.1 volume 102.12750 ppm1 9.13800 ppm2 -0.38000
ASSI ( resid 23 and name HN )
     ( resid 63 and name HD21 )
     6.0 0.1 0.1 peak 2070 weight 1.1 volume 139.52020 ppm1 8.86900 ppm2 0.90700
ASSI ( resid 35 and name HN )
     ( resid 34 and name HG11 )
     6.0 0.1 0.1 peak 2071 weight 1.1 volume 125.29310 ppm1 8.86300 ppm2 0.81800
ASSI ( resid 23 and name HN )
     ( resid 22 and name HA1 )
     6.0 0.1 0.1 peak 2072 weight 1.1 volume 578.45111 ppm1 8.87100 ppm2 4.32100
ASSI ( resid 32 and name HB2 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 2073 weight 1.1 volume 402.43051 ppm1 2.56700 ppm2 4.98000
ASSI ( resid 61 and name HB2 )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 2074 weight 1.1 volume 161.70160 ppm1 1.85800 ppm2 0.28200
  OR ( resid 59 and name HB )
     ( resid 60 and name HG11 )
ASSI ( resid 57 and name HG2 )
     ( resid 57 and name HB1 )
     6.0 0.1 0.1 peak 2075 weight 1.1 volume 429.72571 ppm1 1.23700 ppm2 1.71400
  OR ( resid 57 and name HG2 )
     ( resid 57 and name HB2 )
  OR ( resid 54 and name HG21 )
     ( resid 57 and name HB1 )
  OR ( resid 54 and name HG21 )
     ( resid 57 and name HB2 )
ASSI ( resid 24 and name HG21 )
     ( resid 38 and name HB )
     6.0 0.1 0.1 peak 2076 weight 1.1 volume 155.80170 ppm1 1.18600 ppm2 1.77000
ASSI ( resid 52 and name HG2 )
     ( resid 52 and name HD1 )
     6.0 0.1 0.1 peak 2077 weight 1.1 volume 377.51779 ppm1 1.24600 ppm2 1.77800
  OR ( resid 52 and name HG2 )
     ( resid 51 and name HB2 )
  OR ( resid 52 and name HG2 )
     ( resid 56 and name HB )
  OR ( resid 57 and name HG2 )
     ( resid 52 and name HD1 )
  OR ( resid 57 and name HG2 )
     ( resid 51 and name HB2 )
  OR ( resid 57 and name HG2 )
     ( resid 56 and name HB )
  OR ( resid 49 and name HB1 )
     ( resid 52 and name HD1 )
  OR ( resid 49 and name HB1 )
     ( resid 51 and name HB2 )
  OR ( resid 49 and name HB1 )
     ( resid 56 and name HB )
ASSI ( resid 52 and name HG1 )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 2078 weight 1.1 volume 427.57660 ppm1 1.35900 ppm2 1.77900
  OR ( resid 52 and name HG1 )
     ( resid 52 and name HD1 )
ASSI ( resid 63 and name HD11 )
     ( resid 63 and name HB1 )
     6.0 0.1 0.1 peak 2079 weight 1.1 volume 929.81049 ppm1 0.84500 ppm2 1.94100
ASSI ( resid 63 and name HD21 )
     ( resid 63 and name HB1 )
     6.0 0.1 0.1 peak 2080 weight 1.1 volume 857.68121 ppm1 0.90000 ppm2 1.94000
ASSI ( resid 38 and name HD11 )
     ( resid 38 and name HB )
     6.0 0.1 0.1 peak 2081 weight 1.1 volume 508.00580 ppm1 0.86200 ppm2 1.77300
ASSI ( resid 60 and name HG21 )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 2082 weight 1.1 volume 486.97119 ppm1 0.34600 ppm2 2.92200
ASSI ( resid 56 and name HG21 )
     ( resid 56 and name HA )
     6.0 0.1 0.1 peak 2083 weight 1.1 volume 390.74100 ppm1 0.31300 ppm2 2.88500
ASSI ( resid 60 and name HG11 )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 2084 weight 1.1 volume 576.41083 ppm1 0.28100 ppm2 2.92200
ASSI ( resid 20 and name HD11 )
     ( resid 39 and name HB2 )
     6.0 0.1 0.1 peak 2085 weight 1.1 volume 63.45330 ppm1 0.35100 ppm2 2.78800
ASSI ( resid 20 and name HD11 )
     ( resid 39 and name HB1 )
     6.0 0.1 0.1 peak 2086 weight 1.1 volume 184.55341 ppm1 0.35300 ppm2 3.02400
ASSI ( resid 34 and name HD11 )
     ( resid 9 and name HA1 )
     6.0 0.1 0.1 peak 2087 weight 1.1 volume 199.04581 ppm1 0.17200 ppm2 3.24900
ASSI ( resid 14 and name HG21 )
     ( resid 55 and name HB2 )
     6.0 0.1 0.1 peak 2088 weight 1.1 volume 125.62410 ppm1 0.06200 ppm2 3.16000
ASSI ( resid 34 and name HD11 )
     ( resid 9 and name HA2 )
     6.0 0.1 0.1 peak 2089 weight 1.1 volume 140.69839 ppm1 0.17100 ppm2 3.62600
ASSI ( resid 14 and name HG21 )
     ( resid 55 and name HB1 )
     6.0 0.1 0.1 peak 2090 weight 1.1 volume 151.97099 ppm1 0.06100 ppm2 3.56000
ASSI ( resid 60 and name HG11 )
     ( resid 57 and name HA )
     6.0 0.1 0.1 peak 2091 weight 1.1 volume 184.41870 ppm1 0.28300 ppm2 3.58800
ASSI ( resid 20 and name HD11 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 2092 weight 1.1 volume 183.09129 ppm1 0.34800 ppm2 3.58800
ASSI ( resid 59 and name HG21 )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 2093 weight 1.1 volume 418.53110 ppm1 0.63200 ppm2 3.44000
ASSI ( resid 59 and name HD11 )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 2094 weight 1.1 volume 404.33459 ppm1 0.70600 ppm2 3.44300
ASSI ( resid 6 and name HN )
     ( resid 26 and name HG2 )
     6.0 0.1 0.1 peak 2095 weight 1.1 volume 200.62550 ppm1 8.02200 ppm2 2.19400
ASSI ( resid 46 and name HB1 )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 2096 weight 1.1 volume 10.65490 ppm1 3.69400 ppm2 4.63600
ASSI ( resid 41 and name HG1 )
     ( resid 41 and name HB )
     6.0 0.1 0.1 peak 2097 weight 1.1 volume 665.06238 ppm1 1.16300 ppm2 4.64400
  OR ( resid 41 and name HG21 )
     ( resid 41 and name HB )
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 2098 weight 1.1 volume 532.67682 ppm1 3.97700 ppm2 2.16100
ASSI ( resid 44 and name HA )
     ( resid 44 and name HN )
     6.0 0.1 0.1 peak 2099 weight 1.1 volume 914.76892 ppm1 3.95600 ppm2 7.97400
ASSI ( resid 52 and name HA )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 2100 weight 1.1 volume 287.79199 ppm1 3.95500 ppm2 7.48900
ASSI ( resid 44 and name HA )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 2101 weight 1.1 volume 447.59360 ppm1 3.95600 ppm2 7.16000
  OR ( resid 44 and name HA )
     ( resid 53 and name HN )
  OR ( resid 52 and name HA )
     ( resid 45 and name HN )
  OR ( resid 52 and name HA )
     ( resid 53 and name HN )
ASSI ( resid 25 and name HB2 )
     ( resid 37 and name HN )
     6.0 0.1 0.1 peak 2102 weight 1.1 volume 296.54929 ppm1 1.69900 ppm2 8.46400
  OR ( resid 25 and name HB1 )
     ( resid 37 and name HN )
ASSI ( resid 53 and name HE22 )
     ( resid 52 and name HB1 )
     6.0 0.1 0.1 peak 2103 weight 1.1 volume 58.31080 ppm1 7.03900 ppm2 1.47700
  OR ( resid 53 and name HE22 )
     ( resid 52 and name HB2 )
ASSI ( resid 50 and name HD21 )
     ( resid 51 and name HD1 )
     6.0 0.1 0.1 peak 2104 weight 1.1 volume 319.25690 ppm1 6.86600 ppm2 4.03400
  OR ( resid 10 and name HD1 )
     ( resid 51 and name HD1 )
  OR ( resid 10 and name HD2 )
     ( resid 51 and name HD1 )
ASSI ( resid 19 and name HN )
     ( resid 18 and name HB1 )
     6.0 0.1 0.1 peak 2105 weight 1.1 volume 166.97720 ppm1 7.76800 ppm2 1.50700
ASSI ( resid 43 and name HN )
     ( resid 42 and name HG1 )
     6.0 0.1 0.1 peak 2106 weight 1.1 volume 316.35089 ppm1 7.69900 ppm2 1.48600
  OR ( resid 43 and name HN )
     ( resid 43 and name HD1 )
  OR ( resid 43 and name HN )
     ( resid 43 and name HD2 )
  OR ( resid 43 and name HN )
     ( resid 42 and name HG2 )
  OR ( resid 43 and name HN )
     ( resid 45 and name HG )
ASSI ( resid 65 and name HN )
     ( resid 65 and name HG1 )
     6.0 0.1 0.1 peak 2107 weight 1.1 volume 179.67780 ppm1 7.67400 ppm2 1.43200
  OR ( resid 65 and name HN )
     ( resid 65 and name HG2 )
ASSI ( resid 14 and name HN )
     ( resid 13 and name HG2 )
     6.0 0.1 0.1 peak 2108 weight 1.1 volume 176.20959 ppm1 7.65800 ppm2 1.48800
ASSI ( resid 39 and name HD1 )
     ( resid 20 and name HD11 )
     6.0 0.1 0.1 peak 2109 weight 1.1 volume 449.98431 ppm1 7.14400 ppm2 0.34000
  OR ( resid 39 and name HD2 )
     ( resid 20 and name HD11 )
ASSI ( resid 8 and name HA )
     ( resid 8 and name HD11 )
     6.0 0.1 0.1 peak 2110 weight 1.1 volume 438.39331 ppm1 4.29100 ppm2 0.74100
ASSI ( resid 23 and name HE1 )
     ( resid 60 and name HG11 )
     6.0 0.1 0.1 peak 2111 weight 1.1 volume 523.70660 ppm1 7.10200 ppm2 0.27900
ASSI ( resid 23 and name HE1 )
     ( resid 60 and name HG21 )
     6.0 0.1 0.1 peak 2112 weight 1.1 volume 600.33179 ppm1 7.10800 ppm2 0.34200
ASSI ( resid 20 and name HG21 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 2113 weight 1.1 volume 128.96510 ppm1 1.04700 ppm2 5.09600
ASSI ( resid 49 and name HB1 )
     ( resid 49 and name HA )
     6.0 0.1 0.1 peak 2114 weight 1.1 volume 645.03772 ppm1 1.23800 ppm2 5.05200
ASSI ( resid 28 and name HB1 )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 2115 weight 1.1 volume 229.45380 ppm1 1.08800 ppm2 4.94200
ASSI ( resid 28 and name HB1 )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 2116 weight 1.1 volume 116.55510 ppm1 1.08900 ppm2 5.19800
ASSI ( resid 11 and name HG21 )
     ( resid 49 and name HA )
     6.0 0.1 0.1 peak 2117 weight 1.1 volume 187.14540 ppm1 1.52500 ppm2 5.05300
ASSI ( resid 49 and name HB1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 2118 weight 1.1 volume 36.49010 ppm1 1.24100 ppm2 4.91700
ASSI ( resid 49 and name HB1 )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 2119 weight 1.1 volume 102.37420 ppm1 1.23600 ppm2 4.82500
ASSI ( resid 36 and name HB1 )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 2120 weight 1.1 volume 173.25510 ppm1 1.35400 ppm2 4.82400
ASSI ( resid 36 and name HB1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 2121 weight 1.1 volume 69.50700 ppm1 1.35500 ppm2 4.92600
ASSI ( resid 17 and name HG2 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 2122 weight 1.1 volume 79.33460 ppm1 1.92500 ppm2 4.89000
  OR ( resid 17 and name HG1 )
     ( resid 16 and name HA )
ASSI ( resid 37 and name HG21 )
     ( resid 25 and name HA )
     6.0 0.1 0.1 peak 2123 weight 1.1 volume 136.47960 ppm1 -0.38200 ppm2 4.67100
ASSI ( resid 37 and name HG21 )
     ( resid 39 and name HA )
     6.0 0.1 0.1 peak 2124 weight 1.1 volume 73.00410 ppm1 -0.38100 ppm2 5.09400
ASSI ( attr store1 < -0.542 and attr store1 > -0.582 )
     ( attr store1 < 4.504 and attr store1 > 4.424 )
     6.0 0.1 0.1 peak 2125 volume 28.28030 ppm1 -0.56200 ppm2 4.46400
ASSI ( resid 56 and name HG11 )
     ( resid 53 and name HA )
     6.0 0.1 0.1 peak 2126 weight 1.1 volume 30.72880 ppm1 -0.55700 ppm2 4.23800
ASSI ( resid 37 and name HG21 )
     ( resid 37 and name HA )
     6.0 0.1 0.1 peak 2127 weight 1.1 volume 440.08121 ppm1 -0.38000 ppm2 4.37600
ASSI ( resid 34 and name HD11 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 2128 weight 1.1 volume 158.15950 ppm1 0.17100 ppm2 4.69000
ASSI ( resid 34 and name HD11 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 2129 weight 1.1 volume 218.54849 ppm1 0.17100 ppm2 4.28900
ASSI ( attr store1 < 0.08 and attr store1 > 0.04 )
     ( attr store1 < 4.503 and attr store1 > 4.423 )
     6.0 0.1 0.1 peak 2130 volume 54.87330 ppm1 0.06000 ppm2 4.46300
ASSI ( resid 38 and name HG21 )
     ( resid 38 and name HA )
     6.0 0.1 0.1 peak 2131 weight 1.1 volume 805.98059 ppm1 0.52500 ppm2 4.67800
ASSI ( resid 38 and name HG21 )
     ( resid 48 and name HA )
     6.0 0.1 0.1 peak 2132 weight 1.1 volume 99.46020 ppm1 0.52300 ppm2 4.82600
ASSI ( resid 14 and name HG21 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 2133 weight 1.1 volume 29.78740 ppm1 0.06000 ppm2 4.88900
ASSI ( resid 34 and name HG21 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 2134 weight 1.1 volume 585.31769 ppm1 0.68900 ppm2 4.68900
ASSI ( resid 37 and name HD11 )
     ( resid 37 and name HA )
     6.0 0.1 0.1 peak 2135 weight 1.1 volume 752.90277 ppm1 0.53000 ppm2 4.37500
ASSI ( resid 20 and name HD11 )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 2136 weight 1.1 volume 269.40100 ppm1 0.35300 ppm2 4.24900
ASSI ( resid 21 and name HG21 )
     ( resid 21 and name HA )
     6.0 0.1 0.1 peak 2137 weight 1.1 volume 420.72311 ppm1 0.72700 ppm2 4.46100
ASSI ( resid 8 and name HD11 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 2138 weight 1.1 volume 53.08300 ppm1 0.74600 ppm2 4.57300
ASSI ( resid 34 and name HD11 )
     ( resid 6 and name HB1 )
     6.0 0.1 0.1 peak 2139 weight 1.1 volume 83.15080 ppm1 0.17100 ppm2 2.84700
  OR ( resid 34 and name HD11 )
     ( resid 7 and name HB1 )
ASSI ( attr store1 < 0.97344 and attr store1 > 0.93344 )
     ( attr store1 < 4.68741 and attr store1 > 4.60741 )
     6.0 0.1 0.1 peak 2140 volume 82.17180 ppm1 0.95344 ppm2 4.64741
ASSI ( attr store1 < 1.374 and attr store1 > 1.334 )
     ( attr store1 < 4.071 and attr store1 > 3.991 )
     6.0 0.1 0.1 peak 2141 volume 139.19890 ppm1 1.35400 ppm2 4.03100
ASSI ( attr store1 < -0.54 and attr store1 > -0.58 )
     ( attr store1 < 8.493 and attr store1 > 8.413 )
     6.0 0.1 0.1 peak 2142 volume 140.59340 ppm1 -0.56000 ppm2 8.45300
ASSI ( resid 36 and name HB1 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 2143 weight 1.1 volume 321.59250 ppm1 1.35400 ppm2 2.84700
ASSI ( resid 59 and name HD11 )
     ( resid 15 and name HG )
     6.0 0.1 0.1 peak 2144 weight 1.1 volume 246.13341 ppm1 0.69800 ppm2 1.35100
ASSI ( resid 37 and name HG21 )
     ( resid 37 and name HG12 )
     6.0 0.1 0.1 peak 2145 weight 1.1 volume 336.31161 ppm1 -0.37900 ppm2 0.77700
ASSI ( resid 14 and name HG21 )
     ( resid 59 and name HD11 )
     6.0 0.1 0.1 peak 2146 weight 1.1 volume 173.37550 ppm1 0.06200 ppm2 0.71500
ASSI ( attr store1 < 0.086 and attr store1 > 0.046 )
     ( attr store1 < 0.39 and attr store1 > 0.31 )
     6.0 0.1 0.1 peak 2147 volume 33.58390 ppm1 0.06600 ppm2 0.35000
ASSI ( resid 40 and name HA )
     ( resid 40 and name HB1 )
     6.0 0.1 0.1 peak 2148 weight 1.1 volume 371.20810 ppm1 5.55400 ppm2 2.87200
  OR ( resid 40 and name HA )
     ( resid 42 and name HE1 )
  OR ( resid 40 and name HA )
     ( resid 42 and name HE2 )
ASSI ( resid 15 and name HN )
     ( resid 14 and name HB )
     6.0 0.1 0.1 peak 2149 weight 1.1 volume 25.34150 ppm1 5.52000 ppm2 1.10100
ASSI ( resid 15 and name HN )
     ( resid 55 and name HZ3 )
     6.0 0.1 0.1 peak 2150 weight 1.1 volume 16.57130 ppm1 5.51400 ppm2 6.51900
ASSI ( resid 55 and name HE3 )
     ( resid 15 and name HN )
     6.0 0.1 0.1 peak 2151 weight 1.1 volume 70.56900 ppm1 7.35200 ppm2 5.52000
ASSI ( resid 15 and name HA )
     ( resid 55 and name HZ3 )
     6.0 0.1 0.1 peak 2152 weight 1.1 volume 8.60650 ppm1 4.25800 ppm2 6.52000
ASSI ( attr store1 < 4.279 and attr store1 > 4.239 )
     ( attr store1 < 4.927 and attr store1 > 4.847 )
     6.0 0.1 0.1 peak 2153 volume 6.41860 ppm1 4.25900 ppm2 4.88700
ASSI ( resid 15 and name HB1 )
     ( resid 15 and name HD11 )
     6.0 0.1 0.1 peak 2154 weight 1.1 volume 180.25880 ppm1 1.28100 ppm2 0.72600
ASSI ( resid 51 and name HA )
     ( resid 51 and name HB1 )
     6.0 0.1 0.1 peak 2155 weight 1.1 volume 745.61389 ppm1 3.83500 ppm2 2.07400
  OR ( resid 51 and name HA )
     ( resid 17 and name HB2 )
  OR ( resid 17 and name HD1 )
     ( resid 51 and name HB1 )
  OR ( resid 17 and name HD1 )
     ( resid 17 and name HB2 )
  OR ( resid 17 and name HD2 )
     ( resid 51 and name HB1 )
  OR ( resid 17 and name HD2 )
     ( resid 17 and name HB2 )
ASSI ( resid 17 and name HD2 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 2156 weight 1.1 volume 106.59570 ppm1 3.84500 ppm2 8.55300
  OR ( resid 17 and name HD1 )
     ( resid 18 and name HN )
ASSI ( resid 59 and name HD11 )
     ( resid 17 and name HD1 )
     6.0 0.1 0.1 peak 2157 weight 1.1 volume 243.23990 ppm1 0.70000 ppm2 3.84800
  OR ( resid 59 and name HD11 )
     ( resid 17 and name HD2 )
ASSI ( resid 17 and name HA )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 2158 weight 1.1 volume 126.00960 ppm1 3.97700 ppm2 8.55300
ASSI ( resid 20 and name HG21 )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 2159 weight 1.1 volume 71.44840 ppm1 1.04600 ppm2 3.97800
ASSI ( attr store1 < 2.168 and attr store1 > 2.128 )
     ( attr store1 < 0.396 and attr store1 > 0.316 )
     6.0 0.1 0.1 peak 2160 volume 19.93990 ppm1 2.14800 ppm2 0.35600
ASSI ( resid 17 and name HG2 )
     ( resid 17 and name HD2 )
     6.0 0.1 0.1 peak 2161 weight 1.1 volume 676.85461 ppm1 1.92400 ppm2 3.84600
  OR ( resid 17 and name HG2 )
     ( resid 17 and name HD1 )
  OR ( resid 17 and name HG1 )
     ( resid 17 and name HD2 )
  OR ( resid 17 and name HG1 )
     ( resid 17 and name HD1 )
ASSI ( resid 20 and name HB )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 2162 weight 1.1 volume 631.59259 ppm1 1.92200 ppm2 3.97600
  OR ( resid 17 and name HG2 )
     ( resid 17 and name HA )
  OR ( resid 17 and name HG1 )
     ( resid 17 and name HA )
ASSI ( resid 51 and name HD1 )
     ( resid 51 and name HG1 )
     6.0 0.1 0.1 peak 2163 weight 1.1 volume 196.07899 ppm1 4.02200 ppm2 1.70400
ASSI ( resid 69 and name HN )
     ( resid 68 and name HN )
     6.0 0.1 0.1 peak 2164 weight 1.1 volume 37.44780 ppm1 8.45200 ppm2 8.32500
ASSI ( resid 68 and name HN )
     ( resid 69 and name HN )
     6.0 0.1 0.1 peak 2165 weight 1.1 volume 201.07471 ppm1 8.32200 ppm2 8.44900
ASSI ( resid 48 and name HN )
     ( resid 47 and name HN )
     6.0 0.1 0.1 peak 2166 weight 1.1 volume 238.51540 ppm1 9.07600 ppm2 9.00500
ASSI ( resid 20 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 2167 weight 1.1 volume 420.95349 ppm1 7.71500 ppm2 7.77800
ASSI ( resid 47 and name HB )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 2168 weight 1.1 volume 455.94711 ppm1 2.03400 ppm2 1.16700
  OR ( resid 47 and name HB )
     ( resid 41 and name HG21 )
ASSI ( resid 15 and name HD11 )
     ( resid 47 and name HG11 )
     6.0 0.1 0.1 peak 2169 weight 1.1 volume 388.72311 ppm1 0.73000 ppm2 1.16600
  OR ( resid 15 and name HD11 )
     ( resid 41 and name HG21 )
ASSI ( resid 16 and name HN )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 2170 weight 1.1 volume 24.28420 ppm1 8.23100 ppm2 8.55200
ASSI ( resid 46 and name HN )
     ( resid 40 and name HA )
     6.0 0.1 0.1 peak 2171 weight 1.1 volume 27.87520 ppm1 8.60300 ppm2 5.55200
ASSI ( resid 21 and name HN )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 2172 weight 1.1 volume 123.47570 ppm1 8.76900 ppm2 7.71800
ASSI ( resid 26 and name HN )
     ( resid 38 and name HN )
     6.0 0.1 0.1 peak 2173 weight 1.1 volume 415.71350 ppm1 8.79000 ppm2 8.86600
ASSI ( resid 38 and name HN )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 2174 weight 1.1 volume 190.49110 ppm1 8.87300 ppm2 8.78500
ASSI ( resid 25 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 2175 weight 1.1 volume 17.47420 ppm1 9.00300 ppm2 5.90900
ASSI ( resid 63 and name HN )
     ( resid 61 and name HA )
     6.0 0.1 0.1 peak 2176 weight 1.1 volume 142.42191 ppm1 8.26600 ppm2 3.86400
  OR ( resid 60 and name HN )
     ( resid 61 and name HA )
ASSI ( resid 62 and name HB2 )
     ( resid 62 and name HA )
     6.0 0.1 0.1 peak 2177 weight 1.1 volume 1140.42725 ppm1 1.58300 ppm2 3.92400
  OR ( resid 62 and name HB1 )
     ( resid 62 and name HA )
ASSI ( resid 64 and name HN )
     ( resid 66 and name HN )
     6.0 0.1 0.1 peak 2178 weight 1.1 volume 60.03150 ppm1 7.89200 ppm2 8.12200
ASSI ( resid 14 and name HN )
     ( resid 13 and name HN )
     6.0 0.1 0.1 peak 2179 weight 1.1 volume 58.97160 ppm1 7.65600 ppm2 8.08300
ASSI ( attr store1 < 8.042 and attr store1 > 8.002 )
     ( attr store1 < 8.493 and attr store1 > 8.413 )
     6.0 0.1 0.1 peak 2180 volume 33.85860 ppm1 8.02200 ppm2 8.45300
ASSI ( resid 32 and name HB2 )
     ( resid 26 and name HG1 )
     6.0 0.1 0.1 peak 2181 weight 1.1 volume 198.44031 ppm1 2.56900 ppm2 2.24700
ASSI ( resid 50 and name HB2 )
     ( resid 50 and name HB1 )
     6.0 0.1 0.1 peak 2182 weight 1.1 volume 248.50520 ppm1 2.72900 ppm2 3.12000
ASSI ( resid 53 and name HG1 )
     ( resid 50 and name HB2 )
     6.0 0.1 0.1 peak 2183 weight 1.1 volume 101.58150 ppm1 2.43621 ppm2 2.74149
  OR ( resid 53 and name HG1 )
     ( resid 50 and name HB1 )
ASSI ( resid 31 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 2184 weight 1.1 volume 31.25400 ppm1 8.20000 ppm2 4.63800
ASSI ( resid 13 and name HD1 )
     ( resid 13 and name HE )
     6.0 0.1 0.1 peak 2185 weight 1.1 volume 194.80150 ppm1 3.06000 ppm2 7.06300
  OR ( resid 13 and name HD2 )
     ( resid 13 and name HE )
ASSI ( resid 39 and name HZ )
     ( resid 60 and name HA )
     6.0 0.1 0.1 peak 2186 weight 1.1 volume 92.94840 ppm1 6.90400 ppm2 2.93900
  OR ( resid 39 and name HZ )
     ( resid 23 and name HB1 )
  OR ( resid 40 and name HD2 )
     ( resid 60 and name HA )
  OR ( resid 40 and name HD2 )
     ( resid 23 and name HB1 )
ASSI ( attr store1 < 1.74408 and attr store1 > 1.70408 )
     ( attr store1 < 7.74281 and attr store1 > 7.66281 )
     6.0 0.1 0.1 peak 2187 volume 175.76160 ppm1 1.72408 ppm2 7.70281
ASSI ( resid 34 and name HD11 )
     ( resid 6 and name HB2 )
     6.0 0.1 0.1 peak 2188 weight 1.1 volume 130.54350 ppm1 0.17113 ppm2 2.72234
  OR ( resid 34 and name HD11 )
     ( resid 7 and name HB2 )
ASSI ( resid 26 and name HG1 )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 2189 weight 1.1 volume 523.50153 ppm1 2.22453 ppm2 4.62707
  OR ( resid 26 and name HG2 )
     ( resid 26 and name HA )
ASSI ( resid 34 and name HB )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 2190 weight 1.1 volume 587.76459 ppm1 1.90449 ppm2 4.68908
ASSI ( resid 26 and name HB2 )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 2191 weight 1.1 volume 175.00909 ppm1 1.87517 ppm2 4.62329
ASSI ( resid 38 and name HB )
     ( resid 38 and name HA )
     6.0 0.1 0.1 peak 2192 weight 1.1 volume 109.48220 ppm1 1.77328 ppm2 4.67833
  OR ( resid 38 and name HB )
     ( resid 25 and name HA )
ASSI ( resid 25 and name HB2 )
     ( resid 25 and name HA )
     6.0 0.1 0.1 peak 2193 weight 1.1 volume 478.92920 ppm1 1.69097 ppm2 4.65263
  OR ( resid 25 and name HB1 )
     ( resid 25 and name HA )
ASSI ( resid 45 and name HB1 )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 2194 weight 1.1 volume 615.95111 ppm1 1.57478 ppm2 4.63899
  OR ( resid 45 and name HB2 )
     ( resid 45 and name HA )
ASSI ( resid 8 and name HB1 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 2195 weight 1.1 volume 146.88029 ppm1 1.57927 ppm2 4.56754
  OR ( resid 8 and name HB2 )
     ( resid 7 and name HA )
ASSI ( resid 45 and name HG )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 2196 weight 1.1 volume 405.63580 ppm1 1.48966 ppm2 4.63569
  OR ( resid 45 and name HG )
     ( resid 26 and name HA )
  OR ( resid 45 and name HG )
     ( resid 41 and name HB )
  OR ( resid 27 and name HB2 )
     ( resid 45 and name HA )
  OR ( resid 27 and name HB2 )
     ( resid 26 and name HA )
  OR ( resid 27 and name HB2 )
     ( resid 41 and name HB )
  OR ( resid 42 and name HG1 )
     ( resid 45 and name HA )
  OR ( resid 42 and name HG1 )
     ( resid 26 and name HA )
  OR ( resid 42 and name HG1 )
     ( resid 41 and name HB )
ASSI ( resid 36 and name HB1 )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 2197 weight 1.1 volume 313.55850 ppm1 1.35478 ppm2 4.67124
  OR ( resid 36 and name HB1 )
     ( resid 50 and name HA )
  OR ( resid 52 and name HG1 )
     ( resid 36 and name HA )
  OR ( resid 52 and name HG1 )
     ( resid 50 and name HA )
ASSI ( resid 28 and name HB1 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 2198 weight 1.1 volume 273.35840 ppm1 1.08852 ppm2 4.68822
ASSI ( resid 28 and name HB1 )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 2199 weight 1.1 volume 166.71091 ppm1 1.08930 ppm2 4.63322
ASSI ( resid 28 and name HB1 )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 2200 weight 1.1 volume 69.35080 ppm1 1.08783 ppm2 4.55379
ASSI ( resid 38 and name HG12 )
     ( resid 38 and name HA )
     6.0 0.1 0.1 peak 2201 weight 1.1 volume 221.96680 ppm1 1.02136 ppm2 4.68654
  OR ( resid 38 and name HG11 )
     ( resid 38 and name HA )
ASSI ( resid 45 and name HD11 )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 2202 weight 1.1 volume 561.84021 ppm1 0.84513 ppm2 4.63597
ASSI ( resid 38 and name HD11 )
     ( resid 38 and name HA )
     6.0 0.1 0.1 peak 2203 weight 1.1 volume 328.32111 ppm1 0.86620 ppm2 4.69378
ASSI ( attr store1 < 0.88427 and attr store1 > 0.84427 )
     ( attr store1 < 4.6041 and attr store1 > 4.5241 )
     6.0 0.1 0.1 peak 2204 volume 61.42800 ppm1 0.86427 ppm2 4.56410
ASSI ( resid 45 and name HD21 )
     ( resid 45 and name HA )
     6.0 0.1 0.1 peak 2205 weight 1.1 volume 303.11649 ppm1 0.88774 ppm2 4.63475

Dihedral Restraints:
assign (resid  1  and name c )(resid  2  and name n) 
       (resid  2  and name ca  )(resid  2  and name c ) 1 -90 70 2 ! 
assign (resid  2  and name c )(resid  3  and name n) 
       (resid  3  and name ca  )(resid  3  and name c ) 1 -90 70 2 ! 
assign (resid  3  and name c )(resid  4  and name n) 
       (resid  4  and name ca  )(resid  4  and name c ) 1 -80 50 2 !
assign (resid  4  and name c )(resid  5  and name n) 
       (resid  5  and name ca  )(resid  5  and name c ) 1 -90 50 2 !
assign (resid  5  and name c )(resid  6  and name n) 
       (resid  6  and name ca  )(resid  6  and name c ) 1 -90 50 2 !
assign (resid  6  and name c )(resid  7  and name n) 
       (resid  7  and name ca  )(resid  7  and name c ) 1 -90 70 2 !  
assign (resid  7  and name c )(resid  8  and name n) 
       (resid  8  and name ca  )(resid  8  and name c ) 1 -80 50 2 !
assign (resid  9  and name c )(resid  10  and name n) 
       (resid  10  and name ca  )(resid  10  and name c ) 1 -70 70 2 !
assign (resid  10  and name c )(resid  11  and name n) 
       (resid  11  and name ca  )(resid  11  and name c ) 1 -90 70 2 ! 
assign (resid  11  and name c )(resid  12  and name n) 
       (resid  12  and name ca  )(resid  12  and name c ) 1 -90 70 2 ! 
assign (resid  12  and name c )(resid  13  and name n) 
       (resid  13  and name ca  )(resid  13  and name c ) 1 -80 50 2 ! 
assign (resid  13  and name c )(resid  14  and name n) 
       (resid  14  and name ca  )(resid  14  and name c ) 1 -75 50 2 ! 
assign (resid  14  and name c )(resid  15  and name n) 
       (resid  15  and name ca  )(resid  15  and name c ) 1 -90 50 2 ! 
assign (resid  15  and name c )(resid  16  and name n) 
       (resid  16  and name ca  )(resid  16  and name c ) 1 -90 40 2 ! 
assign (resid  17  and name c )(resid  18  and name n) 
       (resid  18  and name ca  )(resid  18  and name c ) 1 -90 70 2 !
assign (resid  18  and name c )(resid  19  and name n) 
       (resid  19  and name ca  )(resid  19  and name c ) 1 -90 70 2 !
assign (resid  19  and name c )(resid  20  and name n) 
       (resid  20  and name ca  )(resid  20  and name c ) 1 -120 50 2 !
assign (resid  20  and name c )(resid  21  and name n) 
       (resid  21  and name ca  )(resid  21  and name c ) 1 -90 70 2 !  
assign (resid  22  and name c )(resid  23  and name n) 
       (resid  23  and name ca  )(resid  23  and name c ) 1 -90 70 2 !
assign (resid  23  and name c )(resid  24  and name n) 
       (resid  24  and name ca  )(resid  24  and name c ) 1 -120 50 2 ! 
assign (resid  24  and name c )(resid  25  and name n) 
       (resid  25  and name ca  )(resid  25  and name c ) 1 -90 70 2 ! 
assign (resid  25  and name c )(resid  26  and name n) 
       (resid  26  and name ca  )(resid  26  and name c ) 1 -90 70 2 ! 
assign (resid  26  and name c )(resid  27  and name n) 
       (resid  27  and name ca  )(resid  27  and name c ) 1 -90 70 2 ! 
assign (resid  27  and name c )(resid  28  and name n) 
       (resid  28  and name ca  )(resid  28  and name c ) 1 -90 70 2 ! 
assign (resid  28  and name c )(resid  29  and name n) 
       (resid  29  and name ca  )(resid  29  and name c ) 1 -90 50 2 ! 
assign (resid  29  and name c )(resid  30  and name n) 
       (resid  30  and name ca  )(resid  30  and name c ) 1 -90 70 2 !
assign (resid  31  and name c )(resid  32  and name n) 
       (resid  32  and name ca  )(resid  32  and name c ) 1 -90 40 2 !
assign (resid  32  and name c )(resid  33  and name n) 
       (resid  33  and name ca  )(resid  33  and name c ) 1 -90 50 2 ! 
assign (resid  33  and name c )(resid  34  and name n) 
       (resid  34  and name ca  )(resid  34  and name c ) 1 -90 50 2 ! 
assign (resid  34  and name c )(resid  35  and name n) 
       (resid  35  and name ca  )(resid  35  and name c ) 1 -120 50 2 ! 
assign (resid  35  and name c )(resid  36  and name n) 
       (resid  36  and name ca  )(resid  36  and name c ) 1 -90 70 2 ! 
assign (resid  36  and name c )(resid  37  and name n) 
       (resid  37  and name ca  )(resid  37  and name c ) 1 -120 50 2 !
assign (resid  37  and name c )(resid  38  and name n) 
       (resid  38  and name ca  )(resid  38  and name c ) 1 -90 70 2 ! 
assign (resid  38  and name c )(resid  39  and name n) 
       (resid  39  and name ca  )(resid  39  and name c ) 1 -90 70 2 ! 
assign (resid  39  and name c )(resid  40  and name n) 
       (resid  40  and name ca  )(resid  40  and name c ) 1 -120 50 2 ! 
assign (resid  40  and name c )(resid  41  and name n) 
       (resid  41  and name ca  )(resid  41  and name c ) 1 -120 50 2 ! 
assign (resid  41  and name c )(resid  42  and name n) 
       (resid  42  and name ca  )(resid  42  and name c ) 1 -90 70 2 !
assign (resid  42  and name c )(resid  43  and name n) 
       (resid  43  and name ca  )(resid  43  and name c ) 1 -90 50 2 !
assign (resid  43  and name c )(resid  44  and name n) 
       (resid  44  and name ca  )(resid  44  and name c ) 1 60 30 2 !  
assign (resid  44  and name c )(resid  45  and name n) 
       (resid  45  and name ca  )(resid  45  and name c ) 1 -120 50 2 !  
assign (resid  45  and name c )(resid  46  and name n) 
       (resid  46  and name ca  )(resid  46  and name c ) 1 -120 50 2 ! 
assign (resid  46  and name c )(resid  47  and name n) 
       (resid  47  and name ca  )(resid  47  and name c ) 1 -120 50 2 ! 
assign (resid  47  and name c )(resid  48  and name n) 
       (resid  48  and name ca  )(resid  48  and name c ) 1 -90 70 2 ! 
assign (resid  48  and name c )(resid  49  and name n) 
       (resid  49  and name ca  )(resid  49  and name c ) 1 -120 50 2 ! 
assign (resid  49  and name c )(resid  50  and name n) 
       (resid  50  and name ca  )(resid  50  and name c ) 1 -90 70 2 ! 
assign (resid  51  and name c )(resid  52  and name n) 
       (resid  52  and name ca  )(resid  52  and name c ) 1 -90 50 2 ! 
assign (resid  52  and name c )(resid  53  and name n) 
       (resid  53  and name ca  )(resid  53  and name c ) 1 -90 70 2 !
assign (resid  53  and name c )(resid  54  and name n) 
       (resid  54  and name ca  )(resid  54  and name c ) 1 -90 70 2 ! 
assign (resid  54  and name c )(resid  55  and name n) 
       (resid  55  and name ca  )(resid  55  and name c ) 1 -90 70 2 ! 
assign (resid  55  and name c )(resid  56  and name n) 
       (resid  56  and name ca  )(resid  56  and name c ) 1 -90 70 2 ! 
assign (resid  56  and name c )(resid  57  and name n) 
       (resid  57  and name ca  )(resid  57  and name c ) 1 -90 70 2 ! 
assign (resid  57  and name c )(resid  58  and name n) 
       (resid  58  and name ca  )(resid  58  and name c ) 1 -90 70 2 !
assign (resid  58  and name c )(resid  59  and name n) 
       (resid  59  and name ca  )(resid  59  and name c ) 1 -90 70 2 ! 
assign (resid  59  and name c )(resid  60  and name n) 
       (resid  60  and name ca  )(resid  60  and name c ) 1 -90 70 2 ! 
assign (resid  60  and name c )(resid  61  and name n) 
       (resid  61  and name ca  )(resid  61  and name c ) 1 -90 70 2 ! 
assign (resid  61  and name c )(resid  62  and name n) 
       (resid  62  and name ca  )(resid  62  and name c ) 1 -90 70 2 ! 
assign (resid  62  and name c )(resid  63  and name n) 
       (resid  63  and name ca  )(resid  63  and name c ) 1 -90 40 2 !
assign (resid  63  and name c )(resid  64  and name n) 
       (resid  64  and name ca  )(resid  64  and name c ) 1 -90 70 2 ! 
assign (resid  64  and name c )(resid  65  and name n) 
       (resid  65  and name ca  )(resid  65  and name c ) 1 -85 50 2 ! 
assign (resid  65  and name c )(resid  66  and name n) 
       (resid  66  and name ca  )(resid  66  and name c ) 1 -80 40 2 ! 
assign (resid  66  and name c )(resid  67  and name n) 
       (resid  67  and name ca  )(resid  67  and name c ) 1 -100 30 2 ! 
assign (resid  67  and name c )(resid  68  and name n) 
       (resid  68  and name ca  )(resid  68  and name c ) 1 -90 50 2 !
assign (resid  68  and name c )(resid  69  and name n) 
       (resid  69  and name ca  )(resid  69  and name c ) 1 -90 40 2 ! 
assign (resid  69  and name c )(resid  70  and name n) 
       (resid  70  and name ca  )(resid  70  and name c ) 1 -120 50 2 ! 

Hydrogen Bonding restraints:
assign (resid 37 and name o)(resid 49 and name hn) 1.95 0.35 0.35
assign (resid 37 and name o)(resid 49 and name n) 2.9 0.4 0.4

assign (resid 49 and name o)(resid 37 and name hn) 1.95 0.35 0.35
assign (resid 49 and name o)(resid 37 and name n) 2.9 0.4 0.4

assign (resid 26 and name o)(resid 36 and name hn) 1.95 0.35 0.35
assign (resid 26 and name o)(resid 36 and name n) 2.9 0.4 0.4

assign (resid 36 and name o)(resid 26 and name hn) 1.95 0.35 0.35
assign (resid 36 and name o)(resid 26 and name n) 2.9 0.4 0.4

assign (resid 47 and name o)(resid 39 and name hn) 1.95 0.35 0.35
assign (resid 47 and name o)(resid 39 and name n) 2.9 0.4 0.4

assign (resid 39 and name o)(resid 47 and name hn) 1.95 0.35 0.35
assign (resid 39 and name o)(resid 47 and name n) 2.9 0.4 0.4

assign (resid 24 and name o)(resid 38 and name hn) 1.95 0.35 0.35
assign (resid 24 and name o)(resid 38 and name n) 2.9 0.4 0.4

assign (resid 38 and name o)(resid 24 and name hn) 1.95 0.35 0.35
assign (resid 38 and name o)(resid 24 and name n) 2.9 0.4 0.4

assign (resid 56 and name o)(resid 60 and name hn) 1.95 0.35 0.35
assign (resid 56 and name o)(resid 60 and name n) 2.9 0.4 0.4

assign (resid 57 and name o)(resid 61 and name hn) 1.95 0.35 0.35
assign (resid 57 and name o)(resid 61 and name n) 2.9 0.4 0.4

assign (resid 58 and name o)(resid 62 and name hn) 1.95 0.35 0.35
assign (resid 58 and name o)(resid 62 and name n) 2.9 0.4 0.4

assign (resid 60 and name o)(resid 64 and name hn) 1.95 0.35 0.35
assign (resid 60 and name o)(resid 64 and name n) 2.9 0.4 0.4

assign (resid 55 and name o)(resid 59 and name hn) 1.95 0.35 0.35
assign (resid 55 and name o)(resid 59 and name n) 2.9 0.4 0.4

assign (resid 40 and name o)(resid 22 and name hn) 1.95 0.35 0.35
assign (resid 40 and name o)(resid 22 and name n) 2.9 0.4 0.4

assign (resid 17 and name o)(resid 20 and name hn) 1.95 0.35 0.35
assign (resid 17 and name o)(resid 20 and name n) 2.9 0.4 0.4

assign (resid 40 and name o)(resid 21 and name hn) 1.95 0.35 0.35
assign (resid 40 and name o)(resid 21 and name n) 2.9 0.4 0.4

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           1HT      ALA   1  19.093   6.753   4.503
    2    H2   ALA   1           2HT      ALA   1  20.076   6.762   5.884
    3    H3   ALA   1           3HT      ALA   1  18.450   7.234   5.991
    4    HA   ALA   1           HA       ALA   1  19.372   4.525   5.242
    5    HB1  ALA   1           1HB      ALA   1  18.271   5.529   7.867
    6    HB2  ALA   1           2HB      ALA   1  19.926   5.000   7.560
    7    HB3  ALA   1           3HB      ALA   1  18.598   3.844   7.467
    8    H    SER   2           H        SER   2  17.434   3.007   5.846
    9    HA   SER   2           HA       SER   2  15.169   3.867   4.290
   10    HB2  SER   2           2HB      SER   2  15.614   1.312   5.857
   11    HB3  SER   2           1HB      SER   2  14.378   1.577   4.626
   12    HG   SER   2           HG       SER   2  15.854   0.840   3.323
   13    H    ASN   3           H        ASN   3  13.322   4.717   5.089
   14    HA   ASN   3           HA       ASN   3  13.028   5.400   7.802
   15    HB2  ASN   3           2HB      ASN   3  10.986   5.244   5.576
   16    HB3  ASN   3           1HB      ASN   3  10.621   5.877   7.178
   17   HD21  ASN   3          1HD2      ASN   3  10.157   7.921   6.462
   18   HD22  ASN   3          2HD2      ASN   3  11.363   9.008   5.847
   19    H    PHE   4           H        PHE   4  11.301   2.969   5.888
   20    HA   PHE   4           HA       PHE   4  10.989   1.368   8.329
   21    HB2  PHE   4           2HB      PHE   4   8.735   0.715   7.640
   22    HB3  PHE   4           1HB      PHE   4   8.829   2.459   7.822
   23    HD1  PHE   4           1HD      PHE   4   8.881   3.916   5.843
   24    HD2  PHE   4           2HD      PHE   4   8.278  -0.285   5.550
   25    HE1  PHE   4           1HE      PHE   4   8.031   4.203   3.559
   26    HE2  PHE   4           2HE      PHE   4   7.430  -0.004   3.262
   27    HZ   PHE   4           HZ       PHE   4   7.303   2.241   2.264
   28    H    ASP   5           H        ASP   5  10.240  -0.917   7.650
   29    HA   ASP   5           HA       ASP   5  11.427  -1.702   5.080
   30    HB2  ASP   5           2HB      ASP   5  13.069  -2.245   6.777
   31    HB3  ASP   5           1HB      ASP   5  11.849  -3.052   7.754
   32    H    CYS   6           H        CYS   6   9.684  -2.222   3.965
   33    HA   CYS   6           HA       CYS   6   7.208  -2.936   4.792
   34    HB2  CYS   6           2HB      CYS   6   6.785  -3.445   2.531
   35    HB3  CYS   6           1HB      CYS   6   8.027  -2.210   2.519
   36    H    CYS   7           H        CYS   7   6.010  -4.863   4.623
   37    HA   CYS   7           HA       CYS   7   6.872  -7.037   6.062
   38    HB2  CYS   7           2HB      CYS   7   4.511  -6.351   5.439
   39    HB3  CYS   7           1HB      CYS   7   4.776  -7.192   3.913
   40    H    LEU   8           H        LEU   8   8.317  -8.552   5.662
   41    HA   LEU   8           HA       LEU   8   9.288  -8.985   2.972
   42    HB2  LEU   8           2HB      LEU   8  10.122 -10.266   5.571
   43    HB3  LEU   8           1HB      LEU   8  10.972 -10.392   4.044
   44    HG   LEU   8           HG       LEU   8  10.559  -7.829   5.576
   45   HD11  LEU   8          1HD1      LEU   8  12.062  -9.316   6.761
   46   HD12  LEU   8          2HD1      LEU   8  12.960  -7.977   6.046
   47   HD13  LEU   8          3HD1      LEU   8  12.999  -9.570   5.290
   48   HD21  LEU   8          3HD2      LEU   8  10.719  -7.437   3.199
   49   HD22  LEU   8          1HD2      LEU   8  12.159  -8.450   3.100
   50   HD23  LEU   8          2HD2      LEU   8  12.212  -6.928   3.991
   51    H    GLY   9           H        GLY   9   6.992 -10.375   5.012
   52    HA2  GLY   9           2HA      GLY   9   6.943 -12.819   3.361
   53    HA3  GLY   9           1HA      GLY   9   6.515 -12.816   5.066
   54    H    TYR  10           H        TYR  10   5.327 -12.649   1.957
   55    HA   TYR  10           HA       TYR  10   3.149 -10.821   2.442
   56    HB2  TYR  10           2HB      TYR  10   3.568 -12.687   0.101
   57    HB3  TYR  10           1HB      TYR  10   2.457 -11.331   0.175
   58    HD1  TYR  10           1HD      TYR  10   6.082 -12.132   0.375
   59    HD2  TYR  10           2HD      TYR  10   3.136  -9.235  -0.691
   60    HE1  TYR  10           1HE      TYR  10   7.824 -10.737  -0.646
   61    HE2  TYR  10           2HE      TYR  10   4.880  -7.842  -1.703
   62    HH   TYR  10           HH       TYR  10   7.197  -7.504  -1.729
   63    H    THR  11           H        THR  11   1.042 -11.982   1.186
   64    HA   THR  11           HA       THR  11   0.340 -14.317   2.842
   65    HB   THR  11           HB       THR  11  -0.706 -12.152   3.594
   66    HG1  THR  11           1HG      THR  11  -1.772 -14.460   3.521
   67   HG21  THR  11          3HG2      THR  11  -2.192 -12.339   0.975
   68   HG22  THR  11          1HG2      THR  11  -0.954 -11.144   1.370
   69   HG23  THR  11          2HG2      THR  11  -2.475 -11.163   2.260
   70    H    ASP  12           H        ASP  12  -1.623 -15.514   1.865
   71    HA   ASP  12           HA       ASP  12  -1.809 -15.151  -1.047
   72    HB2  ASP  12           2HB      ASP  12  -0.330 -17.092  -0.614
   73    HB3  ASP  12           1HB      ASP  12  -1.628 -17.850   0.305
   74    H    ARG  13           H        ARG  13  -3.693 -13.970  -0.367
   75    HA   ARG  13           HA       ARG  13  -5.990 -15.775  -0.124
   76    HB2  ARG  13           2HB      ARG  13  -5.633 -13.120   1.278
   77    HB3  ARG  13           1HB      ARG  13  -7.159 -13.994   1.181
   78    HG2  ARG  13           2HG      ARG  13  -6.119 -15.906   2.353
   79    HG3  ARG  13           1HG      ARG  13  -4.628 -14.978   2.500
   80    HD2  ARG  13           2HD      ARG  13  -5.672 -13.378   3.920
   81    HD3  ARG  13           1HD      ARG  13  -7.271 -14.054   3.601
   82    HE   ARG  13           HE       ARG  13  -5.951 -16.158   4.642
   83   HH11  ARG  13          1HH1      ARG  13  -6.250 -12.847   5.761
   84   HH12  ARG  13          2HH1      ARG  13  -6.181 -13.282   7.438
   85   HH21  ARG  13          1HH2      ARG  13  -5.883 -16.714   6.836
   86   HH22  ARG  13          2HH2      ARG  13  -6.016 -15.475   8.055
   87    H    ILE  14           H        ILE  14  -8.054 -14.535  -0.723
   88    HA   ILE  14           HA       ILE  14  -7.476 -12.366  -2.638
   89    HB   ILE  14           HB       ILE  14  -9.883 -14.190  -2.574
   90   HG12  ILE  14          2HG1      ILE  14  -7.537 -14.928  -3.566
   91   HG13  ILE  14          1HG1      ILE  14  -9.047 -15.347  -4.371
   92   HG21  ILE  14          1HG2      ILE  14 -10.560 -11.986  -3.241
   93   HG22  ILE  14          2HG2      ILE  14 -10.527 -13.023  -4.670
   94   HG23  ILE  14          3HG2      ILE  14  -9.217 -11.877  -4.379
   95   HD11  ILE  14          3HD1      ILE  14  -7.224 -13.054  -5.063
   96   HD12  ILE  14          1HD1      ILE  14  -8.780 -13.391  -5.828
   97   HD13  ILE  14          2HD1      ILE  14  -7.453 -14.546  -5.980
   98    H    LEU  15           H        LEU  15  -7.401 -10.905  -0.846
   99    HA   LEU  15           HA       LEU  15  -9.755 -10.550   0.786
  100    HB2  LEU  15           2HB      LEU  15  -7.233  -8.914   0.473
  101    HB3  LEU  15           1HB      LEU  15  -8.555  -8.433   1.525
  102    HG   LEU  15           HG       LEU  15  -7.061  -9.421   2.986
  103   HD11  LEU  15          1HD1      LEU  15  -7.990 -11.587   3.659
  104   HD12  LEU  15          2HD1      LEU  15  -8.881 -11.664   2.140
  105   HD13  LEU  15          3HD1      LEU  15  -9.245 -10.396   3.310
  106   HD21  LEU  15          3HD2      LEU  15  -6.548 -11.522   0.890
  107   HD22  LEU  15          1HD2      LEU  15  -5.846 -11.519   2.511
  108   HD23  LEU  15          2HD2      LEU  15  -5.466 -10.218   1.380
  109    H    HIS  16           H        HIS  16 -10.922  -8.442   0.792
  110    HA   HIS  16           HA       HIS  16 -11.109  -7.380  -1.948
  111    HB2  HIS  16           2HB      HIS  16 -13.419  -8.189  -0.178
  112    HB3  HIS  16           1HB      HIS  16 -13.562  -7.411  -1.742
  113    HD1  HIS  16           1HD      HIS  16 -14.979  -9.927  -1.378
  114    HD2  HIS  16           2HD      HIS  16 -11.015  -9.842  -2.613
  115    HE1  HIS  16           1HE      HIS  16 -14.606 -12.075  -2.523
  116    HE2  HIS  16           2HE      HIS  16 -12.275 -11.974  -3.451
  117    HA   PRO  17           HA       PRO  17 -12.093  -3.344  -0.081
  118    HB2  PRO  17           2HB      PRO  17 -14.759  -3.534  -1.377
  119    HB3  PRO  17           1HB      PRO  17 -13.562  -2.240  -1.470
  120    HG2  PRO  17           2HG      PRO  17 -14.001  -3.925  -3.514
  121    HG3  PRO  17           1HG      PRO  17 -12.391  -3.269  -3.170
  122    HD2  PRO  17           2HD      PRO  17 -13.473  -6.007  -2.676
  123    HD3  PRO  17           1HD      PRO  17 -11.815  -5.484  -3.048
  124    H    LYS  18           H        LYS  18 -14.235  -6.053  -0.171
  125    HA   LYS  18           HA       LYS  18 -16.147  -5.663   1.740
  126    HB2  LYS  18           2HB      LYS  18 -14.521  -8.125   1.083
  127    HB3  LYS  18           1HB      LYS  18 -15.910  -8.180   2.144
  128    HG2  LYS  18           2HG      LYS  18 -17.255  -7.261   0.212
  129    HG3  LYS  18           1HG      LYS  18 -15.841  -7.568  -0.792
  130    HD2  LYS  18           2HD      LYS  18 -15.904  -9.912  -0.231
  131    HD3  LYS  18           1HD      LYS  18 -17.220  -9.641   0.908
  132    HE2  LYS  18           2HE      LYS  18 -17.332  -9.281  -2.082
  133    HE3  LYS  18           1HE      LYS  18 -18.061 -10.589  -1.152
  134    HZ1  LYS  18           3HZ      LYS  18 -19.792  -9.098  -1.554
  135    HZ2  LYS  18           1HZ      LYS  18 -18.837  -7.738  -1.220
  136    HZ3  LYS  18           2HZ      LYS  18 -19.322  -8.757   0.042
  137    H    PHE  19           H        PHE  19 -12.709  -6.172   2.262
  138    HA   PHE  19           HA       PHE  19 -13.216  -6.256   5.165
  139    HB2  PHE  19           2HB      PHE  19 -11.093  -7.745   3.615
  140    HB3  PHE  19           1HB      PHE  19 -11.202  -7.689   5.368
  141    HD1  PHE  19           2HD      PHE  19 -12.833  -8.918   2.303
  142    HD2  PHE  19           1HD      PHE  19 -12.730  -9.046   6.553
  143    HE1  PHE  19           2HE      PHE  19 -14.309 -10.887   2.271
  144    HE2  PHE  19           1HE      PHE  19 -14.194 -11.019   6.538
  145    HZ   PHE  19           HZ       PHE  19 -14.988 -11.944   4.396
  146    H    ILE  20           H        ILE  20 -12.028  -4.301   2.836
  147    HA   ILE  20           HA       ILE  20  -9.630  -3.550   4.361
  148    HB   ILE  20           HB       ILE  20 -10.197  -3.581   1.488
  149   HG12  ILE  20          2HG1      ILE  20  -7.675  -3.889   1.595
  150   HG13  ILE  20          1HG1      ILE  20  -7.841  -3.893   3.331
  151   HG21  ILE  20          1HG2      ILE  20  -8.615  -1.796   0.972
  152   HG22  ILE  20          2HG2      ILE  20  -8.480  -1.404   2.686
  153   HG23  ILE  20          3HG2      ILE  20 -10.010  -1.155   1.840
  154   HD11  ILE  20          3HD1      ILE  20  -9.152  -5.834   1.439
  155   HD12  ILE  20          1HD1      ILE  20  -9.269  -5.847   3.199
  156   HD13  ILE  20          2HD1      ILE  20  -7.717  -6.143   2.418
  157    H    VAL  21           H        VAL  21  -9.531  -1.702   5.397
  158    HA   VAL  21           HA       VAL  21 -11.385   0.453   4.622
  159    HB   VAL  21           HB       VAL  21 -11.420   1.206   6.971
  160   HG11  VAL  21          1HG1      VAL  21 -13.216  -0.233   6.143
  161   HG12  VAL  21          2HG1      VAL  21 -12.892  -0.525   7.851
  162   HG13  VAL  21          3HG1      VAL  21 -12.301  -1.658   6.638
  163   HG21  VAL  21          3HG2      VAL  21 -10.597  -0.270   8.752
  164   HG22  VAL  21          1HG2      VAL  21  -9.290   0.297   7.712
  165   HG23  VAL  21          2HG2      VAL  21  -9.911  -1.343   7.534
  166    H    GLY  22           H        GLY  22  -8.236  -0.518   4.738
  167    HA2  GLY  22           2HA      GLY  22  -7.283   2.210   4.462
  168    HA3  GLY  22           1HA      GLY  22  -6.614   1.305   5.815
  169    H    PHE  23           H        PHE  23  -5.001   2.268   3.756
  170    HA   PHE  23           HA       PHE  23  -3.817  -0.174   2.732
  171    HB2  PHE  23           2HB      PHE  23  -5.176  -0.049   0.938
  172    HB3  PHE  23           1HB      PHE  23  -5.458   1.676   1.117
  173    HD1  PHE  23           1HD      PHE  23  -3.200  -0.882  -0.171
  174    HD2  PHE  23           2HD      PHE  23  -4.125   3.244   0.073
  175    HE1  PHE  23           1HE      PHE  23  -1.593  -0.428  -1.974
  176    HE2  PHE  23           2HE      PHE  23  -2.529   3.714  -1.749
  177    HZ   PHE  23           HZ       PHE  23  -1.268   1.852  -2.735
  178    H    THR  24           H        THR  24  -1.718   0.024   2.631
  179    HA   THR  24           HA       THR  24  -0.480   2.669   2.363
  180    HB   THR  24           HB       THR  24   0.377   0.563   4.368
  181    HG1  THR  24           1HG      THR  24  -0.617   3.178   4.895
  182   HG21  THR  24          3HG2      THR  24   1.473   3.326   3.811
  183   HG22  THR  24          1HG2      THR  24   2.278   1.794   3.468
  184   HG23  THR  24          2HG2      THR  24   1.970   2.273   5.136
  185    H    ARG  25           H        ARG  25   0.929   2.594   0.670
  186    HA   ARG  25           HA       ARG  25   1.605  -0.055  -0.373
  187    HB2  ARG  25           2HB      ARG  25   2.125   1.032  -2.447
  188    HB3  ARG  25           1HB      ARG  25   0.590   1.671  -1.872
  189    HG2  ARG  25           2HG      ARG  25   1.876   3.635  -0.952
  190    HG3  ARG  25           1HG      ARG  25   3.286   3.012  -1.812
  191    HD2  ARG  25           2HD      ARG  25   2.385   4.583  -3.280
  192    HD3  ARG  25           1HD      ARG  25   1.783   3.043  -3.893
  193    HE   ARG  25           HE       ARG  25   0.099   4.644  -2.097
  194   HH11  ARG  25          1HH1      ARG  25   0.700   3.301  -5.279
  195   HH12  ARG  25          2HH1      ARG  25  -0.909   3.632  -5.845
  196   HH21  ARG  25          1HH2      ARG  25  -1.988   5.108  -2.853
  197   HH22  ARG  25          2HH2      ARG  25  -2.445   4.641  -4.468
  198    H    GLN  26           H        GLN  26   3.651  -0.845  -0.473
  199    HA   GLN  26           HA       GLN  26   5.803   0.892   0.536
  200    HB2  GLN  26           2HB      GLN  26   5.338  -2.059   0.966
  201    HB3  GLN  26           1HB      GLN  26   6.833  -1.235   1.392
  202    HG2  GLN  26           2HG      GLN  26   5.822   0.002   3.067
  203    HG3  GLN  26           1HG      GLN  26   4.199  -0.314   2.439
  204   HE21  GLN  26          1HE2      GLN  26   4.749  -3.130   1.998
  205   HE22  GLN  26          2HE2      GLN  26   4.786  -3.866   3.560
  206    H    LEU  27           H        LEU  27   7.308   1.290  -0.878
  207    HA   LEU  27           HA       LEU  27   7.614  -0.466  -3.211
  208    HB2  LEU  27           2HB      LEU  27   8.291   2.416  -2.692
  209    HB3  LEU  27           1HB      LEU  27   8.995   1.553  -4.041
  210    HG   LEU  27           HG       LEU  27   6.660   1.111  -4.869
  211   HD11  LEU  27          1HD1      LEU  27   5.931   3.143  -2.765
  212   HD12  LEU  27          2HD1      LEU  27   5.452   1.446  -2.778
  213   HD13  LEU  27          3HD1      LEU  27   4.862   2.537  -4.031
  214   HD21  LEU  27          3HD2      LEU  27   7.493   3.997  -4.587
  215   HD22  LEU  27          1HD2      LEU  27   6.386   3.352  -5.798
  216   HD23  LEU  27          2HD2      LEU  27   8.082   2.867  -5.806
  217    H    ALA  28           H        ALA  28   9.846  -0.604  -4.096
  218    HA   ALA  28           HA       ALA  28  11.639  -1.453  -1.960
  219    HB1  ALA  28           1HB      ALA  28  11.757  -1.934  -4.933
  220    HB2  ALA  28           2HB      ALA  28  11.068  -3.036  -3.740
  221    HB3  ALA  28           3HB      ALA  28  12.796  -2.680  -3.720
  222    H    ASN  29           H        ASN  29  11.218   1.415  -3.029
  223    HA   ASN  29           HA       ASN  29  14.080   2.006  -3.179
  224    HB2  ASN  29           2HB      ASN  29  13.727   3.648  -4.971
  225    HB3  ASN  29           1HB      ASN  29  13.314   2.020  -5.492
  226   HD21  ASN  29          1HD2      ASN  29  11.183   1.512  -5.950
  227   HD22  ASN  29          2HD2      ASN  29   9.963   2.730  -6.131
  228    H    GLU  30           H        GLU  30  11.278   2.508  -1.579
  229    HA   GLU  30           HA       GLU  30  11.880   5.306  -0.957
  230    HB2  GLU  30           2HB      GLU  30   9.741   5.404   0.160
  231    HB3  GLU  30           1HB      GLU  30   9.524   4.734  -1.452
  232    HG2  GLU  30           2HG      GLU  30   9.403   2.492  -0.514
  233    HG3  GLU  30           1HG      GLU  30   9.658   3.148   1.102
  234    H    GLY  31           H        GLY  31  12.213   2.134   0.249
  235    HA2  GLY  31           2HA      GLY  31  13.860   2.844   2.388
  236    HA3  GLY  31           1HA      GLY  31  12.235   2.611   3.020
  237    H    CYS  32           H        CYS  32  11.215   0.555   1.754
  238    HA   CYS  32           HA       CYS  32  12.631  -1.686   2.745
  239    HB2  CYS  32           2HB      CYS  32  10.096  -1.434   2.394
  240    HB3  CYS  32           1HB      CYS  32  10.421  -1.827   0.712
  241    H    ASP  33           H        ASP  33  13.494  -3.467   1.497
  242    HA   ASP  33           HA       ASP  33  14.713  -2.620  -1.009
  243    HB2  ASP  33           2HB      ASP  33  16.085  -3.798   0.669
  244    HB3  ASP  33           1HB      ASP  33  15.032  -5.201   0.544
  245    H    ILE  34           H        ILE  34  12.072  -4.446   0.122
  246    HA   ILE  34           HA       ILE  34  11.576  -5.369  -2.621
  247    HB   ILE  34           HB       ILE  34  10.457  -7.277  -1.888
  248   HG12  ILE  34          2HG1      ILE  34  10.377  -6.143   0.916
  249   HG13  ILE  34          1HG1      ILE  34   9.019  -6.152  -0.207
  250   HG21  ILE  34          1HG2      ILE  34  12.651  -6.802   0.131
  251   HG22  ILE  34          2HG2      ILE  34  12.847  -7.466  -1.493
  252   HG23  ILE  34          3HG2      ILE  34  11.958  -8.375  -0.271
  253   HD11  ILE  34          3HD1      ILE  34   9.113  -8.611  -0.230
  254   HD12  ILE  34          1HD1      ILE  34   8.788  -7.939   1.367
  255   HD13  ILE  34          2HD1      ILE  34  10.397  -8.547   0.977
  256    H    ASN  35           H        ASN  35   8.938  -5.741  -2.713
  257    HA   ASN  35           HA       ASN  35   7.757  -3.278  -1.617
  258    HB2  ASN  35           2HB      ASN  35   6.508  -3.022  -3.792
  259    HB3  ASN  35           1HB      ASN  35   8.236  -2.717  -3.890
  260   HD21  ASN  35          1HD2      ASN  35   9.556  -4.197  -4.979
  261   HD22  ASN  35          2HD2      ASN  35   8.903  -5.361  -6.080
  262    H    ALA  36           H        ALA  36   5.914  -3.549  -0.632
  263    HA   ALA  36           HA       ALA  36   4.181  -5.801  -1.315
  264    HB1  ALA  36           1HB      ALA  36   5.088  -5.192   1.502
  265    HB2  ALA  36           2HB      ALA  36   5.539  -6.606   0.550
  266    HB3  ALA  36           3HB      ALA  36   3.863  -6.377   1.046
  267    H    ILE  37           H        ILE  37   2.094  -5.199  -1.345
  268    HA   ILE  37           HA       ILE  37   1.348  -2.521  -0.571
  269    HB   ILE  37           HB       ILE  37  -0.287  -4.802  -1.690
  270   HG12  ILE  37          2HG1      ILE  37   1.377  -4.003  -3.281
  271   HG13  ILE  37          1HG1      ILE  37  -0.229  -3.485  -3.789
  272   HG21  ILE  37          1HG2      ILE  37  -1.023  -1.925  -1.215
  273   HG22  ILE  37          2HG2      ILE  37  -1.739  -3.349  -0.462
  274   HG23  ILE  37          3HG2      ILE  37  -1.972  -3.046  -2.186
  275   HD11  ILE  37          3HD1      ILE  37   0.207  -1.256  -2.909
  276   HD12  ILE  37          1HD1      ILE  37   1.418  -1.725  -4.101
  277   HD13  ILE  37          2HD1      ILE  37   1.808  -1.773  -2.381
  278    H    ILE  38           H        ILE  38   0.558  -2.013   1.426
  279    HA   ILE  38           HA       ILE  38  -0.241  -4.227   3.165
  280    HB   ILE  38           HB       ILE  38   0.335  -1.347   3.857
  281   HG12  ILE  38          2HG1      ILE  38   2.326  -2.642   3.200
  282   HG13  ILE  38          1HG1      ILE  38   2.359  -2.208   4.906
  283   HG21  ILE  38          1HG2      ILE  38   0.231  -2.088   6.192
  284   HG22  ILE  38          2HG2      ILE  38  -0.288  -3.686   5.657
  285   HG23  ILE  38          3HG2      ILE  38  -1.316  -2.280   5.366
  286   HD11  ILE  38          3HD1      ILE  38   1.669  -4.456   5.502
  287   HD12  ILE  38          1HD1      ILE  38   3.135  -4.484   4.521
  288   HD13  ILE  38          2HD1      ILE  38   1.579  -4.893   3.796
  289    H    PHE  39           H        PHE  39  -2.316  -4.699   2.696
  290    HA   PHE  39           HA       PHE  39  -4.295  -2.563   2.641
  291    HB2  PHE  39           2HB      PHE  39  -4.558  -5.566   2.385
  292    HB3  PHE  39           1HB      PHE  39  -5.940  -4.481   2.439
  293    HD1  PHE  39           2HD      PHE  39  -5.002  -2.245   0.730
  294    HD2  PHE  39           1HD      PHE  39  -4.587  -6.461   0.277
  295    HE1  PHE  39           2HE      PHE  39  -4.851  -1.962  -1.719
  296    HE2  PHE  39           1HE      PHE  39  -4.423  -6.190  -2.156
  297    HZ   PHE  39           HZ       PHE  39  -4.543  -3.961  -3.162
  298    H    HIS  40           H        HIS  40  -5.298  -1.852   4.387
  299    HA   HIS  40           HA       HIS  40  -4.816  -3.243   6.914
  300    HB2  HIS  40           2HB      HIS  40  -6.033  -0.511   6.431
  301    HB3  HIS  40           1HB      HIS  40  -5.612  -1.186   7.998
  302    HD1  HIS  40           1HD      HIS  40  -3.516  -0.217   8.870
  303    HD2  HIS  40           2HD      HIS  40  -3.506  -0.464   4.721
  304    HE1  HIS  40           1HE      HIS  40  -1.330   0.794   8.122
  305    HE2  HIS  40           2HE      HIS  40  -1.457   0.839   5.619
  306    H    THR  41           H        THR  41  -6.283  -4.660   7.526
  307    HA   THR  41           HA       THR  41  -8.857  -4.758   6.295
  308    HB   THR  41           HB       THR  41  -9.255  -6.692   7.839
  309    HG1  THR  41           1HG      THR  41  -6.505  -6.472   8.524
  310   HG21  THR  41          3HG2      THR  41  -6.713  -6.740   6.213
  311   HG22  THR  41          1HG2      THR  41  -8.343  -7.033   5.606
  312   HG23  THR  41          2HG2      THR  41  -7.612  -8.158   6.752
  313    H    LYS  42           H        LYS  42 -10.878  -4.823   7.406
  314    HA   LYS  42           HA       LYS  42 -11.246  -2.806   9.390
  315    HB2  LYS  42           2HB      LYS  42 -12.910  -3.646   7.607
  316    HB3  LYS  42           1HB      LYS  42 -13.219  -4.985   8.701
  317    HG2  LYS  42           2HG      LYS  42 -13.814  -3.292  10.455
  318    HG3  LYS  42           1HG      LYS  42 -13.715  -2.061   9.201
  319    HD2  LYS  42           2HD      LYS  42 -16.015  -2.711   9.456
  320    HD3  LYS  42           1HD      LYS  42 -15.428  -3.307   7.903
  321    HE2  LYS  42           2HE      LYS  42 -16.711  -5.049   8.912
  322    HE3  LYS  42           1HE      LYS  42 -15.016  -5.518   8.989
  323    HZ1  LYS  42           3HZ      LYS  42 -15.084  -4.543  11.332
  324    HZ2  LYS  42           1HZ      LYS  42 -15.883  -6.016  11.084
  325    HZ3  LYS  42           2HZ      LYS  42 -16.767  -4.575  11.182
  326    H    LYS  43           H        LYS  43  -9.787  -5.644   9.671
  327    HA   LYS  43           HA       LYS  43 -10.830  -6.219  12.337
  328    HB2  LYS  43           2HB      LYS  43  -9.297  -7.906  10.374
  329    HB3  LYS  43           1HB      LYS  43  -9.373  -8.332  12.080
  330    HG2  LYS  43           2HG      LYS  43 -11.065  -9.583  11.068
  331    HG3  LYS  43           1HG      LYS  43 -11.904  -8.229  11.827
  332    HD2  LYS  43           2HD      LYS  43 -11.819  -7.072   9.589
  333    HD3  LYS  43           1HD      LYS  43 -11.233  -8.593   8.911
  334    HE2  LYS  43           2HE      LYS  43 -13.875  -8.090  10.268
  335    HE3  LYS  43           1HE      LYS  43 -13.604  -8.466   8.569
  336    HZ1  LYS  43           3HZ      LYS  43 -12.678 -10.639   9.326
  337    HZ2  LYS  43           1HZ      LYS  43 -14.334 -10.435   9.641
  338    HZ3  LYS  43           2HZ      LYS  43 -13.206 -10.262  10.894
  339    H    LYS  44           H        LYS  44  -8.765  -4.211  11.119
  340    HA   LYS  44           HA       LYS  44  -7.101  -2.968  12.022
  341    HB2  LYS  44           2HB      LYS  44  -7.469  -4.736  14.443
  342    HB3  LYS  44           1HB      LYS  44  -6.507  -3.266  14.398
  343    HG2  LYS  44           2HG      LYS  44  -8.481  -1.947  13.939
  344    HG3  LYS  44           1HG      LYS  44  -9.465  -3.408  13.876
  345    HD2  LYS  44           2HD      LYS  44  -8.935  -3.864  16.224
  346    HD3  LYS  44           1HD      LYS  44  -7.957  -2.394  16.285
  347    HE2  LYS  44           2HE      LYS  44  -9.939  -1.052  15.805
  348    HE3  LYS  44           1HE      LYS  44 -10.921  -2.514  15.704
  349    HZ1  LYS  44           3HZ      LYS  44 -10.447  -2.962  18.026
  350    HZ2  LYS  44           1HZ      LYS  44 -11.139  -1.422  17.859
  351    HZ3  LYS  44           2HZ      LYS  44  -9.473  -1.578  18.133
  352    H    LEU  45           H        LEU  45  -6.638  -5.679  10.680
  353    HA   LEU  45           HA       LEU  45  -3.868  -6.068  11.600
  354    HB2  LEU  45           2HB      LEU  45  -5.701  -7.978  10.157
  355    HB3  LEU  45           1HB      LEU  45  -4.008  -8.289  10.481
  356    HG   LEU  45           HG       LEU  45  -6.161  -7.916  12.568
  357   HD11  LEU  45          1HD1      LEU  45  -5.748 -10.301  13.035
  358   HD12  LEU  45          2HD1      LEU  45  -4.654 -10.364  11.653
  359   HD13  LEU  45          3HD1      LEU  45  -6.368 -10.034  11.405
  360   HD21  LEU  45          3HD2      LEU  45  -3.219  -8.542  12.845
  361   HD22  LEU  45          1HD2      LEU  45  -4.400  -8.617  14.153
  362   HD23  LEU  45          2HD2      LEU  45  -4.040  -7.073  13.379
  363    H    SER  46           H        SER  46  -2.222  -5.799  10.213
  364    HA   SER  46           HA       SER  46  -2.791  -4.616   7.644
  365    HB2  SER  46           2HB      SER  46  -0.203  -4.487   7.621
  366    HB3  SER  46           1HB      SER  46  -1.076  -3.495   8.792
  367    HG   SER  46           HG       SER  46   0.787  -4.775   9.593
  368    H    VAL  47           H        VAL  47  -3.084  -5.824   5.910
  369    HA   VAL  47           HA       VAL  47  -2.033  -8.533   5.804
  370    HB   VAL  47           HB       VAL  47  -3.824  -7.003   3.911
  371   HG11  VAL  47          1HG1      VAL  47  -2.544  -8.644   2.657
  372   HG12  VAL  47          2HG1      VAL  47  -4.223  -9.164   2.808
  373   HG13  VAL  47          3HG1      VAL  47  -2.979  -9.898   3.817
  374   HG21  VAL  47          3HG2      VAL  47  -5.558  -8.540   4.731
  375   HG22  VAL  47          1HG2      VAL  47  -4.891  -7.530   6.014
  376   HG23  VAL  47          2HG2      VAL  47  -4.396  -9.215   5.872
  377    H    CYS  48           H        CYS  48  -0.215  -9.081   4.764
  378    HA   CYS  48           HA       CYS  48   1.218  -7.059   3.279
  379    HB2  CYS  48           2HB      CYS  48   2.042  -9.934   3.679
  380    HB3  CYS  48           1HB      CYS  48   3.070  -8.565   3.272
  381    H    ALA  49           H        ALA  49  -0.211  -6.782   1.581
  382    HA   ALA  49           HA       ALA  49  -1.159  -8.932  -0.030
  383    HB1  ALA  49           1HB      ALA  49  -1.121  -5.979  -0.648
  384    HB2  ALA  49           2HB      ALA  49  -2.359  -6.780   0.315
  385    HB3  ALA  49           3HB      ALA  49  -2.152  -7.205  -1.385
  386    H    ASN  50           H        ASN  50  -0.373  -9.730  -1.888
  387    HA   ASN  50           HA       ASN  50   2.380  -9.117  -2.539
  388    HB2  ASN  50           2HB      ASN  50   0.484 -11.004  -3.953
  389    HB3  ASN  50           1HB      ASN  50   2.220 -10.928  -4.178
  390   HD21  ASN  50          1HD2      ASN  50   0.597 -10.793  -1.042
  391   HD22  ASN  50          2HD2      ASN  50   1.135 -12.355  -0.522
  392    HA   PRO  51           HA       PRO  51   1.103  -6.204  -5.697
  393    HB2  PRO  51           2HB      PRO  51   3.953  -6.369  -6.456
  394    HB3  PRO  51           1HB      PRO  51   2.985  -4.955  -6.027
  395    HG2  PRO  51           2HG      PRO  51   4.827  -5.921  -4.348
  396    HG3  PRO  51           1HG      PRO  51   3.286  -5.274  -3.752
  397    HD2  PRO  51           2HD      PRO  51   4.122  -8.130  -4.129
  398    HD3  PRO  51           1HD      PRO  51   3.230  -7.390  -2.776
  399    H    LYS  52           H        LYS  52   2.007  -9.333  -5.896
  400    HA   LYS  52           HA       LYS  52   2.600  -9.580  -8.715
  401    HB2  LYS  52           2HB      LYS  52   2.092 -11.675  -6.594
  402    HB3  LYS  52           1HB      LYS  52   2.777 -11.966  -8.187
  403    HG2  LYS  52           2HG      LYS  52   4.780 -10.825  -7.636
  404    HG3  LYS  52           1HG      LYS  52   4.072 -10.168  -6.157
  405    HD2  LYS  52           2HD      LYS  52   5.566 -12.027  -5.638
  406    HD3  LYS  52           1HD      LYS  52   3.899 -12.427  -5.231
  407    HE2  LYS  52           2HE      LYS  52   3.709 -13.650  -7.363
  408    HE3  LYS  52           1HE      LYS  52   5.407 -13.313  -7.688
  409    HZ1  LYS  52           3HZ      LYS  52   4.349 -14.898  -5.399
  410    HZ2  LYS  52           1HZ      LYS  52   5.990 -14.549  -5.679
  411    HZ3  LYS  52           2HZ      LYS  52   5.128 -15.513  -6.774
  412    H    GLN  53           H        GLN  53  -0.193  -9.681  -6.708
  413    HA   GLN  53           HA       GLN  53  -1.600 -11.497  -8.537
  414    HB2  GLN  53           2HB      GLN  53  -3.226 -11.543  -6.474
  415    HB3  GLN  53           1HB      GLN  53  -1.732 -12.477  -6.456
  416    HG2  GLN  53           2HG      GLN  53  -0.662 -10.512  -5.314
  417    HG3  GLN  53           1HG      GLN  53  -2.276  -9.843  -5.123
  418   HE21  GLN  53          1HE2      GLN  53  -2.090  -9.884  -2.911
  419   HE22  GLN  53          2HE2      GLN  53  -2.193 -11.360  -2.009
  420    H    THR  54           H        THR  54  -3.692 -11.047  -9.250
  421    HA   THR  54           HA       THR  54  -3.944  -8.349 -10.071
  422    HB   THR  54           HB       THR  54  -6.191  -9.362 -11.020
  423    HG1  THR  54           1HG      THR  54  -6.250 -11.528 -11.015
  424   HG21  THR  54          3HG2      THR  54  -4.305  -8.648 -12.383
  425   HG22  THR  54          1HG2      THR  54  -4.915 -10.202 -12.949
  426   HG23  THR  54          2HG2      THR  54  -3.436 -10.135 -11.992
  427    H    TRP  55           H        TRP  55  -5.677 -10.288  -7.660
  428    HA   TRP  55           HA       TRP  55  -7.802  -8.472  -7.314
  429    HB2  TRP  55           2HB      TRP  55  -8.334  -9.579  -5.294
  430    HB3  TRP  55           1HB      TRP  55  -7.769 -10.798  -6.420
  431    HD1  TRP  55           HD       TRP  55  -5.493 -11.962  -5.839
  432    HE1  TRP  55           1HE      TRP  55  -4.138 -12.146  -3.718
  433    HE3  TRP  55           3HE      TRP  55  -7.683  -8.293  -3.354
  434    HZ2  TRP  55           2HZ      TRP  55  -4.012 -10.810  -1.203
  435    HZ3  TRP  55           3HZ      TRP  55  -6.939  -7.755  -1.178
  436    HH2  TRP  55           HH       TRP  55  -5.165  -8.961  -0.057
  437    H    VAL  56           H        VAL  56  -4.585  -8.590  -6.050
  438    HA   VAL  56           HA       VAL  56  -4.826  -6.396  -4.271
  439    HB   VAL  56           HB       VAL  56  -2.532  -7.832  -5.555
  440   HG11  VAL  56          1HG1      VAL  56  -0.958  -6.392  -4.386
  441   HG12  VAL  56          2HG1      VAL  56  -2.283  -5.343  -3.887
  442   HG13  VAL  56          3HG1      VAL  56  -1.872  -5.495  -5.595
  443   HG21  VAL  56          3HG2      VAL  56  -1.949  -8.249  -3.207
  444   HG22  VAL  56          1HG2      VAL  56  -3.566  -8.823  -3.615
  445   HG23  VAL  56          2HG2      VAL  56  -3.365  -7.320  -2.715
  446    H    LYS  57           H        LYS  57  -3.675  -6.729  -7.608
  447    HA   LYS  57           HA       LYS  57  -3.031  -4.056  -8.078
  448    HB2  LYS  57           2HB      LYS  57  -4.141  -6.057 -10.059
  449    HB3  LYS  57           1HB      LYS  57  -3.284  -4.578 -10.463
  450    HG2  LYS  57           2HG      LYS  57  -1.258  -5.446  -9.436
  451    HG3  LYS  57           1HG      LYS  57  -2.111  -6.921  -8.972
  452    HD2  LYS  57           2HD      LYS  57  -2.602  -7.288 -11.408
  453    HD3  LYS  57           1HD      LYS  57  -1.521  -5.941 -11.762
  454    HE2  LYS  57           2HE      LYS  57  -0.736  -8.435 -10.260
  455    HE3  LYS  57           1HE      LYS  57  -0.446  -8.164 -11.976
  456    HZ1  LYS  57           3HZ      LYS  57   0.831  -6.133 -11.277
  457    HZ2  LYS  57           1HZ      LYS  57   1.535  -7.623 -10.864
  458    HZ3  LYS  57           2HZ      LYS  57   0.736  -6.712  -9.684
  459    H    TYR  58           H        TYR  58  -6.102  -5.781  -8.354
  460    HA   TYR  58           HA       TYR  58  -7.600  -3.719  -9.509
  461    HB2  TYR  58           2HB      TYR  58  -8.574  -5.829  -9.606
  462    HB3  TYR  58           1HB      TYR  58  -8.247  -6.171  -7.912
  463    HD1  TYR  58           2HD      TYR  58 -10.120  -3.512  -9.776
  464    HD2  TYR  58           1HD      TYR  58 -10.133  -6.418  -6.676
  465    HE1  TYR  58           2HE      TYR  58 -12.421  -2.880  -9.199
  466    HE2  TYR  58           1HE      TYR  58 -12.430  -5.810  -6.098
  467    HH   TYR  58           HH       TYR  58 -14.381  -3.861  -8.093
  468    H    ILE  59           H        ILE  59  -7.297  -4.697  -6.091
  469    HA   ILE  59           HA       ILE  59  -8.962  -2.658  -5.103
  470    HB   ILE  59           HB       ILE  59  -6.801  -4.173  -3.634
  471   HG12  ILE  59          2HG1      ILE  59  -9.792  -4.604  -3.710
  472   HG13  ILE  59          1HG1      ILE  59  -8.641  -5.540  -4.644
  473   HG21  ILE  59          1HG2      ILE  59  -9.125  -2.580  -2.553
  474   HG22  ILE  59          2HG2      ILE  59  -7.434  -2.086  -2.497
  475   HG23  ILE  59          3HG2      ILE  59  -7.966  -3.507  -1.599
  476   HD11  ILE  59          3HD1      ILE  59  -7.603  -6.310  -2.566
  477   HD12  ILE  59          1HD1      ILE  59  -9.307  -6.750  -2.676
  478   HD13  ILE  59          2HD1      ILE  59  -8.808  -5.402  -1.651
  479    H    VAL  60           H        VAL  60  -5.435  -2.788  -5.556
  480    HA   VAL  60           HA       VAL  60  -4.964  -0.298  -4.265
  481    HB   VAL  60           HB       VAL  60  -3.156  -1.974  -4.604
  482   HG11  VAL  60          1HG1      VAL  60  -1.986  -2.091  -6.744
  483   HG12  VAL  60          2HG1      VAL  60  -3.189  -1.027  -7.473
  484   HG13  VAL  60          3HG1      VAL  60  -3.658  -2.630  -6.904
  485   HG21  VAL  60          3HG2      VAL  60  -1.381  -0.361  -5.122
  486   HG22  VAL  60          1HG2      VAL  60  -2.590   0.307  -4.024
  487   HG23  VAL  60          2HG2      VAL  60  -2.592   0.770  -5.726
  488    H    ARG  61           H        ARG  61  -5.952  -1.127  -7.534
  489    HA   ARG  61           HA       ARG  61  -5.423   1.403  -8.710
  490    HB2  ARG  61           2HB      ARG  61  -7.544  -0.639  -9.395
  491    HB3  ARG  61           1HB      ARG  61  -7.221   0.796 -10.352
  492    HG2  ARG  61           2HG      ARG  61  -5.295  -1.461  -9.838
  493    HG3  ARG  61           1HG      ARG  61  -6.214  -1.196 -11.316
  494    HD2  ARG  61           2HD      ARG  61  -3.994  -0.409 -11.684
  495    HD3  ARG  61           1HD      ARG  61  -5.044   1.001 -11.559
  496    HE   ARG  61           HE       ARG  61  -4.140   0.722  -9.039
  497   HH11  ARG  61          1HH1      ARG  61  -2.431   0.663 -12.098
  498   HH12  ARG  61          2HH1      ARG  61  -1.042   1.501 -11.473
  499   HH21  ARG  61          1HH2      ARG  61  -2.306   1.790  -8.217
  500   HH22  ARG  61          2HH2      ARG  61  -0.958   2.127  -9.268
  501    H    LEU  62           H        LEU  62  -8.244   0.056  -7.063
  502    HA   LEU  62           HA       LEU  62  -9.843   2.385  -7.321
  503    HB2  LEU  62           2HB      LEU  62  -9.999   0.083  -5.378
  504    HB3  LEU  62           1HB      LEU  62 -11.213   1.340  -5.509
  505    HG   LEU  62           HG       LEU  62 -10.479  -0.686  -7.621
  506   HD11  LEU  62          1HD1      LEU  62 -12.988  -0.273  -6.004
  507   HD12  LEU  62          2HD1      LEU  62 -11.813  -1.569  -5.781
  508   HD13  LEU  62          3HD1      LEU  62 -12.758  -1.480  -7.268
  509   HD21  LEU  62          3HD2      LEU  62 -12.313   0.289  -8.925
  510   HD22  LEU  62          1HD2      LEU  62 -11.014   1.451  -8.659
  511   HD23  LEU  62          2HD2      LEU  62 -12.497   1.554  -7.710
  512    H    LEU  63           H        LEU  63  -7.580   1.238  -4.897
  513    HA   LEU  63           HA       LEU  63  -8.191   3.223  -2.965
  514    HB2  LEU  63           2HB      LEU  63  -5.895   1.340  -3.303
  515    HB3  LEU  63           1HB      LEU  63  -6.004   2.474  -1.963
  516    HG   LEU  63           HG       LEU  63  -8.138   0.441  -2.604
  517   HD11  LEU  63          1HD1      LEU  63  -6.122  -0.731  -2.022
  518   HD12  LEU  63          2HD1      LEU  63  -7.274  -0.816  -0.690
  519   HD13  LEU  63          3HD1      LEU  63  -5.904   0.292  -0.603
  520   HD21  LEU  63          3HD2      LEU  63  -8.911   2.380  -1.338
  521   HD22  LEU  63          1HD2      LEU  63  -7.638   2.116  -0.149
  522   HD23  LEU  63          2HD2      LEU  63  -8.921   0.922  -0.347
  523    H    SER  64           H        SER  64  -6.255   3.234  -5.804
  524    HA   SER  64           HA       SER  64  -4.943   5.721  -5.021
  525    HB2  SER  64           2HB      SER  64  -4.630   3.827  -7.323
  526    HB3  SER  64           1HB      SER  64  -4.089   5.494  -7.504
  527    HG   SER  64           HG       SER  64  -2.458   5.114  -6.248
  528    H    LYS  65           H        LYS  65  -7.832   4.745  -6.425
  529    HA   LYS  65           HA       LYS  65  -8.131   7.350  -7.760
  530    HB2  LYS  65           2HB      LYS  65  -9.014   4.626  -8.568
  531    HB3  LYS  65           1HB      LYS  65 -10.033   5.989  -8.997
  532    HG2  LYS  65           2HG      LYS  65  -8.015   7.019 -10.084
  533    HG3  LYS  65           1HG      LYS  65  -7.191   5.477  -9.822
  534    HD2  LYS  65           2HD      LYS  65  -8.757   4.315 -11.179
  535    HD3  LYS  65           1HD      LYS  65  -9.827   5.716 -11.254
  536    HE2  LYS  65           2HE      LYS  65  -8.083   6.942 -12.492
  537    HE3  LYS  65           1HE      LYS  65  -7.072   5.500 -12.468
  538    HZ1  LYS  65           3HZ      LYS  65  -8.344   5.817 -14.559
  539    HZ2  LYS  65           1HZ      LYS  65  -9.779   5.592 -13.688
  540    HZ3  LYS  65           2HZ      LYS  65  -8.648   4.333 -13.799
  541    H    LYS  66           H        LYS  66  -8.668   7.192  -5.060
  542    HA   LYS  66           HA       LYS  66 -11.492   6.851  -4.691
  543    HB2  LYS  66           2HB      LYS  66  -9.343   8.063  -2.979
  544    HB3  LYS  66           1HB      LYS  66 -11.039   8.177  -2.535
  545    HG2  LYS  66           2HG      LYS  66 -11.077   5.631  -2.734
  546    HG3  LYS  66           1HG      LYS  66  -9.316   5.731  -2.746
  547    HD2  LYS  66           2HD      LYS  66 -10.128   5.324  -0.487
  548    HD3  LYS  66           1HD      LYS  66  -9.384   6.922  -0.590
  549    HE2  LYS  66           2HE      LYS  66 -11.600   7.937  -0.806
  550    HE3  LYS  66           1HE      LYS  66 -12.346   6.342  -0.708
  551    HZ1  LYS  66           3HZ      LYS  66 -12.404   7.529   1.417
  552    HZ2  LYS  66           1HZ      LYS  66 -10.710   7.609   1.428
  553    HZ3  LYS  66           2HZ      LYS  66 -11.492   6.104   1.530
  554    H    VAL  67           H        VAL  67 -12.102   8.096  -6.554
  555    HA   VAL  67           HA       VAL  67 -11.903  10.985  -6.342
  556    HB   VAL  67           HB       VAL  67 -11.759  10.042  -8.577
  557   HG11  VAL  67          1HG1      VAL  67 -13.691   8.922  -9.624
  558   HG12  VAL  67          2HG1      VAL  67 -14.492   8.890  -8.051
  559   HG13  VAL  67          3HG1      VAL  67 -12.989   8.000  -8.294
  560   HG21  VAL  67          3HG2      VAL  67 -12.748  12.234  -8.406
  561   HG22  VAL  67          1HG2      VAL  67 -14.343  11.532  -8.134
  562   HG23  VAL  67          2HG2      VAL  67 -13.542  11.326  -9.692
  563    H    LYS  68           H        LYS  68 -13.489  12.310  -5.624
  564    HA   LYS  68           HA       LYS  68 -15.538  11.042  -4.041
  565    HB2  LYS  68           2HB      LYS  68 -14.229  13.006  -3.251
  566    HB3  LYS  68           1HB      LYS  68 -15.037  13.990  -4.465
  567    HG2  LYS  68           2HG      LYS  68 -16.040  14.245  -2.244
  568    HG3  LYS  68           1HG      LYS  68 -17.179  13.576  -3.414
  569    HD2  LYS  68           2HD      LYS  68 -16.779  11.337  -2.557
  570    HD3  LYS  68           1HD      LYS  68 -15.595  11.971  -1.414
  571    HE2  LYS  68           2HE      LYS  68 -17.325  13.231  -0.274
  572    HE3  LYS  68           1HE      LYS  68 -18.513  12.727  -1.477
  573    HZ1  LYS  68           3HZ      LYS  68 -18.447  10.527  -0.721
  574    HZ2  LYS  68           1HZ      LYS  68 -18.490  11.463   0.693
  575    HZ3  LYS  68           2HZ      LYS  68 -17.029  10.772   0.178
  576    H    ASN  69           H        ASN  69 -16.855  10.095  -5.621
  577    HA   ASN  69           HA       ASN  69 -18.470  11.926  -7.230
  578    HB2  ASN  69           2HB      ASN  69 -17.701   9.819  -8.281
  579    HB3  ASN  69           1HB      ASN  69 -18.556   8.901  -7.046
  580   HD21  ASN  69          1HD2      ASN  69 -19.974   7.871  -8.350
  581   HD22  ASN  69          2HD2      ASN  69 -21.206   8.682  -9.260
  582    H    MET  70           H        MET  70 -18.728   9.601  -4.599
  583    HA   MET  70           HA       MET  70 -21.368  10.705  -3.937
  584    HB2  MET  70           2HB      MET  70 -21.578   8.418  -4.828
  585    HB3  MET  70           1HB      MET  70 -20.446   7.840  -3.612
  586    HG2  MET  70           2HG      MET  70 -21.995   8.359  -1.850
  587    HG3  MET  70           1HG      MET  70 -23.099   9.117  -2.996
  588    HE1  MET  70           3HE      MET  70 -24.557   7.834  -4.740
  589    HE2  MET  70           1HE      MET  70 -24.378   6.119  -5.096
  590    HE3  MET  70           2HE      MET  70 -23.062   7.239  -5.461
  Start of MODEL    2
    1    H1   ALA   1           1HT      ALA   1  19.790   4.731   4.426
    2    H2   ALA   1           2HT      ALA   1  20.011   3.654   5.719
    3    H3   ALA   1           3HT      ALA   1  20.655   5.221   5.799
    4    HA   ALA   1           HA       ALA   1  18.685   5.027   7.153
    5    HB1  ALA   1           1HB      ALA   1  17.476   6.947   6.249
    6    HB2  ALA   1           2HB      ALA   1  18.296   6.740   4.700
    7    HB3  ALA   1           3HB      ALA   1  19.223   7.179   6.137
    8    H    SER   2           H        SER   2  17.470   3.215   7.271
    9    HA   SER   2           HA       SER   2  15.444   2.859   5.152
   10    HB2  SER   2           2HB      SER   2  16.292   0.770   7.173
   11    HB3  SER   2           1HB      SER   2  15.277   0.542   5.744
   12    HG   SER   2           HG       SER   2  17.994   1.373   5.669
   13    H    ASN   3           H        ASN   3  13.701   3.947   5.794
   14    HA   ASN   3           HA       ASN   3  13.025   4.541   8.455
   15    HB2  ASN   3           2HB      ASN   3  12.158   5.787   6.491
   16    HB3  ASN   3           1HB      ASN   3  11.176   4.389   6.060
   17   HD21  ASN   3          1HD2      ASN   3  11.607   7.019   8.276
   18   HD22  ASN   3          2HD2      ASN   3  10.045   6.916   9.016
   19    H    PHE   4           H        PHE   4  11.721   2.121   6.238
   20    HA   PHE   4           HA       PHE   4  10.908   0.513   8.555
   21    HB2  PHE   4           2HB      PHE   4   8.863  -0.138   7.272
   22    HB3  PHE   4           1HB      PHE   4   8.901   1.552   7.735
   23    HD1  PHE   4           2HD      PHE   4   9.582  -0.726   4.916
   24    HD2  PHE   4           1HD      PHE   4   8.654   3.238   6.135
   25    HE1  PHE   4           2HE      PHE   4   9.269  -0.092   2.576
   26    HE2  PHE   4           1HE      PHE   4   8.343   3.891   3.783
   27    HZ   PHE   4           HZ       PHE   4   8.645   2.215   1.996
   28    H    ASP   5           H        ASP   5  10.091  -1.706   7.536
   29    HA   ASP   5           HA       ASP   5  11.780  -2.453   5.272
   30    HB2  ASP   5           2HB      ASP   5  12.219  -4.650   6.323
   31    HB3  ASP   5           1HB      ASP   5  12.910  -3.311   7.231
   32    H    CYS   6           H        CYS   6  10.481  -2.894   3.709
   33    HA   CYS   6           HA       CYS   6   7.875  -3.569   3.575
   34    HB2  CYS   6           2HB      CYS   6   8.356  -4.465   1.394
   35    HB3  CYS   6           1HB      CYS   6   9.417  -3.101   1.666
   36    H    CYS   7           H        CYS   7   6.721  -5.549   3.376
   37    HA   CYS   7           HA       CYS   7   7.302  -7.405   5.383
   38    HB2  CYS   7           2HB      CYS   7   5.451  -7.780   3.026
   39    HB3  CYS   7           1HB      CYS   7   5.388  -8.645   4.558
   40    H    LEU   8           H        LEU   8   8.825  -8.916   5.398
   41    HA   LEU   8           HA       LEU   8  10.108  -9.908   3.075
   42    HB2  LEU   8           2HB      LEU   8  10.050 -11.081   5.857
   43    HB3  LEU   8           1HB      LEU   8  11.193 -11.489   4.593
   44    HG   LEU   8           HG       LEU   8  10.951  -8.787   5.921
   45   HD11  LEU   8          1HD1      LEU   8  13.028 -10.963   6.187
   46   HD12  LEU   8          2HD1      LEU   8  11.869 -10.469   7.424
   47   HD13  LEU   8          3HD1      LEU   8  13.133  -9.354   6.903
   48   HD21  LEU   8          3HD2      LEU   8  12.966  -9.817   3.927
   49   HD22  LEU   8          1HD2      LEU   8  12.991  -8.238   4.713
   50   HD23  LEU   8          2HD2      LEU   8  11.692  -8.645   3.590
   51    H    GLY   9           H        GLY   9   7.189 -10.686   4.626
   52    HA2  GLY   9           2HA      GLY   9   6.838 -12.951   2.797
   53    HA3  GLY   9           1HA      GLY   9   6.455 -13.161   4.498
   54    H    TYR  10           H        TYR  10   5.548 -11.507   1.540
   55    HA   TYR  10           HA       TYR  10   3.152 -10.428   2.647
   56    HB2  TYR  10           2HB      TYR  10   2.518 -10.030   0.220
   57    HB3  TYR  10           1HB      TYR  10   3.941  -9.201   0.822
   58    HD1  TYR  10           1HD      TYR  10   4.725 -12.579   0.303
   59    HD2  TYR  10           2HD      TYR  10   4.089  -8.932  -1.775
   60    HE1  TYR  10           1HE      TYR  10   6.032 -13.450  -1.607
   61    HE2  TYR  10           2HE      TYR  10   5.389  -9.775  -3.689
   62    HH   TYR  10           HH       TYR  10   7.176 -11.485  -4.094
   63    H    THR  11           H        THR  11   0.964 -11.030   1.771
   64    HA   THR  11           HA       THR  11   0.688 -13.730   2.755
   65    HB   THR  11           HB       THR  11  -0.645 -11.843   3.642
   66    HG1  THR  11           1HG      THR  11  -1.952 -13.428   4.147
   67   HG21  THR  11          3HG2      THR  11  -2.054 -11.966   0.974
   68   HG22  THR  11          1HG2      THR  11  -1.028 -10.646   1.534
   69   HG23  THR  11          2HG2      THR  11  -2.547 -10.995   2.361
   70    H    ASP  12           H        ASP  12  -0.805 -15.270   1.867
   71    HA   ASP  12           HA       ASP  12  -1.150 -15.105  -1.056
   72    HB2  ASP  12           2HB      ASP  12   0.503 -16.848  -0.346
   73    HB3  ASP  12           1HB      ASP  12  -0.763 -17.609   0.608
   74    H    ARG  13           H        ARG  13  -3.108 -14.002  -0.421
   75    HA   ARG  13           HA       ARG  13  -5.272 -15.866   0.285
   76    HB2  ARG  13           2HB      ARG  13  -4.972 -13.000   1.203
   77    HB3  ARG  13           1HB      ARG  13  -6.409 -13.981   1.431
   78    HG2  ARG  13           2HG      ARG  13  -3.708 -14.669   2.576
   79    HG3  ARG  13           1HG      ARG  13  -4.982 -13.812   3.448
   80    HD2  ARG  13           2HD      ARG  13  -5.862 -15.769   4.029
   81    HD3  ARG  13           1HD      ARG  13  -6.165 -16.109   2.327
   82    HE   ARG  13           HE       ARG  13  -3.785 -17.006   2.354
   83   HH11  ARG  13          1HH1      ARG  13  -5.964 -17.115   5.104
   84   HH12  ARG  13          2HH1      ARG  13  -5.198 -18.504   5.813
   85   HH21  ARG  13          1HH2      ARG  13  -2.775 -18.826   3.282
   86   HH22  ARG  13          2HH2      ARG  13  -3.370 -19.474   4.784
   87    H    ILE  14           H        ILE  14  -7.430 -14.887  -0.234
   88    HA   ILE  14           HA       ILE  14  -7.318 -12.813  -2.313
   89    HB   ILE  14           HB       ILE  14  -9.386 -14.988  -1.939
   90   HG12  ILE  14          2HG1      ILE  14  -7.148 -15.327  -3.265
   91   HG13  ILE  14          1HG1      ILE  14  -8.665 -15.930  -3.921
   92   HG21  ILE  14          1HG2      ILE  14 -10.593 -13.981  -3.822
   93   HG22  ILE  14          2HG2      ILE  14  -9.456 -12.632  -3.810
   94   HG23  ILE  14          3HG2      ILE  14 -10.516 -12.906  -2.428
   95   HD11  ILE  14          3HD1      ILE  14  -8.847 -13.888  -5.285
   96   HD12  ILE  14          1HD1      ILE  14  -7.410 -14.846  -5.661
   97   HD13  ILE  14          2HD1      ILE  14  -7.266 -13.383  -4.686
   98    H    LEU  15           H        LEU  15  -7.248 -11.240  -0.586
   99    HA   LEU  15           HA       LEU  15  -9.570 -11.050   1.149
  100    HB2  LEU  15           2HB      LEU  15  -7.264  -9.137   0.733
  101    HB3  LEU  15           1HB      LEU  15  -8.577  -8.868   1.863
  102    HG   LEU  15           HG       LEU  15  -6.932  -9.652   3.245
  103   HD11  LEU  15          1HD1      LEU  15  -8.881 -11.044   3.584
  104   HD12  LEU  15          2HD1      LEU  15  -7.405 -11.971   3.861
  105   HD13  LEU  15          3HD1      LEU  15  -8.305 -12.177   2.360
  106   HD21  LEU  15          3HD2      LEU  15  -5.344 -11.424   2.680
  107   HD22  LEU  15          1HD2      LEU  15  -5.287 -10.082   1.536
  108   HD23  LEU  15          2HD2      LEU  15  -6.099 -11.583   1.092
  109    H    HIS  16           H        HIS  16 -10.713  -8.808   1.148
  110    HA   HIS  16           HA       HIS  16 -11.107  -8.020  -1.650
  111    HB2  HIS  16           2HB      HIS  16 -13.255  -8.748   0.334
  112    HB3  HIS  16           1HB      HIS  16 -13.560  -7.986  -1.223
  113    HD1  HIS  16           1HD      HIS  16 -14.796 -10.646  -0.542
  114    HD2  HIS  16           2HD      HIS  16 -11.142 -10.283  -2.483
  115    HE1  HIS  16           1HE      HIS  16 -14.559 -12.700  -1.862
  116    HE2  HIS  16           2HE      HIS  16 -12.477 -12.401  -3.241
  117    HA   PRO  17           HA       PRO  17 -11.818  -3.813  -0.099
  118    HB2  PRO  17           2HB      PRO  17 -14.192  -3.266  -1.422
  119    HB3  PRO  17           1HB      PRO  17 -12.585  -3.025  -2.111
  120    HG2  PRO  17           2HG      PRO  17 -14.499  -5.278  -2.501
  121    HG3  PRO  17           1HG      PRO  17 -13.420  -4.507  -3.673
  122    HD2  PRO  17           2HD      PRO  17 -12.850  -6.898  -2.578
  123    HD3  PRO  17           1HD      PRO  17 -11.579  -5.713  -2.968
  124    H    LYS  18           H        LYS  18 -14.154  -6.343  -0.187
  125    HA   LYS  18           HA       LYS  18 -16.085  -5.719   1.637
  126    HB2  LYS  18           2HB      LYS  18 -14.556  -8.304   1.260
  127    HB3  LYS  18           1HB      LYS  18 -16.015  -8.202   2.213
  128    HG2  LYS  18           2HG      LYS  18 -17.245  -7.508   0.199
  129    HG3  LYS  18           1HG      LYS  18 -15.769  -7.678  -0.739
  130    HD2  LYS  18           2HD      LYS  18 -15.675 -10.023  -0.242
  131    HD3  LYS  18           1HD      LYS  18 -17.037  -9.887   0.868
  132    HE2  LYS  18           2HE      LYS  18 -17.222  -9.241  -2.064
  133    HE3  LYS  18           1HE      LYS  18 -17.555 -10.840  -1.401
  134    HZ1  LYS  18           3HZ      LYS  18 -19.244  -9.771   0.044
  135    HZ2  LYS  18           1HZ      LYS  18 -19.606  -9.689  -1.611
  136    HZ3  LYS  18           2HZ      LYS  18 -19.010  -8.325  -0.809
  137    H    PHE  19           H        PHE  19 -12.681  -6.191   2.242
  138    HA   PHE  19           HA       PHE  19 -13.181  -6.172   5.146
  139    HB2  PHE  19           2HB      PHE  19 -10.977  -7.663   3.706
  140    HB3  PHE  19           1HB      PHE  19 -11.263  -7.651   5.442
  141    HD1  PHE  19           2HD      PHE  19 -13.123  -8.893   6.405
  142    HD2  PHE  19           1HD      PHE  19 -12.339  -8.977   2.222
  143    HE1  PHE  19           2HE      PHE  19 -14.594 -10.854   6.170
  144    HE2  PHE  19           1HE      PHE  19 -13.806 -10.937   1.979
  145    HZ   PHE  19           HZ       PHE  19 -14.935 -11.879   3.958
  146    H    ILE  20           H        ILE  20 -11.981  -4.348   2.703
  147    HA   ILE  20           HA       ILE  20  -9.584  -3.517   4.189
  148    HB   ILE  20           HB       ILE  20 -10.255  -3.368   1.263
  149   HG12  ILE  20          2HG1      ILE  20  -7.680  -4.313   2.456
  150   HG13  ILE  20          1HG1      ILE  20  -9.101  -5.354   2.535
  151   HG21  ILE  20          1HG2      ILE  20  -8.036  -1.904   2.695
  152   HG22  ILE  20          2HG2      ILE  20  -9.356  -1.188   1.768
  153   HG23  ILE  20          3HG2      ILE  20  -8.116  -2.137   0.948
  154   HD11  ILE  20          3HD1      ILE  20  -9.260  -5.316   0.125
  155   HD12  ILE  20          1HD1      ILE  20  -7.668  -5.865   0.645
  156   HD13  ILE  20          2HD1      ILE  20  -7.879  -4.222   0.037
  157    H    VAL  21           H        VAL  21  -9.585  -1.644   5.195
  158    HA   VAL  21           HA       VAL  21 -11.443   0.465   4.292
  159    HB   VAL  21           HB       VAL  21 -11.511   1.274   6.646
  160   HG11  VAL  21          1HG1      VAL  21 -13.051  -0.436   7.470
  161   HG12  VAL  21          2HG1      VAL  21 -12.460  -1.560   6.248
  162   HG13  VAL  21          3HG1      VAL  21 -13.319  -0.100   5.759
  163   HG21  VAL  21          3HG2      VAL  21 -10.098  -1.324   7.234
  164   HG22  VAL  21          1HG2      VAL  21 -10.822  -0.266   8.442
  165   HG23  VAL  21          2HG2      VAL  21  -9.456   0.302   7.481
  166    H    GLY  22           H        GLY  22  -8.299  -0.385   4.359
  167    HA2  GLY  22           2HA      GLY  22  -7.440   2.339   3.947
  168    HA3  GLY  22           1HA      GLY  22  -6.739   1.581   5.372
  169    H    PHE  23           H        PHE  23  -5.241   2.475   3.132
  170    HA   PHE  23           HA       PHE  23  -3.923  -0.013   2.364
  171    HB2  PHE  23           2HB      PHE  23  -5.290  -0.063   0.566
  172    HB3  PHE  23           1HB      PHE  23  -5.573   1.674   0.581
  173    HD1  PHE  23           1HD      PHE  23  -3.199  -0.961  -0.382
  174    HD2  PHE  23           2HD      PHE  23  -4.308   3.117  -0.662
  175    HE1  PHE  23           1HE      PHE  23  -1.618  -0.675  -2.232
  176    HE2  PHE  23           2HE      PHE  23  -2.727   3.416  -2.539
  177    HZ   PHE  23           HZ       PHE  23  -1.409   1.489  -3.289
  178    H    THR  24           H        THR  24  -1.830   0.227   2.222
  179    HA   THR  24           HA       THR  24  -0.643   2.849   1.692
  180    HB   THR  24           HB       THR  24   0.236   1.112   4.008
  181    HG1  THR  24           1HG      THR  24  -1.201   3.580   3.972
  182   HG21  THR  24          3HG2      THR  24   1.677   2.982   4.589
  183   HG22  THR  24          1HG2      THR  24   1.092   3.895   3.201
  184   HG23  THR  24          2HG2      THR  24   2.039   2.428   2.954
  185    H    ARG  25           H        ARG  25   0.593   2.455  -0.066
  186    HA   ARG  25           HA       ARG  25   1.584  -0.204  -0.581
  187    HB2  ARG  25           2HB      ARG  25   0.764   1.010  -2.442
  188    HB3  ARG  25           1HB      ARG  25   1.778   2.401  -2.075
  189    HG2  ARG  25           2HG      ARG  25   3.771   0.933  -2.552
  190    HG3  ARG  25           1HG      ARG  25   2.633  -0.271  -3.161
  191    HD2  ARG  25           2HD      ARG  25   2.981   2.545  -4.191
  192    HD3  ARG  25           1HD      ARG  25   3.514   1.068  -4.993
  193    HE   ARG  25           HE       ARG  25   0.808   0.773  -4.578
  194   HH11  ARG  25          1HH1      ARG  25   2.864   3.030  -6.291
  195   HH12  ARG  25          2HH1      ARG  25   1.692   3.347  -7.531
  196   HH21  ARG  25          1HH2      ARG  25  -0.749   1.226  -6.192
  197   HH22  ARG  25          2HH2      ARG  25  -0.371   2.336  -7.468
  198    H    GLN  26           H        GLN  26   3.229  -0.859   0.648
  199    HA   GLN  26           HA       GLN  26   5.188   0.936   1.715
  200    HB2  GLN  26           2HB      GLN  26   4.295  -1.207   2.777
  201    HB3  GLN  26           1HB      GLN  26   5.346  -2.073   1.667
  202    HG2  GLN  26           2HG      GLN  26   7.287  -1.108   2.624
  203    HG3  GLN  26           1HG      GLN  26   6.325   0.011   3.589
  204   HE21  GLN  26          1HE2      GLN  26   5.479  -3.337   3.137
  205   HE22  GLN  26          2HE2      GLN  26   5.773  -3.834   4.767
  206    H    LEU  27           H        LEU  27   7.117   1.464   0.888
  207    HA   LEU  27           HA       LEU  27   7.657   0.454  -1.805
  208    HB2  LEU  27           2HB      LEU  27   8.610   2.971  -0.444
  209    HB3  LEU  27           1HB      LEU  27   8.944   2.523  -2.105
  210    HG   LEU  27           HG       LEU  27   6.201   3.094  -0.983
  211   HD11  LEU  27          1HD1      LEU  27   6.326   5.148  -2.281
  212   HD12  LEU  27          2HD1      LEU  27   7.965   4.744  -2.793
  213   HD13  LEU  27          3HD1      LEU  27   7.629   5.084  -1.095
  214   HD21  LEU  27          3HD2      LEU  27   6.148   1.484  -2.821
  215   HD22  LEU  27          1HD2      LEU  27   7.125   2.567  -3.812
  216   HD23  LEU  27          2HD2      LEU  27   5.494   3.039  -3.335
  217    H    ALA  28           H        ALA  28   9.759   0.012  -2.522
  218    HA   ALA  28           HA       ALA  28  11.627  -0.978  -0.568
  219    HB1  ALA  28           1HB      ALA  28  11.336  -2.083  -2.732
  220    HB2  ALA  28           2HB      ALA  28  12.998  -1.530  -2.520
  221    HB3  ALA  28           3HB      ALA  28  11.890  -0.623  -3.552
  222    H    ASN  29           H        ASN  29  11.141   1.846  -2.449
  223    HA   ASN  29           HA       ASN  29  13.606   2.993  -2.719
  224    HB2  ASN  29           2HB      ASN  29  11.009   4.428  -2.137
  225    HB3  ASN  29           1HB      ASN  29  12.455   5.175  -2.802
  226   HD21  ASN  29          1HD2      ASN  29   9.699   3.197  -3.450
  227   HD22  ASN  29          2HD2      ASN  29   9.900   3.114  -5.168
  228    H    GLU  30           H        GLU  30  11.675   2.875   0.213
  229    HA   GLU  30           HA       GLU  30  13.430   4.864   1.455
  230    HB2  GLU  30           2HB      GLU  30  10.792   3.755   2.429
  231    HB3  GLU  30           1HB      GLU  30  11.720   5.032   3.202
  232    HG2  GLU  30           2HG      GLU  30  11.497   6.326   1.048
  233    HG3  GLU  30           1HG      GLU  30  10.315   5.120   0.552
  234    H    GLY  31           H        GLY  31  14.132   1.965   1.001
  235    HA2  GLY  31           2HA      GLY  31  16.016   1.548   2.744
  236    HA3  GLY  31           1HA      GLY  31  14.656   1.240   3.805
  237    H    CYS  32           H        CYS  32  12.997  -0.170   2.053
  238    HA   CYS  32           HA       CYS  32  14.288  -2.716   2.334
  239    HB2  CYS  32           2HB      CYS  32  11.769  -1.986   2.722
  240    HB3  CYS  32           1HB      CYS  32  11.638  -2.568   1.063
  241    H    ASP  33           H        ASP  33  13.136  -4.241   0.337
  242    HA   ASP  33           HA       ASP  33  14.510  -3.205  -2.053
  243    HB2  ASP  33           2HB      ASP  33  14.527  -6.018  -0.951
  244    HB3  ASP  33           1HB      ASP  33  15.101  -5.599  -2.561
  245    H    ILE  34           H        ILE  34  11.790  -4.976  -0.779
  246    HA   ILE  34           HA       ILE  34  10.668  -5.083  -3.498
  247    HB   ILE  34           HB       ILE  34   9.456  -6.974  -3.002
  248   HG12  ILE  34          2HG1      ILE  34   9.690  -6.404  -0.037
  249   HG13  ILE  34          1HG1      ILE  34   8.295  -6.001  -1.028
  250   HG21  ILE  34          1HG2      ILE  34  11.805  -7.177  -1.130
  251   HG22  ILE  34          2HG2      ILE  34  11.805  -7.539  -2.858
  252   HG23  ILE  34          3HG2      ILE  34  10.869  -8.539  -1.746
  253   HD11  ILE  34          3HD1      ILE  34   9.332  -8.769  -0.470
  254   HD12  ILE  34          1HD1      ILE  34   7.948  -8.377  -1.495
  255   HD13  ILE  34          2HD1      ILE  34   7.897  -8.024   0.232
  256    H    ASN  35           H        ASN  35   8.196  -4.828  -3.475
  257    HA   ASN  35           HA       ASN  35   7.487  -2.706  -1.559
  258    HB2  ASN  35           2HB      ASN  35   6.411  -3.060  -4.373
  259    HB3  ASN  35           1HB      ASN  35   6.014  -1.752  -3.261
  260   HD21  ASN  35          1HD2      ASN  35   8.272  -3.007  -5.513
  261   HD22  ASN  35          2HD2      ASN  35   9.319  -1.643  -5.537
  262    H    ALA  36           H        ALA  36   5.863  -3.207  -0.220
  263    HA   ALA  36           HA       ALA  36   4.138  -5.468  -0.976
  264    HB1  ALA  36           1HB      ALA  36   3.888  -5.948   1.414
  265    HB2  ALA  36           2HB      ALA  36   4.988  -4.621   1.792
  266    HB3  ALA  36           3HB      ALA  36   5.574  -6.030   0.905
  267    H    ILE  37           H        ILE  37   2.102  -4.937  -1.345
  268    HA   ILE  37           HA       ILE  37   0.975  -2.401  -0.747
  269    HB   ILE  37           HB       ILE  37  -0.346  -4.996  -1.567
  270   HG12  ILE  37          2HG1      ILE  37   1.301  -4.201  -3.198
  271   HG13  ILE  37          1HG1      ILE  37  -0.333  -4.061  -3.833
  272   HG21  ILE  37          1HG2      ILE  37  -1.395  -2.195  -1.416
  273   HG22  ILE  37          2HG2      ILE  37  -2.017  -3.642  -0.626
  274   HG23  ILE  37          3HG2      ILE  37  -2.166  -3.460  -2.375
  275   HD11  ILE  37          3HD1      ILE  37  -0.309  -1.667  -3.323
  276   HD12  ILE  37          1HD1      ILE  37   0.992  -2.127  -4.419
  277   HD13  ILE  37          2HD1      ILE  37   1.340  -1.822  -2.717
  278    H    ILE  38           H        ILE  38   0.678  -1.863   1.384
  279    HA   ILE  38           HA       ILE  38  -0.148  -3.893   3.285
  280    HB   ILE  38           HB       ILE  38   0.199  -0.932   3.774
  281   HG12  ILE  38          2HG1      ILE  38   2.290  -1.871   2.897
  282   HG13  ILE  38          1HG1      ILE  38   2.450  -1.456   4.599
  283   HG21  ILE  38          1HG2      ILE  38   0.549  -1.659   6.117
  284   HG22  ILE  38          2HG2      ILE  38   0.127  -3.304   5.636
  285   HG23  ILE  38          3HG2      ILE  38  -1.065  -2.011   5.507
  286   HD11  ILE  38          3HD1      ILE  38   2.059  -4.213   3.458
  287   HD12  ILE  38          1HD1      ILE  38   2.156  -3.818   5.177
  288   HD13  ILE  38          2HD1      ILE  38   3.550  -3.545   4.131
  289    H    PHE  39           H        PHE  39  -2.247  -4.445   2.804
  290    HA   PHE  39           HA       PHE  39  -4.265  -2.362   2.642
  291    HB2  PHE  39           2HB      PHE  39  -4.408  -5.368   2.507
  292    HB3  PHE  39           1HB      PHE  39  -5.857  -4.387   2.657
  293    HD1  PHE  39           1HD      PHE  39  -4.986  -2.094   0.847
  294    HD2  PHE  39           2HD      PHE  39  -4.767  -6.323   0.415
  295    HE1  PHE  39           1HE      PHE  39  -5.044  -1.849  -1.613
  296    HE2  PHE  39           2HE      PHE  39  -4.819  -6.086  -2.021
  297    HZ   PHE  39           HZ       PHE  39  -4.948  -3.858  -3.029
  298    H    HIS  40           H        HIS  40  -5.252  -1.551   4.337
  299    HA   HIS  40           HA       HIS  40  -4.793  -2.770   6.961
  300    HB2  HIS  40           2HB      HIS  40  -6.034  -0.082   6.314
  301    HB3  HIS  40           1HB      HIS  40  -5.514  -0.640   7.900
  302    HD1  HIS  40           1HD      HIS  40  -3.359   0.424   8.573
  303    HD2  HIS  40           2HD      HIS  40  -3.623  -0.130   4.459
  304    HE1  HIS  40           1HE      HIS  40  -1.243   1.391   7.597
  305    HE2  HIS  40           2HE      HIS  40  -1.570   1.292   5.121
  306    H    THR  41           H        THR  41  -6.258  -4.236   7.478
  307    HA   THR  41           HA       THR  41  -8.814  -4.274   6.188
  308    HB   THR  41           HB       THR  41  -9.202  -6.328   7.555
  309    HG1  THR  41           1HG      THR  41  -6.472  -6.303   8.243
  310   HG21  THR  41          3HG2      THR  41  -8.233  -6.404   5.290
  311   HG22  THR  41          1HG2      THR  41  -7.601  -7.689   6.323
  312   HG23  THR  41          2HG2      THR  41  -6.620  -6.264   5.988
  313    H    LYS  42           H        LYS  42 -10.832  -4.544   7.299
  314    HA   LYS  42           HA       LYS  42 -11.379  -2.615   9.292
  315    HB2  LYS  42           2HB      LYS  42 -12.989  -3.582   7.597
  316    HB3  LYS  42           1HB      LYS  42 -13.036  -5.040   8.573
  317    HG2  LYS  42           2HG      LYS  42 -13.952  -3.777  10.436
  318    HG3  LYS  42           1HG      LYS  42 -13.878  -2.297   9.477
  319    HD2  LYS  42           2HD      LYS  42 -15.401  -3.331   7.827
  320    HD3  LYS  42           1HD      LYS  42 -15.522  -4.754   8.859
  321    HE2  LYS  42           2HE      LYS  42 -16.333  -1.955   9.621
  322    HE3  LYS  42           1HE      LYS  42 -17.431  -3.243   9.146
  323    HZ1  LYS  42           3HZ      LYS  42 -15.664  -3.280  11.525
  324    HZ2  LYS  42           1HZ      LYS  42 -16.717  -4.525  11.067
  325    HZ3  LYS  42           2HZ      LYS  42 -17.335  -3.017  11.541
  326    H    LYS  43           H        LYS  43  -9.870  -5.553   9.432
  327    HA   LYS  43           HA       LYS  43 -10.694  -6.241  12.115
  328    HB2  LYS  43           2HB      LYS  43 -10.389  -8.015  10.425
  329    HB3  LYS  43           1HB      LYS  43  -8.699  -7.556  10.260
  330    HG2  LYS  43           2HG      LYS  43  -8.987  -9.559  11.625
  331    HG3  LYS  43           1HG      LYS  43  -8.264  -8.235  12.537
  332    HD2  LYS  43           2HD      LYS  43 -10.478  -7.717  13.494
  333    HD3  LYS  43           1HD      LYS  43 -11.151  -9.101  12.628
  334    HE2  LYS  43           2HE      LYS  43 -10.666  -9.672  14.947
  335    HE3  LYS  43           1HE      LYS  43  -9.640 -10.590  13.847
  336    HZ1  LYS  43           3HZ      LYS  43  -7.889  -8.896  14.253
  337    HZ2  LYS  43           1HZ      LYS  43  -8.298  -9.809  15.620
  338    HZ3  LYS  43           2HZ      LYS  43  -8.869  -8.219  15.455
  339    H    LYS  44           H        LYS  44  -8.751  -4.010  10.857
  340    HA   LYS  44           HA       LYS  44  -7.143  -2.641  11.691
  341    HB2  LYS  44           2HB      LYS  44  -7.475  -4.284  14.207
  342    HB3  LYS  44           1HB      LYS  44  -6.493  -2.829  14.092
  343    HG2  LYS  44           2HG      LYS  44  -8.493  -1.536  13.522
  344    HG3  LYS  44           1HG      LYS  44  -9.469  -2.999  13.662
  345    HD2  LYS  44           2HD      LYS  44  -8.813  -3.199  16.020
  346    HD3  LYS  44           1HD      LYS  44  -7.850  -1.726  15.867
  347    HE2  LYS  44           2HE      LYS  44 -10.828  -1.913  15.441
  348    HE3  LYS  44           1HE      LYS  44 -10.046  -1.309  16.901
  349    HZ1  LYS  44           3HZ      LYS  44  -9.075   0.482  15.635
  350    HZ2  LYS  44           1HZ      LYS  44 -10.755   0.478  15.397
  351    HZ3  LYS  44           2HZ      LYS  44  -9.723  -0.122  14.191
  352    H    LEU  45           H        LEU  45  -6.654  -5.428  10.543
  353    HA   LEU  45           HA       LEU  45  -3.890  -5.756  11.476
  354    HB2  LEU  45           2HB      LEU  45  -5.682  -7.665   9.975
  355    HB3  LEU  45           1HB      LEU  45  -3.996  -7.976  10.345
  356    HG   LEU  45           HG       LEU  45  -6.209  -7.610  12.357
  357   HD11  LEU  45          1HD1      LEU  45  -6.331  -9.734  11.137
  358   HD12  LEU  45          2HD1      LEU  45  -5.896  -9.970  12.831
  359   HD13  LEU  45          3HD1      LEU  45  -4.656 -10.074  11.581
  360   HD21  LEU  45          3HD2      LEU  45  -3.300  -8.286  12.769
  361   HD22  LEU  45          1HD2      LEU  45  -4.540  -8.244  14.018
  362   HD23  LEU  45          2HD2      LEU  45  -4.076  -6.761  13.188
  363    H    SER  46           H        SER  46  -2.307  -5.105  10.231
  364    HA   SER  46           HA       SER  46  -2.790  -4.118   7.592
  365    HB2  SER  46           2HB      SER  46  -0.197  -3.878   7.704
  366    HB3  SER  46           1HB      SER  46  -1.195  -2.885   8.766
  367    HG   SER  46           HG       SER  46   0.417  -5.107   9.385
  368    H    VAL  47           H        VAL  47  -3.110  -5.497   5.963
  369    HA   VAL  47           HA       VAL  47  -1.777  -8.087   5.976
  370    HB   VAL  47           HB       VAL  47  -3.861  -6.959   4.104
  371   HG11  VAL  47          1HG1      VAL  47  -4.120  -9.262   3.310
  372   HG12  VAL  47          2HG1      VAL  47  -2.764  -9.758   4.324
  373   HG13  VAL  47          3HG1      VAL  47  -2.502  -8.638   2.987
  374   HG21  VAL  47          3HG2      VAL  47  -4.701  -7.288   6.358
  375   HG22  VAL  47          1HG2      VAL  47  -4.092  -8.943   6.360
  376   HG23  VAL  47          2HG2      VAL  47  -5.391  -8.482   5.258
  377    H    CYS  48           H        CYS  48  -0.094  -8.609   4.671
  378    HA   CYS  48           HA       CYS  48   1.004  -6.489   3.022
  379    HB2  CYS  48           2HB      CYS  48   2.147  -9.214   3.676
  380    HB3  CYS  48           1HB      CYS  48   2.993  -7.905   2.849
  381    H    ALA  49           H        ALA  49  -0.307  -6.418   1.299
  382    HA   ALA  49           HA       ALA  49  -1.187  -8.776  -0.076
  383    HB1  ALA  49           1HB      ALA  49  -2.246  -7.154  -1.590
  384    HB2  ALA  49           2HB      ALA  49  -1.418  -5.849  -0.738
  385    HB3  ALA  49           3HB      ALA  49  -2.610  -6.832   0.104
  386    H    ASN  50           H        ASN  50  -0.502  -9.550  -2.023
  387    HA   ASN  50           HA       ASN  50   2.183  -8.837  -2.823
  388    HB2  ASN  50           2HB      ASN  50   0.253 -10.886  -3.948
  389    HB3  ASN  50           1HB      ASN  50   1.908 -10.672  -4.495
  390   HD21  ASN  50          1HD2      ASN  50   0.946 -10.464  -1.119
  391   HD22  ASN  50          2HD2      ASN  50   1.693 -11.950  -0.645
  392    HA   PRO  51           HA       PRO  51   0.692  -6.159  -6.088
  393    HB2  PRO  51           2HB      PRO  51   3.460  -6.168  -7.040
  394    HB3  PRO  51           1HB      PRO  51   2.486  -4.821  -6.448
  395    HG2  PRO  51           2HG      PRO  51   4.550  -5.828  -5.037
  396    HG3  PRO  51           1HG      PRO  51   3.108  -5.149  -4.262
  397    HD2  PRO  51           2HD      PRO  51   3.840  -8.021  -4.712
  398    HD3  PRO  51           1HD      PRO  51   3.105  -7.256  -3.280
  399    H    LYS  52           H        LYS  52   1.620  -9.268  -6.214
  400    HA   LYS  52           HA       LYS  52   2.034  -9.543  -9.078
  401    HB2  LYS  52           2HB      LYS  52   1.997 -11.520  -6.795
  402    HB3  LYS  52           1HB      LYS  52   2.268 -11.978  -8.475
  403    HG2  LYS  52           2HG      LYS  52   4.227 -10.405  -8.478
  404    HG3  LYS  52           1HG      LYS  52   4.006 -10.250  -6.736
  405    HD2  LYS  52           2HD      LYS  52   4.451 -12.858  -8.183
  406    HD3  LYS  52           1HD      LYS  52   5.720 -11.925  -7.387
  407    HE2  LYS  52           2HE      LYS  52   4.535 -12.158  -5.248
  408    HE3  LYS  52           1HE      LYS  52   3.279 -13.099  -6.050
  409    HZ1  LYS  52           3HZ      LYS  52   4.802 -14.835  -6.496
  410    HZ2  LYS  52           1HZ      LYS  52   5.026 -14.423  -4.866
  411    HZ3  LYS  52           2HZ      LYS  52   6.137 -13.892  -6.033
  412    H    GLN  53           H        GLN  53  -0.547  -9.654  -6.876
  413    HA   GLN  53           HA       GLN  53  -2.024 -11.622  -8.462
  414    HB2  GLN  53           2HB      GLN  53  -3.504 -11.537  -6.289
  415    HB3  GLN  53           1HB      GLN  53  -2.009 -12.462  -6.327
  416    HG2  GLN  53           2HG      GLN  53  -0.865 -10.435  -5.363
  417    HG3  GLN  53           1HG      GLN  53  -2.471  -9.759  -5.113
  418   HE21  GLN  53          1HE2      GLN  53  -2.182  -9.675  -2.927
  419   HE22  GLN  53          2HE2      GLN  53  -2.185 -11.098  -1.939
  420    H    THR  54           H        THR  54  -4.110 -11.247  -9.151
  421    HA   THR  54           HA       THR  54  -4.469  -8.546  -9.992
  422    HB   THR  54           HB       THR  54  -6.656  -9.635 -10.970
  423    HG1  THR  54           1HG      THR  54  -6.680 -11.787 -10.967
  424   HG21  THR  54          3HG2      THR  54  -4.797  -8.826 -12.313
  425   HG22  THR  54          1HG2      THR  54  -5.338 -10.393 -12.912
  426   HG23  THR  54          2HG2      THR  54  -3.869 -10.282 -11.940
  427    H    TRP  55           H        TRP  55  -6.027 -10.563  -7.554
  428    HA   TRP  55           HA       TRP  55  -8.255  -8.905  -7.158
  429    HB2  TRP  55           2HB      TRP  55  -8.611  -9.980  -5.092
  430    HB3  TRP  55           1HB      TRP  55  -7.994 -11.193  -6.197
  431    HD1  TRP  55           HD       TRP  55  -5.629 -12.195  -5.623
  432    HE1  TRP  55           1HE      TRP  55  -4.211 -12.190  -3.542
  433    HE3  TRP  55           3HE      TRP  55  -7.964  -8.539  -3.258
  434    HZ2  TRP  55           2HZ      TRP  55  -4.105 -10.734  -1.091
  435    HZ3  TRP  55           3HZ      TRP  55  -7.209  -7.871  -1.120
  436    HH2  TRP  55           HH       TRP  55  -5.342  -8.911   0.003
  437    H    VAL  56           H        VAL  56  -4.989  -8.754  -6.054
  438    HA   VAL  56           HA       VAL  56  -5.327  -6.494  -4.366
  439    HB   VAL  56           HB       VAL  56  -2.968  -7.857  -5.616
  440   HG11  VAL  56          1HG1      VAL  56  -2.428  -5.509  -5.824
  441   HG12  VAL  56          2HG1      VAL  56  -1.490  -6.231  -4.515
  442   HG13  VAL  56          3HG1      VAL  56  -2.895  -5.230  -4.147
  443   HG21  VAL  56          3HG2      VAL  56  -3.805  -7.216  -2.802
  444   HG22  VAL  56          1HG2      VAL  56  -2.321  -8.061  -3.247
  445   HG23  VAL  56          2HG2      VAL  56  -3.891  -8.788  -3.598
  446    H    LYS  57           H        LYS  57  -4.221  -6.931  -7.704
  447    HA   LYS  57           HA       LYS  57  -3.677  -4.270  -8.311
  448    HB2  LYS  57           2HB      LYS  57  -4.677  -6.458 -10.147
  449    HB3  LYS  57           1HB      LYS  57  -4.005  -4.921 -10.687
  450    HG2  LYS  57           2HG      LYS  57  -1.883  -5.473  -9.599
  451    HG3  LYS  57           1HG      LYS  57  -2.559  -7.016  -9.077
  452    HD2  LYS  57           2HD      LYS  57  -2.805  -7.731 -11.370
  453    HD3  LYS  57           1HD      LYS  57  -2.278  -6.151 -11.954
  454    HE2  LYS  57           2HE      LYS  57  -0.079  -6.501 -10.970
  455    HE3  LYS  57           1HE      LYS  57  -0.602  -8.056 -10.322
  456    HZ1  LYS  57           3HZ      LYS  57   0.718  -8.142 -12.439
  457    HZ2  LYS  57           1HZ      LYS  57  -0.604  -7.440 -13.222
  458    HZ3  LYS  57           2HZ      LYS  57  -0.762  -8.963 -12.485
  459    H    TYR  58           H        TYR  58  -6.714  -6.037  -8.403
  460    HA   TYR  58           HA       TYR  58  -8.273  -3.994  -9.545
  461    HB2  TYR  58           2HB      TYR  58  -9.303  -6.075  -9.571
  462    HB3  TYR  58           1HB      TYR  58  -8.850  -6.435  -7.910
  463    HD1  TYR  58           1HD      TYR  58 -10.871  -3.803  -9.663
  464    HD2  TYR  58           2HD      TYR  58 -10.604  -6.571  -6.442
  465    HE1  TYR  58           1HE      TYR  58 -13.094  -3.108  -8.888
  466    HE2  TYR  58           2HE      TYR  58 -12.829  -5.893  -5.670
  467    HH   TYR  58           HH       TYR  58 -14.296  -3.842  -5.857
  468    H    ILE  59           H        ILE  59  -7.634  -4.867  -6.154
  469    HA   ILE  59           HA       ILE  59  -9.358  -2.900  -5.082
  470    HB   ILE  59           HB       ILE  59  -7.055  -4.300  -3.724
  471   HG12  ILE  59          2HG1      ILE  59 -10.007  -4.962  -3.829
  472   HG13  ILE  59          1HG1      ILE  59  -8.726  -5.845  -4.647
  473   HG21  ILE  59          1HG2      ILE  59  -9.428  -2.820  -2.586
  474   HG22  ILE  59          2HG2      ILE  59  -7.744  -2.298  -2.519
  475   HG23  ILE  59          3HG2      ILE  59  -8.255  -3.745  -1.647
  476   HD11  ILE  59          3HD1      ILE  59  -7.799  -6.533  -2.548
  477   HD12  ILE  59          1HD1      ILE  59  -9.509  -6.957  -2.619
  478   HD13  ILE  59          2HD1      ILE  59  -8.984  -5.565  -1.675
  479    H    VAL  60           H        VAL  60  -5.811  -2.994  -5.505
  480    HA   VAL  60           HA       VAL  60  -5.318  -0.491  -4.304
  481    HB   VAL  60           HB       VAL  60  -3.531  -2.135  -4.674
  482   HG11  VAL  60          1HG1      VAL  60  -2.510  -2.379  -6.903
  483   HG12  VAL  60          2HG1      VAL  60  -3.821  -1.419  -7.588
  484   HG13  VAL  60          3HG1      VAL  60  -4.168  -2.983  -6.854
  485   HG21  VAL  60          3HG2      VAL  60  -2.919   0.198  -4.337
  486   HG22  VAL  60          1HG2      VAL  60  -3.009   0.484  -6.075
  487   HG23  VAL  60          2HG2      VAL  60  -1.784  -0.603  -5.422
  488    H    ARG  61           H        ARG  61  -6.318  -1.383  -7.535
  489    HA   ARG  61           HA       ARG  61  -5.806   1.086  -8.796
  490    HB2  ARG  61           2HB      ARG  61  -6.346  -1.026  -9.989
  491    HB3  ARG  61           1HB      ARG  61  -8.000  -0.905  -9.405
  492    HG2  ARG  61           2HG      ARG  61  -8.340   1.119 -10.670
  493    HG3  ARG  61           1HG      ARG  61  -6.646   1.120 -11.176
  494    HD2  ARG  61           2HD      ARG  61  -8.703  -0.989 -11.826
  495    HD3  ARG  61           1HD      ARG  61  -8.094   0.239 -12.936
  496    HE   ARG  61           HE       ARG  61  -5.826  -0.915 -12.381
  497   HH11  ARG  61          1HH1      ARG  61  -8.924  -2.527 -12.759
  498   HH12  ARG  61          2HH1      ARG  61  -8.219  -3.989 -13.393
  499   HH21  ARG  61          1HH2      ARG  61  -4.913  -2.818 -13.191
  500   HH22  ARG  61          2HH2      ARG  61  -5.929  -4.157 -13.628
  501    H    LEU  62           H        LEU  62  -8.667  -0.181  -7.115
  502    HA   LEU  62           HA       LEU  62 -10.200   2.191  -7.459
  503    HB2  LEU  62           2HB      LEU  62 -10.488  -0.098  -5.523
  504    HB3  LEU  62           1HB      LEU  62 -11.628   1.232  -5.629
  505    HG   LEU  62           HG       LEU  62 -11.026  -0.844  -7.726
  506   HD11  LEU  62          1HD1      LEU  62 -13.399  -1.359  -7.495
  507   HD12  LEU  62          2HD1      LEU  62 -13.553  -0.119  -6.251
  508   HD13  LEU  62          3HD1      LEU  62 -12.550  -1.540  -5.959
  509   HD21  LEU  62          3HD2      LEU  62 -12.634   0.296  -9.167
  510   HD22  LEU  62          1HD2      LEU  62 -11.253   1.338  -8.811
  511   HD23  LEU  62          2HD2      LEU  62 -12.788   1.594  -7.978
  512    H    LEU  63           H        LEU  63  -7.917   1.087  -5.061
  513    HA   LEU  63           HA       LEU  63  -8.458   3.055  -3.109
  514    HB2  LEU  63           2HB      LEU  63  -6.382   1.064  -3.609
  515    HB3  LEU  63           1HB      LEU  63  -5.815   2.493  -2.763
  516    HG   LEU  63           HG       LEU  63  -6.407   0.851  -1.143
  517   HD11  LEU  63          1HD1      LEU  63  -8.557   2.955  -1.294
  518   HD12  LEU  63          2HD1      LEU  63  -6.962   3.134  -0.558
  519   HD13  LEU  63          3HD1      LEU  63  -8.130   2.009   0.135
  520   HD21  LEU  63          3HD2      LEU  63  -8.645  -0.104  -0.985
  521   HD22  LEU  63          1HD2      LEU  63  -7.845  -0.537  -2.494
  522   HD23  LEU  63          2HD2      LEU  63  -9.094   0.708  -2.484
  523    H    SER  64           H        SER  64  -6.374   2.992  -5.929
  524    HA   SER  64           HA       SER  64  -5.009   5.419  -5.272
  525    HB2  SER  64           2HB      SER  64  -5.242   4.025  -7.948
  526    HB3  SER  64           1HB      SER  64  -4.047   5.245  -7.504
  527    HG   SER  64           HG       SER  64  -4.353   2.703  -6.258
  528    H    LYS  65           H        LYS  65  -7.708   4.537  -7.391
  529    HA   LYS  65           HA       LYS  65  -8.140   7.403  -7.872
  530    HB2  LYS  65           2HB      LYS  65  -7.768   5.924  -9.880
  531    HB3  LYS  65           1HB      LYS  65  -9.288   5.129  -9.487
  532    HG2  LYS  65           2HG      LYS  65  -9.655   6.777 -11.202
  533    HG3  LYS  65           1HG      LYS  65 -10.443   7.297  -9.712
  534    HD2  LYS  65           2HD      LYS  65  -8.514   8.749  -9.227
  535    HD3  LYS  65           1HD      LYS  65  -7.781   8.258 -10.754
  536    HE2  LYS  65           2HE      LYS  65  -9.736   9.167 -11.946
  537    HE3  LYS  65           1HE      LYS  65 -10.397   9.713 -10.406
  538    HZ1  LYS  65           3HZ      LYS  65  -7.800  10.590 -11.550
  539    HZ2  LYS  65           1HZ      LYS  65  -8.507  11.158 -10.117
  540    HZ3  LYS  65           2HZ      LYS  65  -9.243  11.478 -11.607
  541    H    LYS  66           H        LYS  66  -9.206   7.717  -5.910
  542    HA   LYS  66           HA       LYS  66 -11.739   6.338  -5.536
  543    HB2  LYS  66           2HB      LYS  66 -11.842   7.674  -3.405
  544    HB3  LYS  66           1HB      LYS  66 -10.479   6.572  -3.523
  545    HG2  LYS  66           2HG      LYS  66  -9.007   8.416  -4.084
  546    HG3  LYS  66           1HG      LYS  66 -10.368   9.536  -4.043
  547    HD2  LYS  66           2HD      LYS  66  -9.373   7.908  -1.708
  548    HD3  LYS  66           1HD      LYS  66  -9.038   9.618  -1.978
  549    HE2  LYS  66           2HE      LYS  66 -11.456  10.079  -1.885
  550    HE3  LYS  66           1HE      LYS  66 -11.756   8.375  -1.544
  551    HZ1  LYS  66           3HZ      LYS  66 -10.409   8.623   0.484
  552    HZ2  LYS  66           1HZ      LYS  66 -11.767   9.643   0.489
  553    HZ3  LYS  66           2HZ      LYS  66 -10.230  10.276   0.154
  554    H    VAL  67           H        VAL  67 -13.431   7.067  -6.568
  555    HA   VAL  67           HA       VAL  67 -13.566   9.900  -7.301
  556    HB   VAL  67           HB       VAL  67 -15.416   9.241  -8.811
  557   HG11  VAL  67          1HG1      VAL  67 -13.157   9.331  -9.677
  558   HG12  VAL  67          2HG1      VAL  67 -14.035   7.999 -10.428
  559   HG13  VAL  67          3HG1      VAL  67 -12.860   7.676  -9.153
  560   HG21  VAL  67          3HG2      VAL  67 -16.257   7.320  -7.584
  561   HG22  VAL  67          1HG2      VAL  67 -14.762   6.440  -7.894
  562   HG23  VAL  67          2HG2      VAL  67 -15.836   6.853  -9.230
  563    H    LYS  68           H        LYS  68 -15.661  10.997  -7.135
  564    HA   LYS  68           HA       LYS  68 -16.995  10.260  -4.630
  565    HB2  LYS  68           2HB      LYS  68 -16.702  12.897  -6.059
  566    HB3  LYS  68           1HB      LYS  68 -17.829  12.662  -4.732
  567    HG2  LYS  68           2HG      LYS  68 -16.006  12.127  -3.234
  568    HG3  LYS  68           1HG      LYS  68 -14.851  12.251  -4.564
  569    HD2  LYS  68           2HD      LYS  68 -14.901  14.276  -3.139
  570    HD3  LYS  68           1HD      LYS  68 -15.328  14.607  -4.817
  571    HE2  LYS  68           2HE      LYS  68 -16.793  15.807  -3.294
  572    HE3  LYS  68           1HE      LYS  68 -17.697  14.609  -4.218
  573    HZ1  LYS  68           3HZ      LYS  68 -16.709  13.567  -1.739
  574    HZ2  LYS  68           1HZ      LYS  68 -18.287  13.551  -2.369
  575    HZ3  LYS  68           2HZ      LYS  68 -17.725  14.901  -1.510
  576    H    ASN  69           H        ASN  69 -18.798   9.130  -4.971
  577    HA   ASN  69           HA       ASN  69 -20.539   9.566  -7.199
  578    HB2  ASN  69           2HB      ASN  69 -21.035   8.170  -4.552
  579    HB3  ASN  69           1HB      ASN  69 -22.154   8.163  -5.908
  580   HD21  ASN  69          1HD2      ASN  69 -20.849   5.929  -4.580
  581   HD22  ASN  69          2HD2      ASN  69 -19.958   5.094  -5.803
  582    H    MET  70           H        MET  70 -20.350  10.615  -3.880
  583    HA   MET  70           HA       MET  70 -22.496  12.563  -4.358
  584    HB2  MET  70           2HB      MET  70 -23.174  11.036  -2.631
  585    HB3  MET  70           1HB      MET  70 -21.625  11.199  -1.808
  586    HG2  MET  70           2HG      MET  70 -22.139  13.526  -1.290
  587    HG3  MET  70           1HG      MET  70 -23.683  13.375  -2.128
  588    HE1  MET  70           3HE      MET  70 -23.132  14.336   0.962
  589    HE2  MET  70           1HE      MET  70 -24.525  13.600   1.753
  590    HE3  MET  70           2HE      MET  70 -24.716  14.395   0.191
  Start of MODEL    3
    1    H1   ALA   1           1HT      ALA   1  17.098   5.739   4.077
    2    H2   ALA   1           2HT      ALA   1  17.060   6.247   5.695
    3    H3   ALA   1           3HT      ALA   1  17.752   7.237   4.508
    4    HA   ALA   1           HA       ALA   1  15.548   8.009   5.183
    5    HB1  ALA   1           1HB      ALA   1  15.743   7.021   2.337
    6    HB2  ALA   1           2HB      ALA   1  16.424   8.523   2.961
    7    HB3  ALA   1           3HB      ALA   1  14.675   8.299   2.920
    8    H    SER   2           H        SER   2  15.687   5.041   5.814
    9    HA   SER   2           HA       SER   2  13.368   3.890   4.580
   10    HB2  SER   2           2HB      SER   2  14.994   2.897   6.932
   11    HB3  SER   2           1HB      SER   2  13.830   1.954   5.998
   12    HG   SER   2           HG       SER   2  15.409   1.545   4.673
   13    H    ASN   3           H        ASN   3  11.669   5.220   5.071
   14    HA   ASN   3           HA       ASN   3  10.954   6.012   7.695
   15    HB2  ASN   3           2HB      ASN   3  10.180   7.183   5.662
   16    HB3  ASN   3           1HB      ASN   3   9.224   5.770   5.218
   17   HD21  ASN   3          1HD2      ASN   3   7.318   6.998   5.239
   18   HD22  ASN   3          2HD2      ASN   3   6.574   7.500   6.718
   19    H    PHE   4           H        PHE   4   9.988   3.316   5.639
   20    HA   PHE   4           HA       PHE   4   8.595   2.119   7.942
   21    HB2  PHE   4           2HB      PHE   4   7.129   0.982   6.308
   22    HB3  PHE   4           1HB      PHE   4   7.002   2.731   6.192
   23    HD1  PHE   4           2HD      PHE   4   8.554  -0.240   4.629
   24    HD2  PHE   4           1HD      PHE   4   7.462   3.847   4.178
   25    HE1  PHE   4           2HE      PHE   4   9.097  -0.367   2.239
   26    HE2  PHE   4           1HE      PHE   4   8.004   3.722   1.783
   27    HZ   PHE   4           HZ       PHE   4   8.819   1.612   0.821
   28    H    ASP   5           H        ASP   5   8.247  -0.357   7.326
   29    HA   ASP   5           HA       ASP   5  10.643  -1.472   6.086
   30    HB2  ASP   5           2HB      ASP   5  11.275  -1.458   8.349
   31    HB3  ASP   5           1HB      ASP   5   9.694  -2.002   8.891
   32    H    CYS   6           H        CYS   6   9.731  -2.394   4.427
   33    HA   CYS   6           HA       CYS   6   7.259  -3.374   3.992
   34    HB2  CYS   6           2HB      CYS   6   8.229  -4.510   2.089
   35    HB3  CYS   6           1HB      CYS   6   9.008  -2.959   2.299
   36    H    CYS   7           H        CYS   7   6.244  -5.349   4.072
   37    HA   CYS   7           HA       CYS   7   6.849  -7.198   6.079
   38    HB2  CYS   7           2HB      CYS   7   5.274  -7.718   3.553
   39    HB3  CYS   7           1HB      CYS   7   5.176  -8.634   5.050
   40    H    LEU   8           H        LEU   8   8.240  -8.884   6.150
   41    HA   LEU   8           HA       LEU   8   9.808  -9.477   3.784
   42    HB2  LEU   8           2HB      LEU   8   9.936 -10.626   6.571
   43    HB3  LEU   8           1HB      LEU   8  11.060 -11.004   5.276
   44    HG   LEU   8           HG       LEU   8  10.677  -8.309   6.591
   45   HD11  LEU   8          1HD1      LEU   8  12.996 -10.234   6.607
   46   HD12  LEU   8          2HD1      LEU   8  11.901  -9.909   7.951
   47   HD13  LEU   8          3HD1      LEU   8  12.969  -8.638   7.358
   48   HD21  LEU   8          3HD2      LEU   8  12.571  -7.584   5.182
   49   HD22  LEU   8          1HD2      LEU   8  11.139  -7.992   4.236
   50   HD23  LEU   8          2HD2      LEU   8  12.493  -9.119   4.318
   51    H    GLY   9           H        GLY   9   6.877 -10.385   4.859
   52    HA2  GLY   9           2HA      GLY   9   6.939 -12.733   3.115
   53    HA3  GLY   9           1HA      GLY   9   6.250 -12.909   4.726
   54    H    TYR  10           H        TYR  10   5.183 -12.873   1.823
   55    HA   TYR  10           HA       TYR  10   3.185 -10.744   2.092
   56    HB2  TYR  10           2HB      TYR  10   3.707 -12.619  -0.218
   57    HB3  TYR  10           1HB      TYR  10   2.557 -11.303  -0.216
   58    HD1  TYR  10           1HD      TYR  10   6.193 -11.976   0.160
   59    HD2  TYR  10           2HD      TYR  10   3.184  -9.212  -1.062
   60    HE1  TYR  10           1HE      TYR  10   7.924 -10.523  -0.800
   61    HE2  TYR  10           2HE      TYR  10   4.915  -7.754  -2.002
   62    HH   TYR  10           HH       TYR  10   7.197  -7.320  -1.937
   63    H    THR  11           H        THR  11   0.940 -11.492   1.178
   64    HA   THR  11           HA       THR  11   0.210 -13.979   2.575
   65    HB   THR  11           HB       THR  11  -0.704 -11.708   3.368
   66    HG1  THR  11           1HG      THR  11  -1.788 -13.332   4.255
   67   HG21  THR  11          3HG2      THR  11  -2.703 -10.898   2.233
   68   HG22  THR  11          1HG2      THR  11  -2.497 -12.113   0.971
   69   HG23  THR  11          2HG2      THR  11  -1.306 -10.826   1.159
   70    H    ASP  12           H        ASP  12  -0.981 -15.526   1.521
   71    HA   ASP  12           HA       ASP  12  -1.391 -15.076  -1.356
   72    HB2  ASP  12           2HB      ASP  12   0.240 -16.870  -0.793
   73    HB3  ASP  12           1HB      ASP  12  -1.027 -17.718   0.085
   74    H    ARG  13           H        ARG  13  -3.354 -13.992  -0.529
   75    HA   ARG  13           HA       ARG  13  -5.552 -15.924  -0.157
   76    HB2  ARG  13           2HB      ARG  13  -5.300 -13.179   1.092
   77    HB3  ARG  13           1HB      ARG  13  -6.695 -14.236   1.220
   78    HG2  ARG  13           2HG      ARG  13  -3.970 -15.028   2.233
   79    HG3  ARG  13           1HG      ARG  13  -5.159 -14.180   3.220
   80    HD2  ARG  13           2HD      ARG  13  -5.376 -16.492   3.707
   81    HD3  ARG  13           1HD      ARG  13  -6.766 -16.042   2.724
   82    HE   ARG  13           HE       ARG  13  -4.609 -17.082   1.150
   83   HH11  ARG  13          1HH1      ARG  13  -7.288 -18.016   3.204
   84   HH12  ARG  13          2HH1      ARG  13  -7.486 -19.570   2.458
   85   HH21  ARG  13          1HH2      ARG  13  -4.841 -19.136   0.186
   86   HH22  ARG  13          2HH2      ARG  13  -6.086 -20.218   0.745
   87    H    ILE  14           H        ILE  14  -7.703 -14.585  -0.396
   88    HA   ILE  14           HA       ILE  14  -7.471 -12.514  -2.477
   89    HB   ILE  14           HB       ILE  14  -9.671 -14.561  -2.111
   90   HG12  ILE  14          2HG1      ILE  14  -7.479 -15.001  -3.503
   91   HG13  ILE  14          1HG1      ILE  14  -9.047 -15.516  -4.118
   92   HG21  ILE  14          1HG2      ILE  14 -10.690 -12.402  -2.540
   93   HG22  ILE  14          2HG2      ILE  14 -10.860 -13.448  -3.951
   94   HG23  ILE  14          3HG2      ILE  14  -9.647 -12.167  -3.942
   95   HD11  ILE  14          3HD1      ILE  14  -9.153 -13.417  -5.427
   96   HD12  ILE  14          1HD1      ILE  14  -7.825 -14.489  -5.887
   97   HD13  ILE  14          2HD1      ILE  14  -7.505 -13.063  -4.901
   98    H    LEU  15           H        LEU  15  -7.365 -10.879  -0.870
   99    HA   LEU  15           HA       LEU  15  -9.571 -10.679   1.025
  100    HB2  LEU  15           2HB      LEU  15  -7.109  -8.989   0.575
  101    HB3  LEU  15           1HB      LEU  15  -8.373  -8.534   1.705
  102    HG   LEU  15           HG       LEU  15  -6.756  -9.506   3.061
  103   HD11  LEU  15          1HD1      LEU  15  -8.933 -10.486   3.521
  104   HD12  LEU  15          2HD1      LEU  15  -7.638 -11.642   3.832
  105   HD13  LEU  15          3HD1      LEU  15  -8.606 -11.778   2.364
  106   HD21  LEU  15          3HD2      LEU  15  -6.415 -11.651   0.973
  107   HD22  LEU  15          1HD2      LEU  15  -5.577 -11.590   2.526
  108   HD23  LEU  15          2HD2      LEU  15  -5.300 -10.330   1.324
  109    H    HIS  16           H        HIS  16 -10.684  -8.469   1.154
  110    HA   HIS  16           HA       HIS  16 -11.190  -7.561  -1.603
  111    HB2  HIS  16           2HB      HIS  16 -13.280  -8.311   0.438
  112    HB3  HIS  16           1HB      HIS  16 -13.605  -7.563  -1.118
  113    HD1  HIS  16           1HD      HIS  16 -14.979 -10.075  -0.612
  114    HD2  HIS  16           2HD      HIS  16 -11.137 -10.016  -2.184
  115    HE1  HIS  16           1HE      HIS  16 -14.735 -12.208  -1.806
  116    HE2  HIS  16           2HE      HIS  16 -12.501 -12.096  -2.959
  117    HA   PRO  17           HA       PRO  17 -11.823  -3.412   0.076
  118    HB2  PRO  17           2HB      PRO  17 -14.284  -2.863  -1.107
  119    HB3  PRO  17           1HB      PRO  17 -12.712  -2.553  -1.851
  120    HG2  PRO  17           2HG      PRO  17 -14.593  -4.833  -2.263
  121    HG3  PRO  17           1HG      PRO  17 -13.561  -3.996  -3.438
  122    HD2  PRO  17           2HD      PRO  17 -12.912  -6.419  -2.454
  123    HD3  PRO  17           1HD      PRO  17 -11.671  -5.193  -2.820
  124    H    LYS  18           H        LYS  18 -14.246  -5.897  -0.008
  125    HA   LYS  18           HA       LYS  18 -16.099  -5.337   1.891
  126    HB2  LYS  18           2HB      LYS  18 -14.557  -7.901   1.448
  127    HB3  LYS  18           1HB      LYS  18 -15.980  -7.823   2.456
  128    HG2  LYS  18           2HG      LYS  18 -17.218  -7.007   0.410
  129    HG3  LYS  18           1HG      LYS  18 -15.783  -7.447  -0.507
  130    HD2  LYS  18           2HD      LYS  18 -15.968  -9.742   0.270
  131    HD3  LYS  18           1HD      LYS  18 -17.350  -9.311   1.274
  132    HE2  LYS  18           2HE      LYS  18 -17.229  -9.186  -1.736
  133    HE3  LYS  18           1HE      LYS  18 -18.047 -10.421  -0.783
  134    HZ1  LYS  18           3HZ      LYS  18 -18.765  -7.567  -1.087
  135    HZ2  LYS  18           1HZ      LYS  18 -19.361  -8.503   0.200
  136    HZ3  LYS  18           2HZ      LYS  18 -19.716  -8.934  -1.401
  137    H    PHE  19           H        PHE  19 -12.700  -6.064   2.414
  138    HA   PHE  19           HA       PHE  19 -13.130  -6.001   5.329
  139    HB2  PHE  19           2HB      PHE  19 -10.955  -7.430   3.794
  140    HB3  PHE  19           1HB      PHE  19 -11.204  -7.482   5.537
  141    HD1  PHE  19           2HD      PHE  19 -13.160  -8.641   6.471
  142    HD2  PHE  19           1HD      PHE  19 -12.235  -8.798   2.320
  143    HE1  PHE  19           2HE      PHE  19 -14.645 -10.584   6.216
  144    HE2  PHE  19           1HE      PHE  19 -13.724 -10.740   2.055
  145    HZ   PHE  19           HZ       PHE  19 -14.933 -11.639   4.012
  146    H    ILE  20           H        ILE  20 -11.716  -4.347   2.751
  147    HA   ILE  20           HA       ILE  20  -9.350  -3.525   4.255
  148    HB   ILE  20           HB       ILE  20 -10.178  -3.203   1.381
  149   HG12  ILE  20          2HG1      ILE  20  -7.553  -4.265   2.351
  150   HG13  ILE  20          1HG1      ILE  20  -8.990  -5.277   2.498
  151   HG21  ILE  20          1HG2      ILE  20  -9.186  -1.077   2.050
  152   HG22  ILE  20          2HG2      ILE  20  -8.115  -1.961   0.964
  153   HG23  ILE  20          3HG2      ILE  20  -7.780  -1.927   2.694
  154   HD11  ILE  20          3HD1      ILE  20  -7.933  -4.072  -0.043
  155   HD12  ILE  20          1HD1      ILE  20  -9.343  -5.120   0.102
  156   HD13  ILE  20          2HD1      ILE  20  -7.735  -5.747   0.470
  157    H    VAL  21           H        VAL  21  -9.217  -1.666   5.315
  158    HA   VAL  21           HA       VAL  21 -11.121   0.479   4.627
  159    HB   VAL  21           HB       VAL  21 -11.009   1.188   7.031
  160   HG11  VAL  21          1HG1      VAL  21 -12.602  -0.466   7.811
  161   HG12  VAL  21          2HG1      VAL  21 -12.083  -1.589   6.555
  162   HG13  VAL  21          3HG1      VAL  21 -12.899  -0.087   6.116
  163   HG21  VAL  21          3HG2      VAL  21  -8.940   0.036   7.649
  164   HG22  VAL  21          1HG2      VAL  21  -9.734  -1.524   7.410
  165   HG23  VAL  21          2HG2      VAL  21 -10.274  -0.446   8.697
  166    H    GLY  22           H        GLY  22  -7.939  -0.437   4.744
  167    HA2  GLY  22           2HA      GLY  22  -7.050   2.290   4.270
  168    HA3  GLY  22           1HA      GLY  22  -6.298   1.458   5.627
  169    H    PHE  23           H        PHE  23  -4.769   2.319   3.456
  170    HA   PHE  23           HA       PHE  23  -3.719  -0.189   2.437
  171    HB2  PHE  23           2HB      PHE  23  -5.205  -0.038   0.750
  172    HB3  PHE  23           1HB      PHE  23  -5.347   1.710   0.861
  173    HD1  PHE  23           1HD      PHE  23  -3.285  -1.052  -0.360
  174    HD2  PHE  23           2HD      PHE  23  -4.040   3.112  -0.390
  175    HE1  PHE  23           1HE      PHE  23  -1.778  -0.812  -2.279
  176    HE2  PHE  23           2HE      PHE  23  -2.549   3.373  -2.337
  177    HZ   PHE  23           HZ       PHE  23  -1.415   1.391  -3.246
  178    H    THR  24           H        THR  24  -1.619  -0.078   2.165
  179    HA   THR  24           HA       THR  24  -0.310   2.509   1.770
  180    HB   THR  24           HB       THR  24   0.534   0.521   3.891
  181    HG1  THR  24           1HG      THR  24  -0.335   3.206   4.265
  182   HG21  THR  24          3HG2      THR  24   2.212   2.208   4.489
  183   HG22  THR  24          1HG2      THR  24   1.695   3.205   3.131
  184   HG23  THR  24          2HG2      THR  24   2.443   1.635   2.837
  185    H    ARG  25           H        ARG  25   0.656   2.164  -0.170
  186    HA   ARG  25           HA       ARG  25   1.745  -0.459  -0.790
  187    HB2  ARG  25           2HB      ARG  25   2.227   0.470  -3.021
  188    HB3  ARG  25           1HB      ARG  25   0.544   0.709  -2.576
  189    HG2  ARG  25           2HG      ARG  25   0.910   3.023  -2.148
  190    HG3  ARG  25           1HG      ARG  25   2.660   2.834  -2.292
  191    HD2  ARG  25           2HD      ARG  25   1.939   3.788  -4.330
  192    HD3  ARG  25           1HD      ARG  25   2.242   2.085  -4.673
  193    HE   ARG  25           HE       ARG  25  -0.479   2.547  -3.984
  194   HH11  ARG  25          1HH1      ARG  25   1.831   2.701  -6.610
  195   HH12  ARG  25          2HH1      ARG  25   0.606   2.714  -7.846
  196   HH21  ARG  25          1HH2      ARG  25  -2.090   2.535  -5.626
  197   HH22  ARG  25          2HH2      ARG  25  -1.602   2.630  -7.293
  198    H    GLN  26           H        GLN  26   3.615  -0.862   0.287
  199    HA   GLN  26           HA       GLN  26   5.594   1.274   0.462
  200    HB2  GLN  26           2HB      GLN  26   6.797  -0.173   1.995
  201    HB3  GLN  26           1HB      GLN  26   5.134  -0.001   2.507
  202    HG2  GLN  26           2HG      GLN  26   4.775  -2.231   1.304
  203    HG3  GLN  26           1HG      GLN  26   6.533  -2.357   1.364
  204   HE21  GLN  26          1HE2      GLN  26   4.593  -4.030   2.692
  205   HE22  GLN  26          2HE2      GLN  26   4.912  -3.888   4.384
  206    H    LEU  27           H        LEU  27   7.561   1.210  -0.534
  207    HA   LEU  27           HA       LEU  27   7.727  -0.796  -2.685
  208    HB2  LEU  27           2HB      LEU  27   8.411   2.136  -2.841
  209    HB3  LEU  27           1HB      LEU  27   8.609   0.977  -4.140
  210    HG   LEU  27           HG       LEU  27   5.979   1.822  -2.918
  211   HD11  LEU  27          1HD1      LEU  27   6.980   3.571  -4.270
  212   HD12  LEU  27          2HD1      LEU  27   5.580   2.877  -5.087
  213   HD13  LEU  27          3HD1      LEU  27   7.210   2.437  -5.601
  214   HD21  LEU  27          3HD2      LEU  27   5.933  -0.500  -3.661
  215   HD22  LEU  27          1HD2      LEU  27   6.542  -0.017  -5.241
  216   HD23  LEU  27          2HD2      LEU  27   4.948   0.526  -4.708
  217    H    ALA  28           H        ALA  28   9.860  -0.995  -3.682
  218    HA   ALA  28           HA       ALA  28  11.913  -1.314  -1.679
  219    HB1  ALA  28           1HB      ALA  28  13.110  -2.479  -3.452
  220    HB2  ALA  28           2HB      ALA  28  11.915  -1.937  -4.629
  221    HB3  ALA  28           3HB      ALA  28  11.444  -3.056  -3.349
  222    H    ASN  29           H        ASN  29  11.216   1.378  -2.262
  223    HA   ASN  29           HA       ASN  29  13.743   2.369  -3.387
  224    HB2  ASN  29           2HB      ASN  29  10.952   3.323  -4.042
  225    HB3  ASN  29           1HB      ASN  29  12.369   4.325  -4.314
  226   HD21  ASN  29          1HD2      ASN  29  10.596   1.524  -5.334
  227   HD22  ASN  29          2HD2      ASN  29  11.455   1.272  -6.816
  228    H    GLU  30           H        GLU  30  10.812   3.237  -1.623
  229    HA   GLU  30           HA       GLU  30  11.708   5.663  -0.581
  230    HB2  GLU  30           2HB      GLU  30   9.658   3.792   0.599
  231    HB3  GLU  30           1HB      GLU  30   9.784   5.523   0.881
  232    HG2  GLU  30           2HG      GLU  30   9.088   6.035  -1.303
  233    HG3  GLU  30           1HG      GLU  30   9.321   4.375  -1.854
  234    H    GLY  31           H        GLY  31  11.812   2.382   0.787
  235    HA2  GLY  31           2HA      GLY  31  13.880   3.228   2.625
  236    HA3  GLY  31           1HA      GLY  31  12.359   2.806   3.396
  237    H    CYS  32           H        CYS  32  11.471   0.608   2.566
  238    HA   CYS  32           HA       CYS  32  13.388  -1.332   3.291
  239    HB2  CYS  32           2HB      CYS  32  10.825  -1.266   3.598
  240    HB3  CYS  32           1HB      CYS  32  10.797  -2.054   2.021
  241    H    ASP  33           H        ASP  33  13.530  -3.423   2.018
  242    HA   ASP  33           HA       ASP  33  14.806  -2.677  -0.482
  243    HB2  ASP  33           2HB      ASP  33  16.092  -3.931   1.186
  244    HB3  ASP  33           1HB      ASP  33  14.908  -5.231   1.144
  245    H    ILE  34           H        ILE  34  12.049  -4.484   0.623
  246    HA   ILE  34           HA       ILE  34  11.514  -5.155  -2.192
  247    HB   ILE  34           HB       ILE  34  10.515  -7.171  -1.679
  248   HG12  ILE  34          2HG1      ILE  34  10.266  -6.306   1.212
  249   HG13  ILE  34          1HG1      ILE  34   8.957  -6.319   0.033
  250   HG21  ILE  34          1HG2      ILE  34  12.921  -7.257  -1.198
  251   HG22  ILE  34          2HG2      ILE  34  12.013  -8.405  -0.212
  252   HG23  ILE  34          3HG2      ILE  34  12.588  -6.892   0.495
  253   HD11  ILE  34          3HD1      ILE  34   9.167  -8.743  -0.163
  254   HD12  ILE  34          1HD1      ILE  34   8.828  -8.240   1.494
  255   HD13  ILE  34          2HD1      ILE  34  10.462  -8.722   1.035
  256    H    ASN  35           H        ASN  35   9.028  -5.439  -2.520
  257    HA   ASN  35           HA       ASN  35   7.757  -3.144  -1.186
  258    HB2  ASN  35           2HB      ASN  35   6.553  -2.735  -3.344
  259    HB3  ASN  35           1HB      ASN  35   8.294  -2.499  -3.441
  260   HD21  ASN  35          1HD2      ASN  35   9.547  -3.971  -4.622
  261   HD22  ASN  35          2HD2      ASN  35   8.832  -5.051  -5.769
  262    H    ALA  36           H        ALA  36   5.882  -3.509  -0.190
  263    HA   ALA  36           HA       ALA  36   4.277  -5.822  -1.067
  264    HB1  ALA  36           1HB      ALA  36   3.774  -6.398   1.240
  265    HB2  ALA  36           2HB      ALA  36   4.801  -5.084   1.815
  266    HB3  ALA  36           3HB      ALA  36   5.514  -6.451   0.959
  267    H    ILE  37           H        ILE  37   2.062  -5.570  -0.962
  268    HA   ILE  37           HA       ILE  37   1.172  -2.804  -0.744
  269    HB   ILE  37           HB       ILE  37  -0.339  -5.261  -1.646
  270   HG12  ILE  37          2HG1      ILE  37   1.517  -4.735  -3.147
  271   HG13  ILE  37          1HG1      ILE  37  -0.021  -4.380  -3.920
  272   HG21  ILE  37          1HG2      ILE  37  -1.860  -3.597  -0.838
  273   HG22  ILE  37          2HG2      ILE  37  -1.935  -3.627  -2.600
  274   HG23  ILE  37          3HG2      ILE  37  -1.052  -2.344  -1.776
  275   HD11  ILE  37          3HD1      ILE  37   0.283  -2.011  -3.452
  276   HD12  ILE  37          1HD1      ILE  37   1.619  -2.667  -4.396
  277   HD13  ILE  37          2HD1      ILE  37   1.824  -2.368  -2.670
  278    H    ILE  38           H        ILE  38   0.837  -2.253   1.376
  279    HA   ILE  38           HA       ILE  38  -0.216  -4.180   3.245
  280    HB   ILE  38           HB       ILE  38   0.203  -1.213   3.657
  281   HG12  ILE  38          2HG1      ILE  38   2.010  -3.512   4.424
  282   HG13  ILE  38          1HG1      ILE  38   2.294  -2.440   3.057
  283   HG21  ILE  38          1HG2      ILE  38   0.191  -1.800   6.040
  284   HG22  ILE  38          2HG2      ILE  38  -0.179  -3.472   5.615
  285   HG23  ILE  38          3HG2      ILE  38  -1.337  -2.193   5.253
  286   HD11  ILE  38          3HD1      ILE  38   2.210  -1.644   5.959
  287   HD12  ILE  38          1HD1      ILE  38   2.442  -0.543   4.602
  288   HD13  ILE  38          2HD1      ILE  38   3.647  -1.784   4.946
  289    H    PHE  39           H        PHE  39  -2.321  -4.727   2.894
  290    HA   PHE  39           HA       PHE  39  -4.265  -2.553   2.631
  291    HB2  PHE  39           2HB      PHE  39  -4.528  -5.551   2.418
  292    HB3  PHE  39           1HB      PHE  39  -5.932  -4.500   2.533
  293    HD1  PHE  39           2HD      PHE  39  -5.015  -2.226   0.789
  294    HD2  PHE  39           1HD      PHE  39  -4.724  -6.448   0.310
  295    HE1  PHE  39           2HE      PHE  39  -4.975  -1.945  -1.671
  296    HE2  PHE  39           1HE      PHE  39  -4.676  -6.172  -2.122
  297    HZ   PHE  39           HZ       PHE  39  -4.798  -3.937  -3.106
  298    H    HIS  40           H        HIS  40  -4.888  -1.650   4.458
  299    HA   HIS  40           HA       HIS  40  -4.610  -3.064   6.978
  300    HB2  HIS  40           2HB      HIS  40  -5.776  -0.303   6.533
  301    HB3  HIS  40           1HB      HIS  40  -5.169  -0.970   8.043
  302    HD1  HIS  40           1HD      HIS  40  -2.892  -0.154   8.635
  303    HD2  HIS  40           2HD      HIS  40  -3.546  -0.114   4.533
  304    HE1  HIS  40           1HE      HIS  40  -0.792   0.790   7.604
  305    HE2  HIS  40           2HE      HIS  40  -1.349   1.083   5.179
  306    H    THR  41           H        THR  41  -6.176  -4.443   7.537
  307    HA   THR  41           HA       THR  41  -8.772  -4.207   6.291
  308    HB   THR  41           HB       THR  41  -9.246  -6.374   7.442
  309    HG1  THR  41           1HG      THR  41  -7.301  -7.442   8.264
  310   HG21  THR  41          3HG2      THR  41  -6.760  -6.270   5.735
  311   HG22  THR  41          1HG2      THR  41  -8.421  -6.299   5.146
  312   HG23  THR  41          2HG2      THR  41  -7.766  -7.691   6.007
  313    H    LYS  42           H        LYS  42 -10.741  -4.479   7.475
  314    HA   LYS  42           HA       LYS  42 -11.013  -2.742   9.705
  315    HB2  LYS  42           2HB      LYS  42 -12.754  -3.403   7.917
  316    HB3  LYS  42           1HB      LYS  42 -12.997  -4.859   8.870
  317    HG2  LYS  42           2HG      LYS  42 -13.707  -3.558  10.771
  318    HG3  LYS  42           1HG      LYS  42 -13.348  -2.058   9.914
  319    HD2  LYS  42           2HD      LYS  42 -15.429  -4.101   9.151
  320    HD3  LYS  42           1HD      LYS  42 -15.734  -2.516   9.863
  321    HE2  LYS  42           2HE      LYS  42 -14.636  -1.493   7.865
  322    HE3  LYS  42           1HE      LYS  42 -14.539  -3.107   7.159
  323    HZ1  LYS  42           3HZ      LYS  42 -17.005  -1.608   7.853
  324    HZ2  LYS  42           1HZ      LYS  42 -16.992  -3.234   7.368
  325    HZ3  LYS  42           2HZ      LYS  42 -16.460  -2.030   6.303
  326    H    LYS  43           H        LYS  43  -9.678  -5.684   9.447
  327    HA   LYS  43           HA       LYS  43 -10.573  -6.784  11.959
  328    HB2  LYS  43           2HB      LYS  43 -10.227  -8.216   9.954
  329    HB3  LYS  43           1HB      LYS  43  -8.524  -7.796   9.980
  330    HG2  LYS  43           2HG      LYS  43  -8.877 -10.000  10.897
  331    HG3  LYS  43           1HG      LYS  43  -8.286  -8.904  12.144
  332    HD2  LYS  43           2HD      LYS  43 -10.462  -8.701  13.103
  333    HD3  LYS  43           1HD      LYS  43 -11.200  -9.565  11.752
  334    HE2  LYS  43           2HE      LYS  43 -10.932 -10.946  13.808
  335    HE3  LYS  43           1HE      LYS  43 -10.117 -11.613  12.394
  336    HZ1  LYS  43           3HZ      LYS  43  -8.814 -10.058  14.568
  337    HZ2  LYS  43           1HZ      LYS  43  -8.037 -10.702  13.209
  338    HZ3  LYS  43           2HZ      LYS  43  -8.717 -11.737  14.358
  339    H    LYS  44           H        LYS  44  -8.603  -4.414  11.104
  340    HA   LYS  44           HA       LYS  44  -7.015  -3.194  12.144
  341    HB2  LYS  44           2HB      LYS  44  -7.179  -5.215  14.391
  342    HB3  LYS  44           1HB      LYS  44  -6.399  -3.640  14.465
  343    HG2  LYS  44           2HG      LYS  44  -9.338  -4.209  14.174
  344    HG3  LYS  44           1HG      LYS  44  -8.512  -3.509  15.565
  345    HD2  LYS  44           2HD      LYS  44  -7.872  -1.568  14.168
  346    HD3  LYS  44           1HD      LYS  44  -8.789  -2.260  12.830
  347    HE2  LYS  44           2HE      LYS  44 -10.811  -2.213  14.290
  348    HE3  LYS  44           1HE      LYS  44  -9.860  -1.343  15.493
  349    HZ1  LYS  44           3HZ      LYS  44 -10.721  -0.437  12.815
  350    HZ2  LYS  44           1HZ      LYS  44  -9.422   0.310  13.619
  351    HZ3  LYS  44           2HZ      LYS  44 -10.965   0.307  14.321
  352    H    LEU  45           H        LEU  45  -6.461  -5.585  10.449
  353    HA   LEU  45           HA       LEU  45  -3.708  -6.099  11.350
  354    HB2  LEU  45           2HB      LEU  45  -5.504  -7.796   9.620
  355    HB3  LEU  45           1HB      LEU  45  -3.812  -8.139   9.941
  356    HG   LEU  45           HG       LEU  45  -6.003  -8.057  12.025
  357   HD11  LEU  45          1HD1      LEU  45  -5.621 -10.490  12.136
  358   HD12  LEU  45          2HD1      LEU  45  -4.531 -10.362  10.755
  359   HD13  LEU  45          3HD1      LEU  45  -6.242  -9.976  10.567
  360   HD21  LEU  45          3HD2      LEU  45  -4.286  -9.023  13.503
  361   HD22  LEU  45          1HD2      LEU  45  -3.851  -7.402  12.958
  362   HD23  LEU  45          2HD2      LEU  45  -3.086  -8.813  12.229
  363    H    SER  46           H        SER  46  -2.060  -5.664   9.996
  364    HA   SER  46           HA       SER  46  -2.678  -4.337   7.493
  365    HB2  SER  46           2HB      SER  46  -0.145  -4.009   7.467
  366    HB3  SER  46           1HB      SER  46  -1.027  -3.209   8.770
  367    HG   SER  46           HG       SER  46   0.355  -5.688   8.942
  368    H    VAL  47           H        VAL  47  -3.310  -5.884   6.072
  369    HA   VAL  47           HA       VAL  47  -1.978  -8.419   5.881
  370    HB   VAL  47           HB       VAL  47  -4.003  -7.159   4.015
  371   HG11  VAL  47          1HG1      VAL  47  -2.716  -8.967   2.958
  372   HG12  VAL  47          2HG1      VAL  47  -4.404  -9.410   3.200
  373   HG13  VAL  47          3HG1      VAL  47  -3.167 -10.045   4.281
  374   HG21  VAL  47          3HG2      VAL  47  -4.905  -7.411   6.250
  375   HG22  VAL  47          1HG2      VAL  47  -4.371  -9.089   6.300
  376   HG23  VAL  47          2HG2      VAL  47  -5.632  -8.601   5.168
  377    H    CYS  48           H        CYS  48  -0.338  -8.984   4.531
  378    HA   CYS  48           HA       CYS  48   0.870  -6.791   3.040
  379    HB2  CYS  48           2HB      CYS  48   2.018  -9.512   3.679
  380    HB3  CYS  48           1HB      CYS  48   2.897  -8.120   3.043
  381    H    ALA  49           H        ALA  49  -0.589  -6.782   1.372
  382    HA   ALA  49           HA       ALA  49  -1.256  -9.079  -0.152
  383    HB1  ALA  49           1HB      ALA  49  -2.732  -7.141   0.034
  384    HB2  ALA  49           2HB      ALA  49  -2.323  -7.450  -1.654
  385    HB3  ALA  49           3HB      ALA  49  -1.533  -6.134  -0.778
  386    H    ASN  50           H        ASN  50  -0.554  -9.696  -2.177
  387    HA   ASN  50           HA       ASN  50   2.195  -9.006  -2.760
  388    HB2  ASN  50           2HB      ASN  50   0.311 -10.925  -4.165
  389    HB3  ASN  50           1HB      ASN  50   2.026 -10.747  -4.515
  390   HD21  ASN  50          1HD2      ASN  50   0.634 -10.725  -1.279
  391   HD22  ASN  50          2HD2      ASN  50   1.313 -12.243  -0.804
  392    HA   PRO  51           HA       PRO  51   0.944  -6.110  -5.933
  393    HB2  PRO  51           2HB      PRO  51   3.775  -6.103  -6.674
  394    HB3  PRO  51           1HB      PRO  51   2.781  -4.782  -6.058
  395    HG2  PRO  51           2HG      PRO  51   4.728  -5.930  -4.579
  396    HG3  PRO  51           1HG      PRO  51   3.245  -5.278  -3.858
  397    HD2  PRO  51           2HD      PRO  51   3.964  -8.118  -4.478
  398    HD3  PRO  51           1HD      PRO  51   3.152  -7.448  -3.043
  399    H    LYS  52           H        LYS  52   1.182  -9.144  -6.270
  400    HA   LYS  52           HA       LYS  52   2.003  -9.247  -9.101
  401    HB2  LYS  52           2HB      LYS  52   2.309 -11.263  -6.875
  402    HB3  LYS  52           1HB      LYS  52   2.488 -11.697  -8.574
  403    HG2  LYS  52           2HG      LYS  52   4.271  -9.895  -8.702
  404    HG3  LYS  52           1HG      LYS  52   4.199  -9.842  -6.941
  405    HD2  LYS  52           2HD      LYS  52   4.688 -12.378  -8.480
  406    HD3  LYS  52           1HD      LYS  52   5.991 -11.317  -7.951
  407    HE2  LYS  52           2HE      LYS  52   3.952 -12.527  -6.090
  408    HE3  LYS  52           1HE      LYS  52   5.518 -13.259  -6.437
  409    HZ1  LYS  52           3HZ      LYS  52   4.977 -10.687  -5.075
  410    HZ2  LYS  52           1HZ      LYS  52   6.507 -11.085  -5.683
  411    HZ3  LYS  52           2HZ      LYS  52   5.797 -12.039  -4.472
  412    H    GLN  53           H        GLN  53  -0.645  -9.363  -7.144
  413    HA   GLN  53           HA       GLN  53  -1.969 -11.458  -8.733
  414    HB2  GLN  53           2HB      GLN  53  -3.467 -11.533  -6.564
  415    HB3  GLN  53           1HB      GLN  53  -1.943 -12.414  -6.649
  416    HG2  GLN  53           2HG      GLN  53  -0.855 -10.403  -5.593
  417    HG3  GLN  53           1HG      GLN  53  -2.481  -9.789  -5.298
  418   HE21  GLN  53          1HE2      GLN  53  -2.202  -9.830  -3.091
  419   HE22  GLN  53          2HE2      GLN  53  -2.175 -11.313  -2.193
  420    H    THR  54           H        THR  54  -4.133 -11.165  -9.311
  421    HA   THR  54           HA       THR  54  -4.616  -8.526 -10.221
  422    HB   THR  54           HB       THR  54  -6.882  -9.674 -10.900
  423    HG1  THR  54           1HG      THR  54  -6.443 -11.991 -11.119
  424   HG21  THR  54          3HG2      THR  54  -5.746 -10.604 -12.878
  425   HG22  THR  54          1HG2      THR  54  -4.193 -10.402 -12.065
  426   HG23  THR  54          2HG2      THR  54  -5.169  -8.988 -12.471
  427    H    TRP  55           H        TRP  55  -6.140 -10.487  -7.670
  428    HA   TRP  55           HA       TRP  55  -8.269  -8.730  -7.182
  429    HB2  TRP  55           2HB      TRP  55  -8.601  -9.800  -5.104
  430    HB3  TRP  55           1HB      TRP  55  -8.080 -11.034  -6.236
  431    HD1  TRP  55           HD       TRP  55  -5.697 -12.100  -5.780
  432    HE1  TRP  55           1HE      TRP  55  -4.205 -12.162  -3.758
  433    HE3  TRP  55           3HE      TRP  55  -7.883  -8.440  -3.251
  434    HZ2  TRP  55           2HZ      TRP  55  -3.977 -10.755  -1.288
  435    HZ3  TRP  55           3HZ      TRP  55  -7.030  -7.828  -1.135
  436    HH2  TRP  55           HH       TRP  55  -5.136  -8.930  -0.107
  437    H    VAL  56           H        VAL  56  -4.958  -8.673  -6.256
  438    HA   VAL  56           HA       VAL  56  -5.195  -6.433  -4.511
  439    HB   VAL  56           HB       VAL  56  -2.884  -7.816  -5.830
  440   HG11  VAL  56          1HG1      VAL  56  -1.366  -6.290  -4.652
  441   HG12  VAL  56          2HG1      VAL  56  -2.744  -5.280  -4.215
  442   HG13  VAL  56          3HG1      VAL  56  -2.296  -5.480  -5.909
  443   HG21  VAL  56          3HG2      VAL  56  -3.855  -8.834  -3.860
  444   HG22  VAL  56          1HG2      VAL  56  -3.656  -7.328  -2.966
  445   HG23  VAL  56          2HG2      VAL  56  -2.236  -8.225  -3.508
  446    H    LYS  57           H        LYS  57  -4.133  -6.871  -7.885
  447    HA   LYS  57           HA       LYS  57  -3.565  -4.205  -8.467
  448    HB2  LYS  57           2HB      LYS  57  -4.679  -6.313 -10.324
  449    HB3  LYS  57           1HB      LYS  57  -3.895  -4.822 -10.827
  450    HG2  LYS  57           2HG      LYS  57  -1.844  -5.614  -9.615
  451    HG3  LYS  57           1HG      LYS  57  -2.653  -7.172  -9.427
  452    HD2  LYS  57           2HD      LYS  57  -2.919  -7.270 -11.892
  453    HD3  LYS  57           1HD      LYS  57  -1.972  -5.787 -12.019
  454    HE2  LYS  57           2HE      LYS  57  -0.143  -7.007 -10.769
  455    HE3  LYS  57           1HE      LYS  57  -1.079  -8.481 -11.018
  456    HZ1  LYS  57           3HZ      LYS  57  -1.001  -7.904 -13.460
  457    HZ2  LYS  57           1HZ      LYS  57   0.474  -8.382 -12.763
  458    HZ3  LYS  57           2HZ      LYS  57   0.168  -6.741 -13.062
  459    H    TYR  58           H        TYR  58  -6.624  -5.943  -8.439
  460    HA   TYR  58           HA       TYR  58  -8.203  -3.896  -9.552
  461    HB2  TYR  58           2HB      TYR  58  -9.246  -5.980  -9.497
  462    HB3  TYR  58           1HB      TYR  58  -8.765  -6.287  -7.833
  463    HD1  TYR  58           1HD      TYR  58 -10.899  -3.947  -9.819
  464    HD2  TYR  58           2HD      TYR  58 -10.341  -6.070  -6.178
  465    HE1  TYR  58           1HE      TYR  58 -13.081  -3.148  -9.022
  466    HE2  TYR  58           2HE      TYR  58 -12.517  -5.285  -5.372
  467    HH   TYR  58           HH       TYR  58 -14.817  -3.885  -7.380
  468    H    ILE  59           H        ILE  59  -7.591  -4.801  -6.160
  469    HA   ILE  59           HA       ILE  59  -9.188  -2.747  -5.079
  470    HB   ILE  59           HB       ILE  59  -6.958  -4.277  -3.737
  471   HG12  ILE  59          2HG1      ILE  59  -9.954  -4.745  -3.735
  472   HG13  ILE  59          1HG1      ILE  59  -8.790  -5.678  -4.662
  473   HG21  ILE  59          1HG2      ILE  59  -9.215  -2.638  -2.593
  474   HG22  ILE  59          2HG2      ILE  59  -7.497  -2.239  -2.533
  475   HG23  ILE  59          3HG2      ILE  59  -8.113  -3.642  -1.656
  476   HD11  ILE  59          3HD1      ILE  59  -7.753  -6.446  -2.601
  477   HD12  ILE  59          1HD1      ILE  59  -9.466  -6.857  -2.667
  478   HD13  ILE  59          2HD1      ILE  59  -8.923  -5.506  -1.672
  479    H    VAL  60           H        VAL  60  -5.684  -2.966  -5.638
  480    HA   VAL  60           HA       VAL  60  -5.089  -0.502  -4.373
  481    HB   VAL  60           HB       VAL  60  -3.350  -2.201  -4.734
  482   HG11  VAL  60          1HG1      VAL  60  -2.308  -2.490  -6.932
  483   HG12  VAL  60          2HG1      VAL  60  -3.514  -1.426  -7.652
  484   HG13  VAL  60          3HG1      VAL  60  -4.003  -2.975  -6.967
  485   HG21  VAL  60          3HG2      VAL  60  -2.772   0.441  -6.069
  486   HG22  VAL  60          1HG2      VAL  60  -1.557  -0.698  -5.489
  487   HG23  VAL  60          2HG2      VAL  60  -2.653   0.080  -4.346
  488    H    ARG  61           H        ARG  61  -5.974  -1.318  -7.703
  489    HA   ARG  61           HA       ARG  61  -5.484   1.218  -8.843
  490    HB2  ARG  61           2HB      ARG  61  -5.971  -0.817 -10.176
  491    HB3  ARG  61           1HB      ARG  61  -7.622  -0.807  -9.579
  492    HG2  ARG  61           2HG      ARG  61  -6.632   1.630 -10.953
  493    HG3  ARG  61           1HG      ARG  61  -6.962   0.202 -11.934
  494    HD2  ARG  61           2HD      ARG  61  -8.935   1.407  -9.997
  495    HD3  ARG  61           1HD      ARG  61  -8.883   1.803 -11.714
  496    HE   ARG  61           HE       ARG  61  -9.055  -0.965 -11.539
  497   HH11  ARG  61          1HH1      ARG  61 -11.042   1.815 -10.698
  498   HH12  ARG  61          2HH1      ARG  61 -12.542   0.944 -10.874
  499   HH21  ARG  61          1HH2      ARG  61 -11.019  -2.088 -11.772
  500   HH22  ARG  61          2HH2      ARG  61 -12.525  -1.278 -11.468
  501    H    LEU  62           H        LEU  62  -8.278  -0.168  -7.221
  502    HA   LEU  62           HA       LEU  62  -9.991   2.069  -7.476
  503    HB2  LEU  62           2HB      LEU  62 -10.569  -0.336  -6.877
  504    HB3  LEU  62           1HB      LEU  62  -9.988   0.021  -5.264
  505    HG   LEU  62           HG       LEU  62 -11.726   1.805  -5.088
  506   HD11  LEU  62          1HD1      LEU  62 -12.076   2.265  -7.441
  507   HD12  LEU  62          2HD1      LEU  62 -13.588   1.726  -6.710
  508   HD13  LEU  62          3HD1      LEU  62 -12.647   0.616  -7.706
  509   HD21  LEU  62          3HD2      LEU  62 -12.715  -0.982  -5.680
  510   HD22  LEU  62          1HD2      LEU  62 -13.580   0.247  -4.757
  511   HD23  LEU  62          2HD2      LEU  62 -12.067  -0.417  -4.138
  512    H    LEU  63           H        LEU  63  -7.666   1.045  -5.047
  513    HA   LEU  63           HA       LEU  63  -8.282   3.131  -3.208
  514    HB2  LEU  63           2HB      LEU  63  -6.121   1.071  -3.353
  515    HB3  LEU  63           1HB      LEU  63  -6.151   2.287  -2.086
  516    HG   LEU  63           HG       LEU  63  -8.390   0.336  -2.634
  517   HD11  LEU  63          1HD1      LEU  63  -6.381  -0.799  -1.838
  518   HD12  LEU  63          2HD1      LEU  63  -7.670  -0.824  -0.636
  519   HD13  LEU  63          3HD1      LEU  63  -6.315   0.293  -0.456
  520   HD21  LEU  63          3HD2      LEU  63  -9.246   1.086  -0.475
  521   HD22  LEU  63          1HD2      LEU  63  -9.138   2.418  -1.628
  522   HD23  LEU  63          2HD2      LEU  63  -7.925   2.251  -0.358
  523    H    SER  64           H        SER  64  -6.534   3.152  -6.070
  524    HA   SER  64           HA       SER  64  -4.813   5.324  -5.138
  525    HB2  SER  64           2HB      SER  64  -3.688   5.122  -7.338
  526    HB3  SER  64           1HB      SER  64  -3.688   3.611  -6.433
  527    HG   SER  64           HG       SER  64  -5.849   3.483  -7.850
  528    H    LYS  65           H        LYS  65  -7.878   5.044  -6.391
  529    HA   LYS  65           HA       LYS  65  -7.680   7.736  -7.545
  530    HB2  LYS  65           2HB      LYS  65  -7.808   5.869  -9.286
  531    HB3  LYS  65           1HB      LYS  65  -9.459   5.623  -8.740
  532    HG2  LYS  65           2HG      LYS  65 -10.075   7.842  -9.406
  533    HG3  LYS  65           1HG      LYS  65  -8.399   8.235  -9.795
  534    HD2  LYS  65           2HD      LYS  65  -8.418   6.516 -11.546
  535    HD3  LYS  65           1HD      LYS  65 -10.101   6.154 -11.163
  536    HE2  LYS  65           2HE      LYS  65  -9.051   8.805 -12.154
  537    HE3  LYS  65           1HE      LYS  65  -9.894   7.605 -13.135
  538    HZ1  LYS  65           3HZ      LYS  65 -10.991   9.198 -10.879
  539    HZ2  LYS  65           1HZ      LYS  65 -11.801   7.863 -11.548
  540    HZ3  LYS  65           2HZ      LYS  65 -11.472   9.224 -12.503
  541    H    LYS  66           H        LYS  66  -8.863   6.083  -5.099
  542    HA   LYS  66           HA       LYS  66 -11.279   7.765  -4.966
  543    HB2  LYS  66           2HB      LYS  66 -10.794   5.013  -3.868
  544    HB3  LYS  66           1HB      LYS  66 -12.024   6.063  -3.180
  545    HG2  LYS  66           2HG      LYS  66 -13.080   6.226  -5.402
  546    HG3  LYS  66           1HG      LYS  66 -11.886   5.083  -6.023
  547    HD2  LYS  66           2HD      LYS  66 -13.960   3.939  -5.472
  548    HD3  LYS  66           1HD      LYS  66 -12.660   3.413  -4.402
  549    HE2  LYS  66           2HE      LYS  66 -14.672   3.744  -3.117
  550    HE3  LYS  66           1HE      LYS  66 -13.491   4.976  -2.681
  551    HZ1  LYS  66           3HZ      LYS  66 -14.647   6.589  -3.966
  552    HZ2  LYS  66           1HZ      LYS  66 -15.794   5.806  -2.988
  553    HZ3  LYS  66           2HZ      LYS  66 -15.677   5.418  -4.635
  554    H    VAL  67           H        VAL  67  -8.337   8.018  -4.148
  555    HA   VAL  67           HA       VAL  67  -8.825   8.835  -1.363
  556    HB   VAL  67           HB       VAL  67  -6.343   8.863  -1.113
  557   HG11  VAL  67          1HG1      VAL  67  -7.612   6.909  -0.401
  558   HG12  VAL  67          2HG1      VAL  67  -6.043   6.429  -1.051
  559   HG13  VAL  67          3HG1      VAL  67  -7.501   6.231  -2.025
  560   HG21  VAL  67          3HG2      VAL  67  -5.717   9.198  -3.444
  561   HG22  VAL  67          1HG2      VAL  67  -6.368   7.614  -3.865
  562   HG23  VAL  67          2HG2      VAL  67  -4.961   7.736  -2.808
  563    H    LYS  68           H        LYS  68  -8.377  10.951  -0.760
  564    HA   LYS  68           HA       LYS  68  -8.517  12.858  -2.887
  565    HB2  LYS  68           2HB      LYS  68  -9.674  13.088  -0.639
  566    HB3  LYS  68           1HB      LYS  68  -8.098  13.487   0.033
  567    HG2  LYS  68           2HG      LYS  68  -7.937  15.360  -1.585
  568    HG3  LYS  68           1HG      LYS  68  -9.582  14.998  -2.108
  569    HD2  LYS  68           2HD      LYS  68  -9.777  16.763  -0.557
  570    HD3  LYS  68           1HD      LYS  68 -10.260  15.309   0.317
  571    HE2  LYS  68           2HE      LYS  68  -8.069  15.167   1.353
  572    HE3  LYS  68           1HE      LYS  68  -7.519  16.564   0.424
  573    HZ1  LYS  68           3HZ      LYS  68  -8.147  17.171   2.683
  574    HZ2  LYS  68           1HZ      LYS  68  -9.715  16.584   2.422
  575    HZ3  LYS  68           2HZ      LYS  68  -9.159  17.927   1.551
  576    H    ASN  69           H        ASN  69  -6.795  13.292  -4.036
  577    HA   ASN  69           HA       ASN  69  -4.171  13.440  -2.742
  578    HB2  ASN  69           2HB      ASN  69  -3.301  13.568  -5.098
  579    HB3  ASN  69           1HB      ASN  69  -4.177  12.088  -4.735
  580   HD21  ASN  69          1HD2      ASN  69  -6.190  11.745  -5.634
  581   HD22  ASN  69          2HD2      ASN  69  -6.745  12.635  -7.006
  582    H    MET  70           H        MET  70  -6.707  15.408  -3.600
  583    HA   MET  70           HA       MET  70  -5.111  17.790  -3.247
  584    HB2  MET  70           2HB      MET  70  -5.046  17.454  -5.689
  585    HB3  MET  70           1HB      MET  70  -6.797  17.376  -5.724
  586    HG2  MET  70           2HG      MET  70  -6.937  19.689  -4.994
  587    HG3  MET  70           1HG      MET  70  -5.177  19.778  -4.916
  588    HE1  MET  70           3HE      MET  70  -3.594  19.694  -7.022
  589    HE2  MET  70           1HE      MET  70  -4.163  19.388  -8.666
  590    HE3  MET  70           2HE      MET  70  -4.281  18.124  -7.442
  Start of MODEL    4
    1    H1   ALA   1           1HT      ALA   1  10.725   8.618   0.902
    2    H2   ALA   1           2HT      ALA   1  11.550  10.092   1.035
    3    H3   ALA   1           3HT      ALA   1  10.600   9.539   2.324
    4    HA   ALA   1           HA       ALA   1  13.097   8.308   1.311
    5    HB1  ALA   1           1HB      ALA   1  13.992   8.923   3.521
    6    HB2  ALA   1           2HB      ALA   1  12.474   9.736   3.893
    7    HB3  ALA   1           3HB      ALA   1  13.497  10.334   2.588
    8    H    SER   2           H        SER   2  13.884   6.647   2.983
    9    HA   SER   2           HA       SER   2  11.810   4.677   3.162
   10    HB2  SER   2           2HB      SER   2  14.526   4.342   4.398
   11    HB3  SER   2           1HB      SER   2  13.516   3.141   3.582
   12    HG   SER   2           HG       SER   2  15.481   4.325   2.504
   13    H    ASN   3           H        ASN   3  10.342   5.605   4.666
   14    HA   ASN   3           HA       ASN   3  11.120   6.026   7.403
   15    HB2  ASN   3           2HB      ASN   3   8.391   5.688   6.143
   16    HB3  ASN   3           1HB      ASN   3   8.655   6.100   7.833
   17   HD21  ASN   3          1HD2      ASN   3  10.968   7.789   7.190
   18   HD22  ASN   3          2HD2      ASN   3  10.307   9.248   6.530
   19    H    PHE   4           H        PHE   4   9.703   3.494   5.496
   20    HA   PHE   4           HA       PHE   4  10.400   1.567   7.596
   21    HB2  PHE   4           2HB      PHE   4   8.460   0.168   6.758
   22    HB3  PHE   4           1HB      PHE   4   8.016   1.588   7.666
   23    HD1  PHE   4           1HD      PHE   4   9.031   1.466   4.104
   24    HD2  PHE   4           2HD      PHE   4   5.848   1.960   6.882
   25    HE1  PHE   4           1HE      PHE   4   7.540   2.096   2.265
   26    HE2  PHE   4           2HE      PHE   4   4.350   2.602   5.042
   27    HZ   PHE   4           HZ       PHE   4   5.193   2.651   2.728
   28    H    ASP   5           H        ASP   5   9.987  -0.723   6.244
   29    HA   ASP   5           HA       ASP   5  11.495  -0.403   3.767
   30    HB2  ASP   5           2HB      ASP   5  11.323  -2.746   5.649
   31    HB3  ASP   5           1HB      ASP   5  12.045  -2.848   4.049
   32    H    CYS   6           H        CYS   6  10.082  -3.303   4.431
   33    HA   CYS   6           HA       CYS   6   7.749  -2.929   2.754
   34    HB2  CYS   6           2HB      CYS   6   8.525  -4.979   1.462
   35    HB3  CYS   6           1HB      CYS   6   9.478  -3.527   1.189
   36    H    CYS   7           H        CYS   7   7.073  -5.647   2.539
   37    HA   CYS   7           HA       CYS   7   7.088  -6.631   5.312
   38    HB2  CYS   7           2HB      CYS   7   5.350  -7.395   2.957
   39    HB3  CYS   7           1HB      CYS   7   5.361  -8.275   4.477
   40    H    LEU   8           H        LEU   8   8.518  -8.206   5.777
   41    HA   LEU   8           HA       LEU   8  10.103  -9.432   3.755
   42    HB2  LEU   8           2HB      LEU   8   9.700 -10.199   6.652
   43    HB3  LEU   8           1HB      LEU   8  10.930 -10.871   5.600
   44    HG   LEU   8           HG       LEU   8  10.738  -7.982   6.461
   45   HD11  LEU   8          1HD1      LEU   8  12.680 -10.156   7.225
   46   HD12  LEU   8          2HD1      LEU   8  11.436  -9.456   8.262
   47   HD13  LEU   8          3HD1      LEU   8  12.782  -8.463   7.707
   48   HD21  LEU   8          3HD2      LEU   8  12.894  -7.702   5.355
   49   HD22  LEU   8          1HD2      LEU   8  11.656  -8.208   4.205
   50   HD23  LEU   8          2HD2      LEU   8  12.836  -9.375   4.799
   51    H    GLY   9           H        GLY   9   7.129 -10.203   5.337
   52    HA2  GLY   9           2HA      GLY   9   6.886 -12.565   3.588
   53    HA3  GLY   9           1HA      GLY   9   6.296 -12.576   5.245
   54    H    TYR  10           H        TYR  10   5.092 -12.666   2.399
   55    HA   TYR  10           HA       TYR  10   3.146 -10.479   2.688
   56    HB2  TYR  10           2HB      TYR  10   3.656 -12.397   0.408
   57    HB3  TYR  10           1HB      TYR  10   2.449 -11.128   0.399
   58    HD1  TYR  10           2HD      TYR  10   6.132 -11.481   0.969
   59    HD2  TYR  10           1HD      TYR  10   2.980  -9.178  -0.759
   60    HE1  TYR  10           2HE      TYR  10   7.785  -9.976  -0.045
   61    HE2  TYR  10           1HE      TYR  10   4.636  -7.689  -1.773
   62    HH   TYR  10           HH       TYR  10   6.859  -7.025  -1.638
   63    H    THR  11           H        THR  11   1.033 -11.730   1.297
   64    HA   THR  11           HA       THR  11   0.364 -14.055   2.971
   65    HB   THR  11           HB       THR  11  -0.799 -11.886   3.644
   66    HG1  THR  11           1HG      THR  11  -1.805 -13.620   4.430
   67   HG21  THR  11          3HG2      THR  11  -2.756 -11.229   2.312
   68   HG22  THR  11          1HG2      THR  11  -2.304 -12.399   1.072
   69   HG23  THR  11          2HG2      THR  11  -1.262 -11.016   1.400
   70    H    ASP  12           H        ASP  12  -1.246 -15.497   1.977
   71    HA   ASP  12           HA       ASP  12  -1.286 -15.321  -0.963
   72    HB2  ASP  12           2HB      ASP  12  -0.754 -17.637   0.844
   73    HB3  ASP  12           1HB      ASP  12  -1.650 -17.949  -0.639
   74    H    ARG  13           H        ARG  13  -3.270 -14.035  -0.412
   75    HA   ARG  13           HA       ARG  13  -5.571 -15.845  -0.082
   76    HB2  ARG  13           2HB      ARG  13  -5.352 -13.064   1.085
   77    HB3  ARG  13           1HB      ARG  13  -6.756 -14.112   1.174
   78    HG2  ARG  13           2HG      ARG  13  -4.087 -14.553   2.501
   79    HG3  ARG  13           1HG      ARG  13  -5.622 -14.173   3.281
   80    HD2  ARG  13           2HD      ARG  13  -4.906 -16.701   1.809
   81    HD3  ARG  13           1HD      ARG  13  -5.147 -16.518   3.543
   82    HE   ARG  13           HE       ARG  13  -7.342 -16.080   1.621
   83   HH11  ARG  13          1HH1      ARG  13  -6.027 -17.623   4.483
   84   HH12  ARG  13          2HH1      ARG  13  -7.531 -18.391   4.910
   85   HH21  ARG  13          1HH2      ARG  13  -9.320 -17.050   2.195
   86   HH22  ARG  13          2HH2      ARG  13  -9.418 -18.043   3.622
   87    H    ILE  14           H        ILE  14  -7.622 -14.782  -0.711
   88    HA   ILE  14           HA       ILE  14  -7.315 -12.600  -2.667
   89    HB   ILE  14           HB       ILE  14  -9.356 -14.820  -2.548
   90   HG12  ILE  14          2HG1      ILE  14  -7.047 -14.966  -3.801
   91   HG13  ILE  14          1HG1      ILE  14  -8.516 -15.602  -4.537
   92   HG21  ILE  14          1HG2      ILE  14 -10.575 -13.752  -4.346
   93   HG22  ILE  14          2HG2      ILE  14  -9.448 -12.397  -4.333
   94   HG23  ILE  14          3HG2      ILE  14 -10.499 -12.680  -2.947
   95   HD11  ILE  14          3HD1      ILE  14  -8.755 -13.473  -5.775
   96   HD12  ILE  14          1HD1      ILE  14  -7.290 -14.371  -6.182
   97   HD13  ILE  14          2HD1      ILE  14  -7.195 -12.963  -5.123
   98    H    LEU  15           H        LEU  15  -7.449 -11.018  -1.020
   99    HA   LEU  15           HA       LEU  15  -9.899 -10.960   0.576
  100    HB2  LEU  15           2HB      LEU  15  -7.549  -9.054   0.565
  101    HB3  LEU  15           1HB      LEU  15  -8.957  -8.894   1.592
  102    HG   LEU  15           HG       LEU  15  -7.436  -9.821   3.034
  103   HD11  LEU  15          1HD1      LEU  15  -9.409 -11.193   3.074
  104   HD12  LEU  15          2HD1      LEU  15  -7.986 -12.197   3.350
  105   HD13  LEU  15          3HD1      LEU  15  -8.779 -12.205   1.774
  106   HD21  LEU  15          3HD2      LEU  15  -5.623 -10.106   1.493
  107   HD22  LEU  15          1HD2      LEU  15  -6.410 -11.502   0.758
  108   HD23  LEU  15          2HD2      LEU  15  -5.827 -11.591   2.423
  109    H    HIS  16           H        HIS  16 -11.107  -8.841   0.619
  110    HA   HIS  16           HA       HIS  16 -11.123  -7.644  -2.075
  111    HB2  HIS  16           2HB      HIS  16 -13.585  -8.419  -0.503
  112    HB3  HIS  16           1HB      HIS  16 -13.558  -7.681  -2.095
  113    HD1  HIS  16           1HD      HIS  16 -15.132 -10.091  -1.940
  114    HD2  HIS  16           2HD      HIS  16 -11.030 -10.279  -2.554
  115    HE1  HIS  16           1HE      HIS  16 -14.701 -12.344  -2.843
  116    HE2  HIS  16           2HE      HIS  16 -12.266 -12.373  -3.472
  117    HA   PRO  17           HA       PRO  17 -12.046  -3.718  -0.018
  118    HB2  PRO  17           2HB      PRO  17 -14.511  -3.063  -1.132
  119    HB3  PRO  17           1HB      PRO  17 -12.942  -2.654  -1.831
  120    HG2  PRO  17           2HG      PRO  17 -14.803  -4.880  -2.513
  121    HG3  PRO  17           1HG      PRO  17 -13.772  -3.906  -3.579
  122    HD2  PRO  17           2HD      PRO  17 -13.130  -6.432  -2.868
  123    HD3  PRO  17           1HD      PRO  17 -11.893  -5.174  -3.124
  124    H    LYS  18           H        LYS  18 -14.282  -6.318  -0.301
  125    HA   LYS  18           HA       LYS  18 -16.215  -6.017   1.577
  126    HB2  LYS  18           2HB      LYS  18 -14.501  -8.372   0.803
  127    HB3  LYS  18           1HB      LYS  18 -15.728  -8.564   2.031
  128    HG2  LYS  18           2HG      LYS  18 -17.445  -7.925   0.450
  129    HG3  LYS  18           1HG      LYS  18 -16.223  -7.633  -0.781
  130    HD2  LYS  18           2HD      LYS  18 -17.237  -9.781  -1.152
  131    HD3  LYS  18           1HD      LYS  18 -15.570 -10.006  -0.628
  132    HE2  LYS  18           2HE      LYS  18 -16.904 -11.614   0.506
  133    HE3  LYS  18           1HE      LYS  18 -16.436 -10.390   1.688
  134    HZ1  LYS  18           3HZ      LYS  18 -18.823 -11.114   1.740
  135    HZ2  LYS  18           1HZ      LYS  18 -19.027 -10.335   0.251
  136    HZ3  LYS  18           2HZ      LYS  18 -18.581  -9.443   1.626
  137    H    PHE  19           H        PHE  19 -12.764  -6.411   2.192
  138    HA   PHE  19           HA       PHE  19 -13.337  -6.402   5.088
  139    HB2  PHE  19           2HB      PHE  19 -11.082  -7.848   3.690
  140    HB3  PHE  19           1HB      PHE  19 -11.364  -7.813   5.431
  141    HD1  PHE  19           1HD      PHE  19 -13.607  -8.764   6.268
  142    HD2  PHE  19           2HD      PHE  19 -12.035  -9.512   2.382
  143    HE1  PHE  19           1HE      PHE  19 -15.057 -10.740   6.063
  144    HE2  PHE  19           2HE      PHE  19 -13.480 -11.484   2.171
  145    HZ   PHE  19           HZ       PHE  19 -15.001 -12.106   4.011
  146    H    ILE  20           H        ILE  20 -12.019  -4.614   2.648
  147    HA   ILE  20           HA       ILE  20  -9.697  -3.724   4.216
  148    HB   ILE  20           HB       ILE  20 -10.364  -3.503   1.292
  149   HG12  ILE  20          2HG1      ILE  20  -7.749  -4.389   2.422
  150   HG13  ILE  20          1HG1      ILE  20  -9.126  -5.479   2.561
  151   HG21  ILE  20          1HG2      ILE  20  -8.337  -2.168   0.976
  152   HG22  ILE  20          2HG2      ILE  20  -8.128  -2.073   2.725
  153   HG23  ILE  20          3HG2      ILE  20  -9.525  -1.314   1.961
  154   HD11  ILE  20          3HD1      ILE  20  -9.385  -5.439   0.142
  155   HD12  ILE  20          1HD1      ILE  20  -7.770  -5.970   0.613
  156   HD13  ILE  20          2HD1      ILE  20  -8.020  -4.331   0.016
  157    H    VAL  21           H        VAL  21  -9.656  -1.836   5.213
  158    HA   VAL  21           HA       VAL  21 -11.630   0.213   4.436
  159    HB   VAL  21           HB       VAL  21 -11.555   1.017   6.803
  160   HG11  VAL  21          1HG1      VAL  21 -13.022  -0.745   7.687
  161   HG12  VAL  21          2HG1      VAL  21 -12.511  -1.812   6.380
  162   HG13  VAL  21          3HG1      VAL  21 -13.405  -0.337   6.013
  163   HG21  VAL  21          3HG2      VAL  21  -9.438   0.033   7.501
  164   HG22  VAL  21          1HG2      VAL  21 -10.104  -1.589   7.295
  165   HG23  VAL  21          2HG2      VAL  21 -10.746  -0.524   8.545
  166    H    GLY  22           H        GLY  22  -8.364  -0.548   4.679
  167    HA2  GLY  22           2HA      GLY  22  -7.611   2.207   4.113
  168    HA3  GLY  22           1HA      GLY  22  -6.911   1.506   5.568
  169    H    PHE  23           H        PHE  23  -5.260   2.365   3.522
  170    HA   PHE  23           HA       PHE  23  -3.985  -0.134   2.715
  171    HB2  PHE  23           2HB      PHE  23  -5.268  -0.056   0.872
  172    HB3  PHE  23           1HB      PHE  23  -5.474   1.691   0.933
  173    HD1  PHE  23           2HD      PHE  23  -3.164  -1.015   0.034
  174    HD2  PHE  23           1HD      PHE  23  -4.109   3.107  -0.216
  175    HE1  PHE  23           2HE      PHE  23  -1.449  -0.741  -1.709
  176    HE2  PHE  23           1HE      PHE  23  -2.405   3.393  -1.976
  177    HZ   PHE  23           HZ       PHE  23  -1.085   1.444  -2.688
  178    H    THR  24           H        THR  24  -1.875   0.043   2.734
  179    HA   THR  24           HA       THR  24  -0.564   2.622   2.279
  180    HB   THR  24           HB       THR  24   0.126   0.842   4.624
  181    HG1  THR  24           1HG      THR  24  -0.949   3.474   4.774
  182   HG21  THR  24          3HG2      THR  24   2.042   2.038   3.678
  183   HG22  THR  24          1HG2      THR  24   1.620   2.668   5.273
  184   HG23  THR  24          2HG2      THR  24   1.166   3.562   3.821
  185    H    ARG  25           H        ARG  25   1.015   2.293   0.756
  186    HA   ARG  25           HA       ARG  25   1.832  -0.489   0.310
  187    HB2  ARG  25           2HB      ARG  25   0.977   0.484  -1.663
  188    HB3  ARG  25           1HB      ARG  25   1.923   1.957  -1.445
  189    HG2  ARG  25           2HG      ARG  25   3.987   0.573  -1.783
  190    HG3  ARG  25           1HG      ARG  25   2.932  -0.779  -2.199
  191    HD2  ARG  25           2HD      ARG  25   2.420   1.733  -3.656
  192    HD3  ARG  25           1HD      ARG  25   3.965   0.956  -3.996
  193    HE   ARG  25           HE       ARG  25   1.409  -0.491  -4.248
  194   HH11  ARG  25          1HH1      ARG  25   4.451   0.605  -5.588
  195   HH12  ARG  25          2HH1      ARG  25   4.353  -0.407  -6.989
  196   HH21  ARG  25          1HH2      ARG  25   1.262  -1.818  -6.140
  197   HH22  ARG  25          2HH2      ARG  25   2.560  -1.787  -7.297
  198    H    GLN  26           H        GLN  26   3.669  -1.169   1.145
  199    HA   GLN  26           HA       GLN  26   5.848   0.601   1.778
  200    HB2  GLN  26           2HB      GLN  26   5.325  -2.312   1.998
  201    HB3  GLN  26           1HB      GLN  26   7.010  -1.831   1.835
  202    HG2  GLN  26           2HG      GLN  26   7.050  -1.436   4.001
  203    HG3  GLN  26           1HG      GLN  26   5.924  -0.113   3.740
  204   HE21  GLN  26          1HE2      GLN  26   5.174  -3.492   3.245
  205   HE22  GLN  26          2HE2      GLN  26   4.060  -3.637   4.555
  206    H    LEU  27           H        LEU  27   7.608   1.057   0.533
  207    HA   LEU  27           HA       LEU  27   7.213   0.380  -2.283
  208    HB2  LEU  27           2HB      LEU  27   8.853   2.563  -1.023
  209    HB3  LEU  27           1HB      LEU  27   8.601   2.336  -2.742
  210    HG   LEU  27           HG       LEU  27   6.415   2.964  -0.756
  211   HD11  LEU  27          1HD1      LEU  27   6.429   5.206  -1.699
  212   HD12  LEU  27          2HD1      LEU  27   7.782   4.775  -2.747
  213   HD13  LEU  27          3HD1      LEU  27   8.002   4.822  -0.997
  214   HD21  LEU  27          3HD2      LEU  27   5.056   3.392  -2.734
  215   HD22  LEU  27          1HD2      LEU  27   5.648   1.731  -2.729
  216   HD23  LEU  27          2HD2      LEU  27   6.405   2.934  -3.776
  217    H    ALA  28           H        ALA  28   8.889  -0.198  -3.642
  218    HA   ALA  28           HA       ALA  28  11.261  -1.337  -2.377
  219    HB1  ALA  28           1HB      ALA  28  11.568  -2.514  -4.515
  220    HB2  ALA  28           2HB      ALA  28  10.147  -1.693  -5.164
  221    HB3  ALA  28           3HB      ALA  28   9.976  -2.828  -3.823
  222    H    ASN  29           H        ASN  29  10.411   1.544  -3.467
  223    HA   ASN  29           HA       ASN  29  12.828   2.038  -5.047
  224    HB2  ASN  29           2HB      ASN  29  10.363   3.748  -4.636
  225    HB3  ASN  29           1HB      ASN  29  11.774   4.249  -5.563
  226   HD21  ASN  29          1HD2      ASN  29   8.907   2.341  -5.535
  227   HD22  ASN  29          2HD2      ASN  29   9.001   1.787  -7.172
  228    H    GLU  30           H        GLU  30  10.993   3.874  -2.603
  229    HA   GLU  30           HA       GLU  30  13.558   4.364  -1.265
  230    HB2  GLU  30           2HB      GLU  30  12.428   6.411  -0.288
  231    HB3  GLU  30           1HB      GLU  30  12.820   6.480  -1.997
  232    HG2  GLU  30           2HG      GLU  30  10.541   6.143  -2.608
  233    HG3  GLU  30           1HG      GLU  30  10.092   5.784  -0.940
  234    H    GLY  31           H        GLY  31  13.403   2.493  -0.075
  235    HA2  GLY  31           2HA      GLY  31  12.507   2.629   2.488
  236    HA3  GLY  31           1HA      GLY  31  11.139   1.954   1.614
  237    H    CYS  32           H        CYS  32  11.542   0.040   0.327
  238    HA   CYS  32           HA       CYS  32  13.629  -1.646   1.533
  239    HB2  CYS  32           2HB      CYS  32  11.333  -2.267   2.209
  240    HB3  CYS  32           1HB      CYS  32  10.890  -2.441   0.517
  241    H    ASP  33           H        ASP  33  14.074  -3.621  -0.006
  242    HA   ASP  33           HA       ASP  33  14.451  -2.641  -2.724
  243    HB2  ASP  33           2HB      ASP  33  15.203  -5.256  -1.386
  244    HB3  ASP  33           1HB      ASP  33  15.523  -4.906  -3.080
  245    H    ILE  34           H        ILE  34  12.325  -4.593  -0.910
  246    HA   ILE  34           HA       ILE  34  10.909  -5.388  -3.366
  247    HB   ILE  34           HB       ILE  34  10.265  -7.372  -2.412
  248   HG12  ILE  34          2HG1      ILE  34  10.456  -6.068   0.316
  249   HG13  ILE  34          1HG1      ILE  34   8.978  -6.430  -0.570
  250   HG21  ILE  34          1HG2      ILE  34  12.677  -6.749  -0.710
  251   HG22  ILE  34          2HG2      ILE  34  12.721  -7.327  -2.377
  252   HG23  ILE  34          3HG2      ILE  34  12.065  -8.357  -1.105
  253   HD11  ILE  34          3HD1      ILE  34   9.382  -8.035   1.224
  254   HD12  ILE  34          1HD1      ILE  34  10.926  -8.469   0.488
  255   HD13  ILE  34          2HD1      ILE  34   9.419  -8.812  -0.361
  256    H    ASN  35           H        ASN  35   8.440  -5.347  -3.054
  257    HA   ASN  35           HA       ASN  35   7.724  -3.233  -1.139
  258    HB2  ASN  35           2HB      ASN  35   6.471  -2.004  -2.733
  259    HB3  ASN  35           1HB      ASN  35   8.008  -2.348  -3.508
  260   HD21  ASN  35          1HD2      ASN  35   8.073  -3.850  -5.220
  261   HD22  ASN  35          2HD2      ASN  35   6.633  -4.296  -6.064
  262    H    ALA  36           H        ALA  36   5.842  -3.456  -0.097
  263    HA   ALA  36           HA       ALA  36   4.086  -5.683  -0.915
  264    HB1  ALA  36           1HB      ALA  36   5.004  -5.068   1.890
  265    HB2  ALA  36           2HB      ALA  36   5.418  -6.486   0.926
  266    HB3  ALA  36           3HB      ALA  36   3.755  -6.238   1.467
  267    H    ILE  37           H        ILE  37   1.922  -5.443  -0.440
  268    HA   ILE  37           HA       ILE  37   1.037  -2.689  -0.060
  269    HB   ILE  37           HB       ILE  37  -0.531  -5.148  -0.860
  270   HG12  ILE  37          2HG1      ILE  37   1.164  -4.567  -2.543
  271   HG13  ILE  37          1HG1      ILE  37  -0.460  -4.246  -3.139
  272   HG21  ILE  37          1HG2      ILE  37  -2.220  -3.493  -1.600
  273   HG22  ILE  37          2HG2      ILE  37  -1.242  -2.233  -0.848
  274   HG23  ILE  37          3HG2      ILE  37  -1.950  -3.503   0.144
  275   HD11  ILE  37          3HD1      ILE  37   1.468  -2.206  -2.074
  276   HD12  ILE  37          1HD1      ILE  37  -0.165  -1.876  -2.651
  277   HD13  ILE  37          2HD1      ILE  37   1.062  -2.483  -3.767
  278    H    ILE  38           H        ILE  38   0.531  -2.107   1.997
  279    HA   ILE  38           HA       ILE  38  -0.448  -4.124   3.856
  280    HB   ILE  38           HB       ILE  38   0.103  -1.181   4.274
  281   HG12  ILE  38          2HG1      ILE  38   2.116  -2.561   3.950
  282   HG13  ILE  38          1HG1      ILE  38   2.005  -1.944   5.592
  283   HG21  ILE  38          1HG2      ILE  38  -1.676  -1.912   5.750
  284   HG22  ILE  38          2HG2      ILE  38  -0.193  -1.655   6.671
  285   HG23  ILE  38          3HG2      ILE  38  -0.710  -3.294   6.268
  286   HD11  ILE  38          3HD1      ILE  38   2.758  -4.250   5.551
  287   HD12  ILE  38          1HD1      ILE  38   1.283  -4.726   4.713
  288   HD13  ILE  38          2HD1      ILE  38   1.198  -4.106   6.362
  289    H    PHE  39           H        PHE  39  -2.477  -4.657   3.215
  290    HA   PHE  39           HA       PHE  39  -4.456  -2.537   2.904
  291    HB2  PHE  39           2HB      PHE  39  -4.630  -5.540   2.670
  292    HB3  PHE  39           1HB      PHE  39  -6.071  -4.536   2.735
  293    HD1  PHE  39           1HD      PHE  39  -4.967  -2.203   1.103
  294    HD2  PHE  39           2HD      PHE  39  -4.905  -6.418   0.497
  295    HE1  PHE  39           1HE      PHE  39  -4.830  -1.852  -1.338
  296    HE2  PHE  39           2HE      PHE  39  -4.750  -6.073  -1.924
  297    HZ   PHE  39           HZ       PHE  39  -4.706  -3.801  -2.838
  298    H    HIS  40           H        HIS  40  -5.317  -1.655   4.602
  299    HA   HIS  40           HA       HIS  40  -5.135  -2.923   7.206
  300    HB2  HIS  40           2HB      HIS  40  -6.452  -0.283   6.487
  301    HB3  HIS  40           1HB      HIS  40  -6.012  -0.832   8.098
  302    HD1  HIS  40           1HD      HIS  40  -4.009   0.376   8.920
  303    HD2  HIS  40           2HD      HIS  40  -3.871  -0.227   4.815
  304    HE1  HIS  40           1HE      HIS  40  -1.875   1.450   8.136
  305    HE2  HIS  40           2HE      HIS  40  -1.956   1.300   5.633
  306    H    THR  41           H        THR  41  -6.600  -4.439   7.648
  307    HA   THR  41           HA       THR  41  -9.112  -4.466   6.238
  308    HB   THR  41           HB       THR  41  -9.503  -6.607   7.445
  309    HG1  THR  41           1HG      THR  41  -6.806  -6.376   8.321
  310   HG21  THR  41          3HG2      THR  41  -8.458  -6.593   5.241
  311   HG22  THR  41          1HG2      THR  41  -7.762  -7.866   6.243
  312   HG23  THR  41          2HG2      THR  41  -6.873  -6.365   5.979
  313    H    LYS  42           H        LYS  42 -11.135  -4.697   7.227
  314    HA   LYS  42           HA       LYS  42 -11.677  -2.932   9.369
  315    HB2  LYS  42           2HB      LYS  42 -13.262  -3.487   7.546
  316    HB3  LYS  42           1HB      LYS  42 -13.392  -5.125   8.164
  317    HG2  LYS  42           2HG      LYS  42 -14.497  -4.374  10.140
  318    HG3  LYS  42           1HG      LYS  42 -14.162  -2.685   9.747
  319    HD2  LYS  42           2HD      LYS  42 -16.499  -3.366   9.249
  320    HD3  LYS  42           1HD      LYS  42 -15.626  -2.793   7.827
  321    HE2  LYS  42           2HE      LYS  42 -15.196  -5.111   7.162
  322    HE3  LYS  42           1HE      LYS  42 -16.063  -5.677   8.587
  323    HZ1  LYS  42           3HZ      LYS  42 -17.231  -4.093   6.357
  324    HZ2  LYS  42           1HZ      LYS  42 -18.065  -4.617   7.740
  325    HZ3  LYS  42           2HZ      LYS  42 -17.460  -5.748   6.633
  326    H    LYS  43           H        LYS  43 -10.246  -5.887   9.355
  327    HA   LYS  43           HA       LYS  43 -11.227  -6.674  11.965
  328    HB2  LYS  43           2HB      LYS  43  -9.555  -7.997   9.883
  329    HB3  LYS  43           1HB      LYS  43  -9.383  -8.523  11.552
  330    HG2  LYS  43           2HG      LYS  43 -11.783  -9.036  11.618
  331    HG3  LYS  43           1HG      LYS  43 -11.926  -8.536   9.931
  332    HD2  LYS  43           2HD      LYS  43 -10.623 -10.320   9.169
  333    HD3  LYS  43           1HD      LYS  43  -9.978 -10.657  10.775
  334    HE2  LYS  43           2HE      LYS  43 -11.608 -12.347  10.114
  335    HE3  LYS  43           1HE      LYS  43 -12.176 -11.430  11.507
  336    HZ1  LYS  43           3HZ      LYS  43 -13.608 -10.151  10.070
  337    HZ2  LYS  43           1HZ      LYS  43 -13.922 -11.800   9.844
  338    HZ3  LYS  43           2HZ      LYS  43 -13.015 -10.953   8.698
  339    H    LYS  44           H        LYS  44  -9.201  -4.448  10.910
  340    HA   LYS  44           HA       LYS  44  -7.551  -3.196  11.832
  341    HB2  LYS  44           2HB      LYS  44  -7.833  -5.044  14.208
  342    HB3  LYS  44           1HB      LYS  44  -6.864  -3.578  14.178
  343    HG2  LYS  44           2HG      LYS  44  -8.877  -2.244  13.815
  344    HG3  LYS  44           1HG      LYS  44  -9.854  -3.715  13.828
  345    HD2  LYS  44           2HD      LYS  44  -9.956  -2.635  15.998
  346    HD3  LYS  44           1HD      LYS  44  -9.091  -4.165  16.134
  347    HE2  LYS  44           2HE      LYS  44  -6.955  -2.918  15.981
  348    HE3  LYS  44           1HE      LYS  44  -7.876  -1.412  15.977
  349    HZ1  LYS  44           3HZ      LYS  44  -7.193  -1.755  18.180
  350    HZ2  LYS  44           1HZ      LYS  44  -7.630  -3.394  18.165
  351    HZ3  LYS  44           2HZ      LYS  44  -8.831  -2.199  18.157
  352    H    LEU  45           H        LEU  45  -7.208  -6.024  10.567
  353    HA   LEU  45           HA       LEU  45  -4.486  -6.611  11.435
  354    HB2  LEU  45           2HB      LEU  45  -6.225  -7.999   9.392
  355    HB3  LEU  45           1HB      LEU  45  -4.666  -8.563   9.957
  356    HG   LEU  45           HG       LEU  45  -7.155  -8.316  11.655
  357   HD11  LEU  45          1HD1      LEU  45  -5.744 -10.757  10.584
  358   HD12  LEU  45          2HD1      LEU  45  -7.288 -10.125  10.006
  359   HD13  LEU  45          3HD1      LEU  45  -7.149 -10.746  11.652
  360   HD21  LEU  45          3HD2      LEU  45  -5.822  -9.545  13.322
  361   HD22  LEU  45          1HD2      LEU  45  -5.163  -7.947  12.972
  362   HD23  LEU  45          2HD2      LEU  45  -4.408  -9.384  12.281
  363    H    SER  46           H        SER  46  -2.779  -5.824  10.410
  364    HA   SER  46           HA       SER  46  -3.087  -4.467   7.871
  365    HB2  SER  46           2HB      SER  46  -0.610  -3.992   8.224
  366    HB3  SER  46           1HB      SER  46  -1.698  -3.334   9.444
  367    HG   SER  46           HG       SER  46  -0.287  -5.788   9.677
  368    H    VAL  47           H        VAL  47  -3.425  -5.991   6.315
  369    HA   VAL  47           HA       VAL  47  -1.889  -8.450   6.315
  370    HB   VAL  47           HB       VAL  47  -4.008  -7.482   4.380
  371   HG11  VAL  47          1HG1      VAL  47  -2.536  -9.179   3.406
  372   HG12  VAL  47          2HG1      VAL  47  -4.168  -9.799   3.663
  373   HG13  VAL  47          3HG1      VAL  47  -2.870 -10.246   4.771
  374   HG21  VAL  47          3HG2      VAL  47  -5.520  -8.984   5.590
  375   HG22  VAL  47          1HG2      VAL  47  -4.881  -7.724   6.645
  376   HG23  VAL  47          2HG2      VAL  47  -4.231  -9.360   6.731
  377    H    CYS  48           H        CYS  48  -0.155  -8.878   5.023
  378    HA   CYS  48           HA       CYS  48   0.806  -6.706   3.365
  379    HB2  CYS  48           2HB      CYS  48   2.107  -9.337   4.100
  380    HB3  CYS  48           1HB      CYS  48   2.851  -8.104   3.084
  381    H    ALA  49           H        ALA  49  -0.707  -6.751   1.798
  382    HA   ALA  49           HA       ALA  49  -1.334  -9.017   0.211
  383    HB1  ALA  49           1HB      ALA  49  -2.420  -7.350  -1.238
  384    HB2  ALA  49           2HB      ALA  49  -1.655  -6.057  -0.309
  385    HB3  ALA  49           3HB      ALA  49  -2.843  -7.112   0.458
  386    H    ASN  50           H        ASN  50  -0.533  -9.584  -1.806
  387    HA   ASN  50           HA       ASN  50   2.175  -8.654  -2.316
  388    HB2  ASN  50           2HB      ASN  50   0.615 -10.764  -3.812
  389    HB3  ASN  50           1HB      ASN  50   2.337 -10.459  -3.934
  390   HD21  ASN  50          1HD2      ASN  50   0.572 -10.556  -0.880
  391   HD22  ASN  50          2HD2      ASN  50   1.254 -12.058  -0.357
  392    HA   PRO  51           HA       PRO  51   0.781  -5.806  -5.484
  393    HB2  PRO  51           2HB      PRO  51   3.389  -5.561  -6.474
  394    HB3  PRO  51           1HB      PRO  51   2.626  -4.509  -5.282
  395    HG2  PRO  51           2HG      PRO  51   4.511  -6.777  -4.868
  396    HG3  PRO  51           1HG      PRO  51   4.338  -5.271  -3.953
  397    HD2  PRO  51           2HD      PRO  51   3.430  -7.619  -3.013
  398    HD3  PRO  51           1HD      PRO  51   2.596  -6.085  -2.699
  399    H    LYS  52           H        LYS  52   2.061  -8.877  -5.665
  400    HA   LYS  52           HA       LYS  52   2.507  -9.141  -8.486
  401    HB2  LYS  52           2HB      LYS  52   2.069 -11.270  -6.377
  402    HB3  LYS  52           1HB      LYS  52   2.792 -11.502  -7.963
  403    HG2  LYS  52           2HG      LYS  52   4.755 -10.347  -7.358
  404    HG3  LYS  52           1HG      LYS  52   4.004  -9.678  -5.907
  405    HD2  LYS  52           2HD      LYS  52   3.819 -11.962  -4.983
  406    HD3  LYS  52           1HD      LYS  52   4.640 -12.586  -6.412
  407    HE2  LYS  52           2HE      LYS  52   5.838 -10.554  -4.538
  408    HE3  LYS  52           1HE      LYS  52   6.097 -12.292  -4.399
  409    HZ1  LYS  52           3HZ      LYS  52   6.859 -10.570  -6.700
  410    HZ2  LYS  52           1HZ      LYS  52   7.018 -12.260  -6.661
  411    HZ3  LYS  52           2HZ      LYS  52   7.909 -11.299  -5.590
  412    H    GLN  53           H        GLN  53  -0.148  -9.604  -6.274
  413    HA   GLN  53           HA       GLN  53  -1.597 -11.375  -8.057
  414    HB2  GLN  53           2HB      GLN  53  -3.001 -10.364  -5.693
  415    HB3  GLN  53           1HB      GLN  53  -2.693 -12.023  -6.194
  416    HG2  GLN  53           2HG      GLN  53  -0.454 -11.926  -5.262
  417    HG3  GLN  53           1HG      GLN  53  -0.679 -10.226  -4.890
  418   HE21  GLN  53          1HE2      GLN  53  -1.883  -9.612  -3.157
  419   HE22  GLN  53          2HE2      GLN  53  -2.351 -10.738  -1.931
  420    H    THR  54           H        THR  54  -3.486 -10.875  -9.141
  421    HA   THR  54           HA       THR  54  -3.756  -8.136  -9.883
  422    HB   THR  54           HB       THR  54  -5.859  -9.169 -11.106
  423    HG1  THR  54           1HG      THR  54  -5.423 -11.407 -11.552
  424   HG21  THR  54          3HG2      THR  54  -4.378  -9.790 -12.968
  425   HG22  THR  54          1HG2      THR  54  -2.995  -9.748 -11.873
  426   HG23  THR  54          2HG2      THR  54  -3.891  -8.269 -12.220
  427    H    TRP  55           H        TRP  55  -5.549 -10.243  -7.699
  428    HA   TRP  55           HA       TRP  55  -7.785  -8.564  -7.383
  429    HB2  TRP  55           2HB      TRP  55  -8.304  -9.713  -5.389
  430    HB3  TRP  55           1HB      TRP  55  -7.632 -10.898  -6.490
  431    HD1  TRP  55           HD       TRP  55  -5.316 -11.943  -5.817
  432    HE1  TRP  55           1HE      TRP  55  -4.025 -12.038  -3.653
  433    HE3  TRP  55           3HE      TRP  55  -7.777  -8.371  -3.424
  434    HZ2  TRP  55           2HZ      TRP  55  -4.053 -10.693  -1.149
  435    HZ3  TRP  55           3HZ      TRP  55  -7.138  -7.796  -1.223
  436    HH2  TRP  55           HH       TRP  55  -5.342  -8.910  -0.036
  437    H    VAL  56           H        VAL  56  -4.588  -8.513  -6.093
  438    HA   VAL  56           HA       VAL  56  -5.014  -6.315  -4.333
  439    HB   VAL  56           HB       VAL  56  -2.578  -7.665  -5.443
  440   HG11  VAL  56          1HG1      VAL  56  -2.059  -5.267  -5.435
  441   HG12  VAL  56          2HG1      VAL  56  -1.145  -6.154  -4.216
  442   HG13  VAL  56          3HG1      VAL  56  -2.537  -5.181  -3.737
  443   HG21  VAL  56          3HG2      VAL  56  -2.160  -8.062  -3.063
  444   HG22  VAL  56          1HG2      VAL  56  -3.718  -8.694  -3.586
  445   HG23  VAL  56          2HG2      VAL  56  -3.640  -7.187  -2.672
  446    H    LYS  57           H        LYS  57  -3.617  -6.642  -7.588
  447    HA   LYS  57           HA       LYS  57  -3.005  -3.981  -8.082
  448    HB2  LYS  57           2HB      LYS  57  -4.039  -6.025 -10.058
  449    HB3  LYS  57           1HB      LYS  57  -3.225  -4.526 -10.481
  450    HG2  LYS  57           2HG      LYS  57  -1.190  -5.313  -9.366
  451    HG3  LYS  57           1HG      LYS  57  -2.012  -6.816  -8.941
  452    HD2  LYS  57           2HD      LYS  57  -2.397  -7.212 -11.375
  453    HD3  LYS  57           1HD      LYS  57  -1.393  -5.801 -11.710
  454    HE2  LYS  57           2HE      LYS  57  -0.488  -8.241 -10.186
  455    HE3  LYS  57           1HE      LYS  57  -0.184  -7.961 -11.901
  456    HZ1  LYS  57           3HZ      LYS  57   0.839  -6.364  -9.614
  457    HZ2  LYS  57           1HZ      LYS  57   0.998  -5.897 -11.240
  458    HZ3  LYS  57           2HZ      LYS  57   1.736  -7.319 -10.694
  459    H    TYR  58           H        TYR  58  -6.081  -5.665  -8.342
  460    HA   TYR  58           HA       TYR  58  -7.535  -3.552  -9.490
  461    HB2  TYR  58           2HB      TYR  58  -8.550  -5.670  -9.621
  462    HB3  TYR  58           1HB      TYR  58  -8.296  -5.994  -7.909
  463    HD1  TYR  58           1HD      TYR  58  -9.913  -3.182  -9.788
  464    HD2  TYR  58           2HD      TYR  58 -10.287  -6.198  -6.808
  465    HE1  TYR  58           1HE      TYR  58 -12.169  -2.375  -9.257
  466    HE2  TYR  58           2HE      TYR  58 -12.542  -5.407  -6.283
  467    HH   TYR  58           HH       TYR  58 -14.243  -3.235  -8.259
  468    H    ILE  59           H        ILE  59  -7.331  -4.668  -6.095
  469    HA   ILE  59           HA       ILE  59  -8.977  -2.639  -5.070
  470    HB   ILE  59           HB       ILE  59  -6.882  -4.246  -3.607
  471   HG12  ILE  59          2HG1      ILE  59  -9.869  -4.674  -3.873
  472   HG13  ILE  59          1HG1      ILE  59  -8.638  -5.582  -4.731
  473   HG21  ILE  59          1HG2      ILE  59  -9.228  -2.661  -2.565
  474   HG22  ILE  59          2HG2      ILE  59  -7.526  -2.244  -2.368
  475   HG23  ILE  59          3HG2      ILE  59  -8.175  -3.694  -1.599
  476   HD11  ILE  59          3HD1      ILE  59  -8.917  -5.514  -1.749
  477   HD12  ILE  59          1HD1      ILE  59  -7.808  -6.510  -2.691
  478   HD13  ILE  59          2HD1      ILE  59  -9.547  -6.781  -2.804
  479    H    VAL  60           H        VAL  60  -5.433  -2.866  -5.333
  480    HA   VAL  60           HA       VAL  60  -4.884  -0.494  -3.909
  481    HB   VAL  60           HB       VAL  60  -3.140  -2.162  -4.338
  482   HG11  VAL  60          1HG1      VAL  60  -2.011  -2.245  -6.530
  483   HG12  VAL  60          2HG1      VAL  60  -3.264  -1.199  -7.198
  484   HG13  VAL  60          3HG1      VAL  60  -3.681  -2.809  -6.610
  485   HG21  VAL  60          3HG2      VAL  60  -1.313  -0.628  -4.840
  486   HG22  VAL  60          1HG2      VAL  60  -2.498   0.119  -3.768
  487   HG23  VAL  60          2HG2      VAL  60  -2.464   0.548  -5.480
  488    H    ARG  61           H        ARG  61  -5.680  -1.034  -7.313
  489    HA   ARG  61           HA       ARG  61  -5.029   1.560  -8.211
  490    HB2  ARG  61           2HB      ARG  61  -5.473  -0.264  -9.780
  491    HB3  ARG  61           1HB      ARG  61  -7.148  -0.334  -9.244
  492    HG2  ARG  61           2HG      ARG  61  -7.612   1.813 -10.175
  493    HG3  ARG  61           1HG      ARG  61  -5.901   2.094 -10.502
  494    HD2  ARG  61           2HD      ARG  61  -7.610  -0.040 -11.772
  495    HD3  ARG  61           1HD      ARG  61  -7.122   1.474 -12.531
  496    HE   ARG  61           HE       ARG  61  -4.749   0.447 -11.898
  497   HH11  ARG  61          1HH1      ARG  61  -7.526  -1.008 -13.460
  498   HH12  ARG  61          2HH1      ARG  61  -6.584  -2.171 -14.347
  499   HH21  ARG  61          1HH2      ARG  61  -3.502  -1.044 -13.066
  500   HH22  ARG  61          2HH2      ARG  61  -4.278  -2.180 -14.123
  501    H    LEU  62           H        LEU  62  -7.976   0.202  -6.817
  502    HA   LEU  62           HA       LEU  62  -9.378   2.720  -6.999
  503    HB2  LEU  62           2HB      LEU  62 -10.076   0.110  -5.667
  504    HB3  LEU  62           1HB      LEU  62 -11.112   1.524  -5.618
  505    HG   LEU  62           HG       LEU  62 -10.344  -0.093  -8.043
  506   HD11  LEU  62          1HD1      LEU  62 -12.980   0.461  -6.697
  507   HD12  LEU  62          2HD1      LEU  62 -12.105  -1.070  -6.707
  508   HD13  LEU  62          3HD1      LEU  62 -12.775  -0.427  -8.207
  509   HD21  LEU  62          3HD2      LEU  62 -11.718   1.467  -9.344
  510   HD22  LEU  62          1HD2      LEU  62 -10.309   2.267  -8.645
  511   HD23  LEU  62          2HD2      LEU  62 -11.902   2.490  -7.919
  512    H    LEU  63           H        LEU  63  -6.900   1.845  -5.145
  513    HA   LEU  63           HA       LEU  63  -7.876   3.322  -2.795
  514    HB2  LEU  63           2HB      LEU  63  -5.894   1.080  -3.005
  515    HB3  LEU  63           1HB      LEU  63  -5.956   2.134  -1.601
  516    HG   LEU  63           HG       LEU  63  -8.234   0.407  -2.609
  517   HD11  LEU  63          1HD1      LEU  63  -7.874  -0.866  -0.543
  518   HD12  LEU  63          2HD1      LEU  63  -6.452   0.118  -0.200
  519   HD13  LEU  63          3HD1      LEU  63  -6.475  -0.930  -1.617
  520   HD21  LEU  63          3HD2      LEU  63  -9.386   1.073  -0.566
  521   HD22  LEU  63          1HD2      LEU  63  -9.012   2.481  -1.556
  522   HD23  LEU  63          2HD2      LEU  63  -8.038   2.121  -0.133
  523    H    SER  64           H        SER  64  -5.691   3.320  -5.387
  524    HA   SER  64           HA       SER  64  -4.053   5.393  -4.099
  525    HB2  SER  64           2HB      SER  64  -2.837   3.414  -5.027
  526    HB3  SER  64           1HB      SER  64  -3.451   3.826  -6.627
  527    HG   SER  64           HG       SER  64  -1.806   5.475  -4.995
  528    H    LYS  65           H        LYS  65  -5.267   4.654  -7.389
  529    HA   LYS  65           HA       LYS  65  -5.645   7.540  -7.770
  530    HB2  LYS  65           2HB      LYS  65  -5.571   5.334  -9.838
  531    HB3  LYS  65           1HB      LYS  65  -5.809   7.039 -10.184
  532    HG2  LYS  65           2HG      LYS  65  -3.606   7.065 -10.526
  533    HG3  LYS  65           1HG      LYS  65  -3.491   7.093  -8.765
  534    HD2  LYS  65           2HD      LYS  65  -2.042   5.365  -9.559
  535    HD3  LYS  65           1HD      LYS  65  -3.440   4.592  -8.806
  536    HE2  LYS  65           2HE      LYS  65  -2.899   3.462 -10.877
  537    HE3  LYS  65           1HE      LYS  65  -4.444   4.295 -11.035
  538    HZ1  LYS  65           3HZ      LYS  65  -3.366   6.058 -12.249
  539    HZ2  LYS  65           1HZ      LYS  65  -3.004   4.578 -12.987
  540    HZ3  LYS  65           2HZ      LYS  65  -1.845   5.348 -12.023
  541    H    LYS  66           H        LYS  66  -7.524   7.486  -6.442
  542    HA   LYS  66           HA       LYS  66  -9.866   6.397  -7.832
  543    HB2  LYS  66           2HB      LYS  66 -10.964   6.157  -5.649
  544    HB3  LYS  66           1HB      LYS  66  -9.495   5.197  -5.729
  545    HG2  LYS  66           2HG      LYS  66  -8.331   7.070  -4.517
  546    HG3  LYS  66           1HG      LYS  66  -9.923   7.791  -4.267
  547    HD2  LYS  66           2HD      LYS  66  -9.024   5.065  -3.329
  548    HD3  LYS  66           1HD      LYS  66  -9.279   6.493  -2.320
  549    HE2  LYS  66           2HE      LYS  66 -11.606   6.464  -2.699
  550    HE3  LYS  66           1HE      LYS  66 -11.452   5.308  -4.020
  551    HZ1  LYS  66           3HZ      LYS  66 -12.268   4.229  -2.041
  552    HZ2  LYS  66           1HZ      LYS  66 -10.919   4.755  -1.152
  553    HZ3  LYS  66           2HZ      LYS  66 -10.728   3.644  -2.422
  554    H    VAL  67           H        VAL  67 -11.637   7.695  -7.982
  555    HA   VAL  67           HA       VAL  67 -11.022  10.543  -7.746
  556    HB   VAL  67           HB       VAL  67 -13.278   9.257  -9.287
  557   HG11  VAL  67          1HG1      VAL  67 -12.023  11.990  -9.460
  558   HG12  VAL  67          2HG1      VAL  67 -13.614  11.611  -8.800
  559   HG13  VAL  67          3HG1      VAL  67 -13.292  11.374 -10.519
  560   HG21  VAL  67          3HG2      VAL  67 -11.897   9.454 -11.273
  561   HG22  VAL  67          1HG2      VAL  67 -11.110   8.422 -10.076
  562   HG23  VAL  67          2HG2      VAL  67 -10.565  10.085 -10.304
  563    H    LYS  68           H        LYS  68 -11.666  11.281  -5.797
  564    HA   LYS  68           HA       LYS  68 -14.332  10.540  -4.848
  565    HB2  LYS  68           2HB      LYS  68 -12.593  10.329  -3.177
  566    HB3  LYS  68           1HB      LYS  68 -12.079  11.987  -3.451
  567    HG2  LYS  68           2HG      LYS  68 -13.368  11.802  -1.400
  568    HG3  LYS  68           1HG      LYS  68 -14.209  12.802  -2.585
  569    HD2  LYS  68           2HD      LYS  68 -15.633  10.892  -3.178
  570    HD3  LYS  68           1HD      LYS  68 -14.788   9.898  -1.991
  571    HE2  LYS  68           2HE      LYS  68 -16.811  10.614  -0.980
  572    HE3  LYS  68           1HE      LYS  68 -15.507  11.542  -0.243
  573    HZ1  LYS  68           3HZ      LYS  68 -17.469  12.466  -2.271
  574    HZ2  LYS  68           1HZ      LYS  68 -16.082  13.353  -1.853
  575    HZ3  LYS  68           2HZ      LYS  68 -17.263  13.031  -0.692
  576    H    ASN  69           H        ASN  69 -15.763  11.739  -5.935
  577    HA   ASN  69           HA       ASN  69 -15.449  14.658  -5.742
  578    HB2  ASN  69           2HB      ASN  69 -17.166  13.055  -7.657
  579    HB3  ASN  69           1HB      ASN  69 -17.122  14.810  -7.570
  580   HD21  ASN  69          1HD2      ASN  69 -16.481  12.953  -9.754
  581   HD22  ASN  69          2HD2      ASN  69 -14.866  13.352 -10.244
  582    H    MET  70           H        MET  70 -18.334  12.709  -6.289
  583    HA   MET  70           HA       MET  70 -19.574  13.909  -3.930
  584    HB2  MET  70           2HB      MET  70 -20.833  14.041  -6.032
  585    HB3  MET  70           1HB      MET  70 -20.761  12.294  -6.196
  586    HG2  MET  70           2HG      MET  70 -22.134  12.021  -4.221
  587    HG3  MET  70           1HG      MET  70 -22.155  13.764  -3.973
  588    HE1  MET  70           3HE      MET  70 -24.793  13.649  -3.799
  589    HE2  MET  70           1HE      MET  70 -24.802  11.914  -4.120
  590    HE3  MET  70           2HE      MET  70 -25.839  12.990  -5.054
  Start of MODEL    5
    1    H1   ALA   1           1HT      ALA   1  16.559   9.103   5.979
    2    H2   ALA   1           2HT      ALA   1  16.676   9.159   4.289
    3    H3   ALA   1           3HT      ALA   1  18.062   9.378   5.242
    4    HA   ALA   1           HA       ALA   1  18.079   7.187   4.313
    5    HB1  ALA   1           1HB      ALA   1  18.995   7.519   6.570
    6    HB2  ALA   1           2HB      ALA   1  18.322   5.904   6.365
    7    HB3  ALA   1           3HB      ALA   1  17.419   7.127   7.259
    8    H    SER   2           H        SER   2  16.975   4.925   5.461
    9    HA   SER   2           HA       SER   2  14.682   4.467   3.966
   10    HB2  SER   2           2HB      SER   2  15.488   3.025   6.503
   11    HB3  SER   2           1HB      SER   2  14.522   2.383   5.170
   12    HG   SER   2           HG       SER   2  16.816   1.789   5.180
   13    H    ASN   3           H        ASN   3  12.584   4.968   4.247
   14    HA   ASN   3           HA       ASN   3  11.733   6.309   6.658
   15    HB2  ASN   3           2HB      ASN   3  10.313   5.595   4.089
   16    HB3  ASN   3           1HB      ASN   3   9.470   6.321   5.455
   17   HD21  ASN   3          1HD2      ASN   3  10.010   8.443   6.086
   18   HD22  ASN   3          2HD2      ASN   3  10.811   9.526   4.992
   19    H    PHE   4           H        PHE   4  10.767   3.371   4.934
   20    HA   PHE   4           HA       PHE   4   9.892   2.238   7.499
   21    HB2  PHE   4           2HB      PHE   4   8.039   1.096   6.236
   22    HB3  PHE   4           1HB      PHE   4   7.856   2.829   6.393
   23    HD1  PHE   4           1HD      PHE   4   9.701   0.656   3.987
   24    HD2  PHE   4           2HD      PHE   4   6.784   3.702   4.549
   25    HE1  PHE   4           1HE      PHE   4   9.405   0.808   1.561
   26    HE2  PHE   4           2HE      PHE   4   6.477   3.853   2.111
   27    HZ   PHE   4           HZ       PHE   4   7.787   2.392   0.618
   28    H    ASP   5           H        ASP   5   9.245  -0.241   6.824
   29    HA   ASP   5           HA       ASP   5  11.217  -1.271   4.953
   30    HB2  ASP   5           2HB      ASP   5  11.750  -3.144   6.555
   31    HB3  ASP   5           1HB      ASP   5  12.390  -1.561   6.985
   32    H    CYS   6           H        CYS   6  10.020  -2.107   3.487
   33    HA   CYS   6           HA       CYS   6   7.569  -3.099   3.319
   34    HB2  CYS   6           2HB      CYS   6   8.340  -4.373   1.431
   35    HB3  CYS   6           1HB      CYS   6   9.283  -2.905   1.503
   36    H    CYS   7           H        CYS   7   6.530  -5.084   3.580
   37    HA   CYS   7           HA       CYS   7   7.164  -6.574   5.869
   38    HB2  CYS   7           2HB      CYS   7   5.423  -7.513   3.582
   39    HB3  CYS   7           1HB      CYS   7   5.330  -8.000   5.269
   40    H    LEU   8           H        LEU   8   8.363  -8.371   6.194
   41    HA   LEU   8           HA       LEU   8   9.820  -9.487   3.938
   42    HB2  LEU   8           2HB      LEU   8   9.928 -10.134   6.889
   43    HB3  LEU   8           1HB      LEU   8  10.971 -10.841   5.667
   44    HG   LEU   8           HG       LEU   8  10.868  -7.922   6.424
   45   HD11  LEU   8          1HD1      LEU   8  11.903  -9.308   8.131
   46   HD12  LEU   8          2HD1      LEU   8  13.122  -8.344   7.298
   47   HD13  LEU   8          3HD1      LEU   8  12.940 -10.054   6.917
   48   HD21  LEU   8          3HD2      LEU   8  12.786  -7.682   4.927
   49   HD22  LEU   8          1HD2      LEU   8  11.366  -8.247   4.046
   50   HD23  LEU   8          2HD2      LEU   8  12.650  -9.379   4.467
   51    H    GLY   9           H        GLY   9   6.853  -9.846   4.957
   52    HA2  GLY   9           2HA      GLY   9   6.592 -12.468   3.766
   53    HA3  GLY   9           1HA      GLY   9   6.070 -12.359   5.442
   54    H    TYR  10           H        TYR  10   5.007 -12.270   2.381
   55    HA   TYR  10           HA       TYR  10   2.775 -10.529   3.111
   56    HB2  TYR  10           2HB      TYR  10   2.458 -10.013   0.698
   57    HB3  TYR  10           1HB      TYR  10   3.930  -9.364   1.396
   58    HD1  TYR  10           2HD      TYR  10   4.559 -12.736   0.939
   59    HD2  TYR  10           1HD      TYR  10   4.050  -9.146  -1.288
   60    HE1  TYR  10           2HE      TYR  10   5.837 -13.719  -0.933
   61    HE2  TYR  10           1HE      TYR  10   5.325 -10.114  -3.154
   62    HH   TYR  10           HH       TYR  10   6.327 -13.479  -3.159
   63    H    THR  11           H        THR  11   0.745 -11.027   1.885
   64    HA   THR  11           HA       THR  11   0.043 -13.608   2.871
   65    HB   THR  11           HB       THR  11  -1.339 -11.559   3.132
   66    HG1  THR  11           1HG      THR  11  -2.269 -13.752   3.236
   67   HG21  THR  11          3HG2      THR  11  -1.943 -11.966   0.204
   68   HG22  THR  11          1HG2      THR  11  -1.058 -10.612   0.908
   69   HG23  THR  11          2HG2      THR  11  -2.769 -10.834   1.273
   70    H    ASP  12           H        ASP  12  -1.959 -14.577   1.388
   71    HA   ASP  12           HA       ASP  12  -1.080 -15.035  -1.361
   72    HB2  ASP  12           2HB      ASP  12  -0.976 -17.414  -1.145
   73    HB3  ASP  12           1HB      ASP  12   0.001 -16.770   0.171
   74    H    ARG  13           H        ARG  13  -3.379 -13.908   0.342
   75    HA   ARG  13           HA       ARG  13  -5.569 -15.764  -0.123
   76    HB2  ARG  13           2HB      ARG  13  -5.544 -13.029   1.159
   77    HB3  ARG  13           1HB      ARG  13  -6.912 -14.129   1.131
   78    HG2  ARG  13           2HG      ARG  13  -4.273 -14.704   2.476
   79    HG3  ARG  13           1HG      ARG  13  -5.722 -14.116   3.293
   80    HD2  ARG  13           2HD      ARG  13  -5.764 -16.415   3.665
   81    HD3  ARG  13           1HD      ARG  13  -6.878 -16.186   2.322
   82    HE   ARG  13           HE       ARG  13  -4.090 -16.964   1.788
   83   HH11  ARG  13          1HH1      ARG  13  -7.529 -17.686   1.680
   84   HH12  ARG  13          2HH1      ARG  13  -7.323 -19.114   0.717
   85   HH21  ARG  13          1HH2      ARG  13  -3.811 -18.850   0.547
   86   HH22  ARG  13          2HH2      ARG  13  -5.201 -19.785   0.078
   87    H    ILE  14           H        ILE  14  -7.613 -14.962  -0.981
   88    HA   ILE  14           HA       ILE  14  -7.376 -12.726  -2.865
   89    HB   ILE  14           HB       ILE  14  -9.466 -14.891  -2.607
   90   HG12  ILE  14          2HG1      ILE  14  -7.232 -15.290  -3.828
   91   HG13  ILE  14          1HG1      ILE  14  -8.720 -15.704  -4.673
   92   HG21  ILE  14          1HG2      ILE  14  -9.477 -12.545  -4.494
   93   HG22  ILE  14          2HG2      ILE  14 -10.555 -12.750  -3.114
   94   HG23  ILE  14          3HG2      ILE  14 -10.645 -13.868  -4.477
   95   HD11  ILE  14          3HD1      ILE  14  -7.123 -13.189  -5.046
   96   HD12  ILE  14          1HD1      ILE  14  -8.622 -13.601  -5.885
   97   HD13  ILE  14          2HD1      ILE  14  -7.167 -14.574  -6.139
   98    H    LEU  15           H        LEU  15  -7.358 -11.151  -1.228
   99    HA   LEU  15           HA       LEU  15  -9.656 -10.994   0.569
  100    HB2  LEU  15           2HB      LEU  15  -7.232  -9.202   0.359
  101    HB3  LEU  15           1HB      LEU  15  -8.445  -9.156   1.627
  102    HG   LEU  15           HG       LEU  15  -7.307 -11.797   1.404
  103   HD11  LEU  15          1HD1      LEU  15  -5.346 -10.659   0.541
  104   HD12  LEU  15          2HD1      LEU  15  -5.050 -11.244   2.182
  105   HD13  LEU  15          3HD1      LEU  15  -5.378  -9.532   1.902
  106   HD21  LEU  15          3HD2      LEU  15  -6.976 -11.493   3.775
  107   HD22  LEU  15          1HD2      LEU  15  -8.565 -10.888   3.310
  108   HD23  LEU  15          2HD2      LEU  15  -7.246  -9.758   3.619
  109    H    HIS  16           H        HIS  16 -10.744  -8.809   0.744
  110    HA   HIS  16           HA       HIS  16 -10.945  -7.624  -1.946
  111    HB2  HIS  16           2HB      HIS  16 -13.271  -8.483  -0.228
  112    HB3  HIS  16           1HB      HIS  16 -13.390  -7.622  -1.753
  113    HD1  HIS  16           1HD      HIS  16 -14.881 -10.068  -1.627
  114    HD2  HIS  16           2HD      HIS  16 -10.868 -10.089  -2.681
  115    HE1  HIS  16           1HE      HIS  16 -14.535 -12.181  -2.835
  116    HE2  HIS  16           2HE      HIS  16 -12.083 -12.298  -3.316
  117    HA   PRO  17           HA       PRO  17 -11.806  -3.629   0.035
  118    HB2  PRO  17           2HB      PRO  17 -14.396  -3.651  -1.421
  119    HB3  PRO  17           1HB      PRO  17 -13.127  -2.422  -1.409
  120    HG2  PRO  17           2HG      PRO  17 -13.529  -4.035  -3.524
  121    HG3  PRO  17           1HG      PRO  17 -11.916  -3.466  -3.063
  122    HD2  PRO  17           2HD      PRO  17 -13.152  -6.161  -2.707
  123    HD3  PRO  17           1HD      PRO  17 -11.452  -5.710  -2.973
  124    H    LYS  18           H        LYS  18 -14.063  -6.242  -0.248
  125    HA   LYS  18           HA       LYS  18 -16.000  -5.919   1.614
  126    HB2  LYS  18           2HB      LYS  18 -14.282  -8.310   0.974
  127    HB3  LYS  18           1HB      LYS  18 -15.622  -8.442   2.084
  128    HG2  LYS  18           2HG      LYS  18 -17.098  -7.604   0.222
  129    HG3  LYS  18           1HG      LYS  18 -15.708  -7.807  -0.843
  130    HD2  LYS  18           2HD      LYS  18 -15.575 -10.162  -0.268
  131    HD3  LYS  18           1HD      LYS  18 -16.900  -9.979   0.879
  132    HE2  LYS  18           2HE      LYS  18 -17.066  -9.571  -2.098
  133    HE3  LYS  18           1HE      LYS  18 -17.653 -10.976  -1.217
  134    HZ1  LYS  18           3HZ      LYS  18 -19.531  -9.676  -1.526
  135    HZ2  LYS  18           1HZ      LYS  18 -18.714  -8.222  -1.197
  136    HZ3  LYS  18           2HZ      LYS  18 -19.063  -9.298   0.064
  137    H    PHE  19           H        PHE  19 -12.562  -6.368   2.283
  138    HA   PHE  19           HA       PHE  19 -13.177  -6.193   5.165
  139    HB2  PHE  19           2HB      PHE  19 -10.945  -7.826   3.942
  140    HB3  PHE  19           1HB      PHE  19 -11.339  -7.711   5.650
  141    HD1  PHE  19           2HD      PHE  19 -12.359  -9.102   2.416
  142    HD2  PHE  19           1HD      PHE  19 -13.176  -8.927   6.588
  143    HE1  PHE  19           2HE      PHE  19 -13.862 -11.037   2.192
  144    HE2  PHE  19           1HE      PHE  19 -14.675 -10.869   6.379
  145    HZ   PHE  19           HZ       PHE  19 -15.019 -11.926   4.183
  146    H    ILE  20           H        ILE  20 -11.792  -4.635   2.632
  147    HA   ILE  20           HA       ILE  20  -9.402  -3.727   4.052
  148    HB   ILE  20           HB       ILE  20 -10.279  -3.656   1.199
  149   HG12  ILE  20          2HG1      ILE  20  -8.075  -4.418   0.734
  150   HG13  ILE  20          1HG1      ILE  20  -7.483  -3.936   2.312
  151   HG21  ILE  20          1HG2      ILE  20  -8.371  -1.627   2.349
  152   HG22  ILE  20          2HG2      ILE  20  -9.934  -1.303   1.600
  153   HG23  ILE  20          3HG2      ILE  20  -8.607  -1.939   0.628
  154   HD11  ILE  20          3HD1      ILE  20  -8.878  -5.702   3.327
  155   HD12  ILE  20          1HD1      ILE  20  -7.667  -6.325   2.201
  156   HD13  ILE  20          2HD1      ILE  20  -9.355  -6.204   1.706
  157    H    VAL  21           H        VAL  21  -9.512  -1.987   5.291
  158    HA   VAL  21           HA       VAL  21 -11.454   0.113   4.584
  159    HB   VAL  21           HB       VAL  21 -11.319   0.858   6.945
  160   HG11  VAL  21          1HG1      VAL  21 -13.123  -0.616   6.173
  161   HG12  VAL  21          2HG1      VAL  21 -12.716  -0.891   7.866
  162   HG13  VAL  21          3HG1      VAL  21 -12.158  -2.019   6.630
  163   HG21  VAL  21          3HG2      VAL  21  -9.137  -0.055   7.532
  164   HG22  VAL  21          1HG2      VAL  21  -9.770  -1.695   7.370
  165   HG23  VAL  21          2HG2      VAL  21 -10.382  -0.635   8.638
  166    H    GLY  22           H        GLY  22  -8.240  -0.659   4.523
  167    HA2  GLY  22           2HA      GLY  22  -7.549   2.077   3.908
  168    HA3  GLY  22           1HA      GLY  22  -6.728   1.423   5.320
  169    H    PHE  23           H        PHE  23  -5.443   2.263   2.929
  170    HA   PHE  23           HA       PHE  23  -4.040  -0.210   2.227
  171    HB2  PHE  23           2HB      PHE  23  -5.343  -0.277   0.372
  172    HB3  PHE  23           1HB      PHE  23  -5.709   1.444   0.431
  173    HD1  PHE  23           1HD      PHE  23  -3.142  -1.027  -0.496
  174    HD2  PHE  23           2HD      PHE  23  -4.517   2.976  -0.773
  175    HE1  PHE  23           1HE      PHE  23  -1.480  -0.583  -2.240
  176    HE2  PHE  23           2HE      PHE  23  -2.857   3.428  -2.538
  177    HZ   PHE  23           HZ       PHE  23  -1.348   1.620  -3.238
  178    H    THR  24           H        THR  24  -1.928   0.076   2.020
  179    HA   THR  24           HA       THR  24  -0.829   2.729   1.494
  180    HB   THR  24           HB       THR  24   0.121   1.042   3.820
  181    HG1  THR  24           1HG      THR  24  -1.667   3.220   3.631
  182   HG21  THR  24          3HG2      THR  24   1.878   2.389   2.771
  183   HG22  THR  24          1HG2      THR  24   1.472   3.018   4.369
  184   HG23  THR  24          2HG2      THR  24   0.872   3.832   2.922
  185    H    ARG  25           H        ARG  25   0.306   2.303  -0.334
  186    HA   ARG  25           HA       ARG  25   1.446  -0.286  -0.803
  187    HB2  ARG  25           2HB      ARG  25   2.220   0.593  -2.921
  188    HB3  ARG  25           1HB      ARG  25   0.553   1.082  -2.656
  189    HG2  ARG  25           2HG      ARG  25   1.224   3.318  -2.116
  190    HG3  ARG  25           1HG      ARG  25   2.930   2.861  -2.135
  191    HD2  ARG  25           2HD      ARG  25   2.748   3.776  -4.223
  192    HD3  ARG  25           1HD      ARG  25   2.345   2.101  -4.593
  193    HE   ARG  25           HE       ARG  25   0.154   3.948  -4.008
  194   HH11  ARG  25          1HH1      ARG  25   1.880   1.980  -6.326
  195   HH12  ARG  25          2HH1      ARG  25   0.760   2.281  -7.615
  196   HH21  ARG  25          1HH2      ARG  25  -1.375   4.294  -5.669
  197   HH22  ARG  25          2HH2      ARG  25  -1.116   3.585  -7.234
  198    H    GLN  26           H        GLN  26   3.305  -0.974  -0.017
  199    HA   GLN  26           HA       GLN  26   5.209   1.015   0.996
  200    HB2  GLN  26           2HB      GLN  26   4.226  -0.788   2.498
  201    HB3  GLN  26           1HB      GLN  26   5.161  -1.947   1.571
  202    HG2  GLN  26           2HG      GLN  26   7.197  -1.065   2.319
  203    HG3  GLN  26           1HG      GLN  26   6.424   0.385   2.957
  204   HE21  GLN  26          1HE2      GLN  26   5.101  -2.817   3.378
  205   HE22  GLN  26          2HE2      GLN  26   5.395  -2.924   5.078
  206    H    LEU  27           H        LEU  27   6.714   1.509  -0.456
  207    HA   LEU  27           HA       LEU  27   7.331  -0.293  -2.618
  208    HB2  LEU  27           2HB      LEU  27   8.286   2.495  -1.977
  209    HB3  LEU  27           1HB      LEU  27   8.836   1.591  -3.371
  210    HG   LEU  27           HG       LEU  27   6.357   1.463  -4.041
  211   HD11  LEU  27          1HD1      LEU  27   5.402   2.167  -1.913
  212   HD12  LEU  27          2HD1      LEU  27   4.953   3.282  -3.204
  213   HD13  LEU  27          3HD1      LEU  27   6.214   3.727  -2.056
  214   HD21  LEU  27          3HD2      LEU  27   7.806   4.106  -4.043
  215   HD22  LEU  27          1HD2      LEU  27   6.473   3.663  -5.110
  216   HD23  LEU  27          2HD2      LEU  27   8.009   2.805  -5.215
  217    H    ALA  28           H        ALA  28   9.559  -0.693  -3.298
  218    HA   ALA  28           HA       ALA  28  11.173  -1.704  -1.189
  219    HB1  ALA  28           1HB      ALA  28  11.009  -2.774  -3.408
  220    HB2  ALA  28           2HB      ALA  28  12.676  -2.407  -2.957
  221    HB3  ALA  28           3HB      ALA  28  11.828  -1.382  -4.118
  222    H    ASN  29           H        ASN  29  11.657   0.840  -3.630
  223    HA   ASN  29           HA       ASN  29  14.231   1.502  -2.598
  224    HB2  ASN  29           2HB      ASN  29  14.147   3.339  -4.315
  225    HB3  ASN  29           1HB      ASN  29  13.950   1.707  -4.939
  226   HD21  ASN  29          1HD2      ASN  29  13.111   4.407  -5.920
  227   HD22  ASN  29          2HD2      ASN  29  11.417   4.237  -6.250
  228    H    GLU  30           H        GLU  30  11.673   2.054  -0.927
  229    HA   GLU  30           HA       GLU  30  12.499   4.786  -0.223
  230    HB2  GLU  30           2HB      GLU  30   9.820   3.462   0.207
  231    HB3  GLU  30           1HB      GLU  30  10.273   4.999   0.929
  232    HG2  GLU  30           2HG      GLU  30  10.801   5.597  -1.599
  233    HG3  GLU  30           1HG      GLU  30   9.602   4.336  -1.879
  234    H    GLY  31           H        GLY  31  13.602   2.102   0.548
  235    HA2  GLY  31           2HA      GLY  31  14.868   2.472   2.739
  236    HA3  GLY  31           1HA      GLY  31  13.270   2.397   3.460
  237    H    CYS  32           H        CYS  32  12.853   0.272   1.151
  238    HA   CYS  32           HA       CYS  32  13.974  -1.914   2.742
  239    HB2  CYS  32           2HB      CYS  32  11.435  -1.427   2.738
  240    HB3  CYS  32           1HB      CYS  32  11.472  -2.264   1.189
  241    H    ASP  33           H        ASP  33  12.873  -3.889   0.865
  242    HA   ASP  33           HA       ASP  33  14.684  -3.461  -1.413
  243    HB2  ASP  33           2HB      ASP  33  15.760  -4.877   0.326
  244    HB3  ASP  33           1HB      ASP  33  14.432  -6.024   0.190
  245    H    ILE  34           H        ILE  34  11.750  -4.893  -0.184
  246    HA   ILE  34           HA       ILE  34  11.033  -5.593  -2.955
  247    HB   ILE  34           HB       ILE  34   9.796  -7.431  -2.282
  248   HG12  ILE  34          2HG1      ILE  34   9.806  -6.465   0.587
  249   HG13  ILE  34          1HG1      ILE  34   8.497  -6.156  -0.545
  250   HG21  ILE  34          1HG2      ILE  34  12.152  -7.869  -1.878
  251   HG22  ILE  34          2HG2      ILE  34  11.159  -8.730  -0.700
  252   HG23  ILE  34          3HG2      ILE  34  11.999  -7.249  -0.231
  253   HD11  ILE  34          3HD1      ILE  34   7.998  -8.020   0.936
  254   HD12  ILE  34          1HD1      ILE  34   9.432  -8.869   0.360
  255   HD13  ILE  34          2HD1      ILE  34   8.094  -8.546  -0.746
  256    H    ASN  35           H        ASN  35   8.607  -5.492  -3.317
  257    HA   ASN  35           HA       ASN  35   7.511  -3.123  -1.966
  258    HB2  ASN  35           2HB      ASN  35   6.674  -4.455  -4.558
  259    HB3  ASN  35           1HB      ASN  35   5.908  -3.035  -3.860
  260   HD21  ASN  35          1HD2      ASN  35   6.852  -1.075  -4.065
  261   HD22  ASN  35          2HD2      ASN  35   8.236  -0.794  -5.060
  262    H    ALA  36           H        ALA  36   5.801  -3.303  -0.658
  263    HA   ALA  36           HA       ALA  36   4.202  -5.773  -0.742
  264    HB1  ALA  36           1HB      ALA  36   5.138  -4.377   1.765
  265    HB2  ALA  36           2HB      ALA  36   5.737  -5.920   1.157
  266    HB3  ALA  36           3HB      ALA  36   4.066  -5.776   1.699
  267    H    ILE  37           H        ILE  37   2.089  -5.385  -0.929
  268    HA   ILE  37           HA       ILE  37   1.145  -2.640  -0.763
  269    HB   ILE  37           HB       ILE  37  -0.328  -5.134  -1.629
  270   HG12  ILE  37          2HG1      ILE  37   1.578  -4.690  -3.090
  271   HG13  ILE  37          1HG1      ILE  37   0.070  -4.337  -3.929
  272   HG21  ILE  37          1HG2      ILE  37  -1.851  -3.390  -0.927
  273   HG22  ILE  37          2HG2      ILE  37  -1.902  -3.567  -2.682
  274   HG23  ILE  37          3HG2      ILE  37  -1.023  -2.224  -1.956
  275   HD11  ILE  37          3HD1      ILE  37   1.907  -2.313  -2.669
  276   HD12  ILE  37          1HD1      ILE  37   0.406  -1.961  -3.525
  277   HD13  ILE  37          2HD1      ILE  37   1.770  -2.666  -4.393
  278    H    ILE  38           H        ILE  38   0.829  -2.092   1.369
  279    HA   ILE  38           HA       ILE  38  -0.205  -3.978   3.268
  280    HB   ILE  38           HB       ILE  38   0.120  -0.989   3.577
  281   HG12  ILE  38          2HG1      ILE  38   1.966  -3.209   4.468
  282   HG13  ILE  38          1HG1      ILE  38   2.238  -2.207   3.046
  283   HG21  ILE  38          1HG2      ILE  38  -0.239  -3.175   5.624
  284   HG22  ILE  38          2HG2      ILE  38  -1.419  -1.934   5.199
  285   HG23  ILE  38          3HG2      ILE  38   0.094  -1.481   5.986
  286   HD11  ILE  38          3HD1      ILE  38   2.098  -1.235   5.892
  287   HD12  ILE  38          1HD1      ILE  38   2.382  -0.231   4.468
  288   HD13  ILE  38          2HD1      ILE  38   3.563  -1.455   4.933
  289    H    PHE  39           H        PHE  39  -2.276  -4.623   2.946
  290    HA   PHE  39           HA       PHE  39  -4.315  -2.532   2.652
  291    HB2  PHE  39           2HB      PHE  39  -4.475  -5.540   2.436
  292    HB3  PHE  39           1HB      PHE  39  -5.908  -4.524   2.531
  293    HD1  PHE  39           2HD      PHE  39  -5.062  -2.237   0.804
  294    HD2  PHE  39           1HD      PHE  39  -4.589  -6.440   0.326
  295    HE1  PHE  39           2HE      PHE  39  -4.984  -1.937  -1.653
  296    HE2  PHE  39           1HE      PHE  39  -4.505  -6.170  -2.104
  297    HZ   PHE  39           HZ       PHE  39  -4.688  -3.925  -3.100
  298    H    HIS  40           H        HIS  40  -5.154  -1.724   4.410
  299    HA   HIS  40           HA       HIS  40  -4.700  -3.056   6.958
  300    HB2  HIS  40           2HB      HIS  40  -6.066  -0.395   6.490
  301    HB3  HIS  40           1HB      HIS  40  -5.373  -0.986   7.994
  302    HD1  HIS  40           1HD      HIS  40  -3.080  -0.077   8.494
  303    HD2  HIS  40           2HD      HIS  40  -3.965  -0.034   4.429
  304    HE1  HIS  40           1HE      HIS  40  -1.134   1.072   7.363
  305    HE2  HIS  40           2HE      HIS  40  -1.844   1.338   4.978
  306    H    THR  41           H        THR  41  -6.119  -4.593   7.440
  307    HA   THR  41           HA       THR  41  -8.742  -4.646   6.303
  308    HB   THR  41           HB       THR  41  -9.056  -6.672   7.714
  309    HG1  THR  41           1HG      THR  41  -6.314  -6.444   8.405
  310   HG21  THR  41          3HG2      THR  41  -7.403  -8.057   6.543
  311   HG22  THR  41          1HG2      THR  41  -6.503  -6.605   6.098
  312   HG23  THR  41          2HG2      THR  41  -8.125  -6.869   5.461
  313    H    LYS  42           H        LYS  42 -10.693  -4.888   7.594
  314    HA   LYS  42           HA       LYS  42 -10.913  -2.906   9.649
  315    HB2  LYS  42           2HB      LYS  42 -12.725  -3.668   7.977
  316    HB3  LYS  42           1HB      LYS  42 -12.961  -5.038   9.053
  317    HG2  LYS  42           2HG      LYS  42 -13.616  -3.619  10.850
  318    HG3  LYS  42           1HG      LYS  42 -13.158  -2.175   9.947
  319    HD2  LYS  42           2HD      LYS  42 -14.902  -2.657   8.303
  320    HD3  LYS  42           1HD      LYS  42 -15.372  -4.088   9.220
  321    HE2  LYS  42           2HE      LYS  42 -16.858  -2.226   9.713
  322    HE3  LYS  42           1HE      LYS  42 -15.932  -2.686  11.136
  323    HZ1  LYS  42           3HZ      LYS  42 -15.251  -0.412   9.348
  324    HZ2  LYS  42           1HZ      LYS  42 -14.487  -0.815  10.810
  325    HZ3  LYS  42           2HZ      LYS  42 -16.094  -0.262  10.808
  326    H    LYS  43           H        LYS  43  -9.482  -5.752   9.649
  327    HA   LYS  43           HA       LYS  43 -10.331  -6.738  12.219
  328    HB2  LYS  43           2HB      LYS  43  -9.676  -8.281  10.399
  329    HB3  LYS  43           1HB      LYS  43  -8.061  -7.589  10.409
  330    HG2  LYS  43           2HG      LYS  43  -7.836  -9.561  11.598
  331    HG3  LYS  43           1HG      LYS  43  -7.968  -8.333  12.856
  332    HD2  LYS  43           2HD      LYS  43  -9.353 -10.132  13.527
  333    HD3  LYS  43           1HD      LYS  43 -10.431  -8.858  12.948
  334    HE2  LYS  43           2HE      LYS  43 -10.752  -9.988  10.861
  335    HE3  LYS  43           1HE      LYS  43  -9.512 -11.179  11.252
  336    HZ1  LYS  43           3HZ      LYS  43 -10.937 -11.854  13.158
  337    HZ2  LYS  43           1HZ      LYS  43 -11.624 -12.167  11.640
  338    HZ3  LYS  43           2HZ      LYS  43 -12.158 -10.849  12.556
  339    H    LYS  44           H        LYS  44  -8.570  -4.210  11.230
  340    HA   LYS  44           HA       LYS  44  -7.073  -2.784  12.151
  341    HB2  LYS  44           2HB      LYS  44  -7.113  -4.602  14.566
  342    HB3  LYS  44           1HB      LYS  44  -6.374  -3.012  14.496
  343    HG2  LYS  44           2HG      LYS  44  -8.629  -2.061  14.036
  344    HG3  LYS  44           1HG      LYS  44  -9.302  -3.671  14.321
  345    HD2  LYS  44           2HD      LYS  44  -7.732  -1.990  16.274
  346    HD3  LYS  44           1HD      LYS  44  -9.455  -2.366  16.353
  347    HE2  LYS  44           2HE      LYS  44  -9.000  -4.683  16.744
  348    HE3  LYS  44           1HE      LYS  44  -7.283  -4.455  16.416
  349    HZ1  LYS  44           3HZ      LYS  44  -7.568  -4.583  18.751
  350    HZ2  LYS  44           1HZ      LYS  44  -8.812  -3.431  18.747
  351    HZ3  LYS  44           2HZ      LYS  44  -7.225  -2.963  18.386
  352    H    LEU  45           H        LEU  45  -6.431  -5.555  10.915
  353    HA   LEU  45           HA       LEU  45  -3.604  -5.630  11.706
  354    HB2  LEU  45           2HB      LEU  45  -5.318  -7.761  10.430
  355    HB3  LEU  45           1HB      LEU  45  -3.589  -7.906  10.675
  356    HG   LEU  45           HG       LEU  45  -5.651  -7.621  12.860
  357   HD11  LEU  45          1HD1      LEU  45  -3.988  -9.985  11.998
  358   HD12  LEU  45          2HD1      LEU  45  -5.728  -9.797  11.773
  359   HD13  LEU  45          3HD1      LEU  45  -5.059  -9.930  13.399
  360   HD21  LEU  45          3HD2      LEU  45  -3.497  -6.577  13.422
  361   HD22  LEU  45          1HD2      LEU  45  -2.679  -8.094  13.051
  362   HD23  LEU  45          2HD2      LEU  45  -3.818  -8.013  14.395
  363    H    SER  46           H        SER  46  -2.118  -5.029  10.297
  364    HA   SER  46           HA       SER  46  -2.870  -4.201   7.648
  365    HB2  SER  46           2HB      SER  46  -0.363  -3.684   7.505
  366    HB3  SER  46           1HB      SER  46  -1.280  -2.804   8.730
  367    HG   SER  46           HG       SER  46   0.303  -5.128   9.148
  368    H    VAL  47           H        VAL  47  -3.209  -5.730   6.175
  369    HA   VAL  47           HA       VAL  47  -1.605  -8.169   6.240
  370    HB   VAL  47           HB       VAL  47  -4.000  -7.467   4.530
  371   HG11  VAL  47          1HG1      VAL  47  -2.564 -10.098   4.878
  372   HG12  VAL  47          2HG1      VAL  47  -2.548  -9.088   3.433
  373   HG13  VAL  47          3HG1      VAL  47  -4.049  -9.850   3.960
  374   HG21  VAL  47          3HG2      VAL  47  -3.771  -9.209   6.985
  375   HG22  VAL  47          1HG2      VAL  47  -5.205  -9.068   5.968
  376   HG23  VAL  47          2HG2      VAL  47  -4.616  -7.665   6.863
  377    H    CYS  48           H        CYS  48   0.012  -8.542   4.819
  378    HA   CYS  48           HA       CYS  48   0.665  -6.324   3.071
  379    HB2  CYS  48           2HB      CYS  48   2.293  -8.772   3.776
  380    HB3  CYS  48           1HB      CYS  48   2.875  -7.334   2.935
  381    H    ALA  49           H        ALA  49  -0.427  -6.430   1.274
  382    HA   ALA  49           HA       ALA  49  -1.115  -8.910   0.018
  383    HB1  ALA  49           1HB      ALA  49  -2.202  -7.462  -1.639
  384    HB2  ALA  49           2HB      ALA  49  -1.479  -6.051  -0.861
  385    HB3  ALA  49           3HB      ALA  49  -2.649  -7.036   0.014
  386    H    ASN  50           H        ASN  50  -0.361  -9.718  -1.887
  387    HA   ASN  50           HA       ASN  50   2.351  -9.034  -2.579
  388    HB2  ASN  50           2HB      ASN  50   0.452 -11.065  -3.794
  389    HB3  ASN  50           1HB      ASN  50   2.157 -10.906  -4.192
  390   HD21  ASN  50          1HD2      ASN  50   0.937 -10.576  -0.910
  391   HD22  ASN  50          2HD2      ASN  50   1.590 -12.079  -0.343
  392    HA   PRO  51           HA       PRO  51   1.119  -6.215  -5.827
  393    HB2  PRO  51           2HB      PRO  51   3.862  -6.628  -6.836
  394    HB3  PRO  51           1HB      PRO  51   3.074  -5.141  -6.304
  395    HG2  PRO  51           2HG      PRO  51   4.983  -6.311  -4.836
  396    HG3  PRO  51           1HG      PRO  51   3.597  -5.499  -4.084
  397    HD2  PRO  51           2HD      PRO  51   4.072  -8.425  -4.512
  398    HD3  PRO  51           1HD      PRO  51   3.410  -7.590  -3.090
  399    H    LYS  52           H        LYS  52   2.120  -9.410  -6.131
  400    HA   LYS  52           HA       LYS  52   2.243  -9.661  -8.972
  401    HB2  LYS  52           2HB      LYS  52   1.944 -11.706  -6.760
  402    HB3  LYS  52           1HB      LYS  52   2.206 -12.111  -8.450
  403    HG2  LYS  52           2HG      LYS  52   4.387 -11.023  -8.396
  404    HG3  LYS  52           1HG      LYS  52   4.116 -10.546  -6.716
  405    HD2  LYS  52           2HD      LYS  52   4.098 -12.843  -6.005
  406    HD3  LYS  52           1HD      LYS  52   4.125 -13.408  -7.673
  407    HE2  LYS  52           2HE      LYS  52   6.321 -13.660  -6.746
  408    HE3  LYS  52           1HE      LYS  52   6.364 -12.363  -7.935
  409    HZ1  LYS  52           3HZ      LYS  52   6.232 -12.011  -4.990
  410    HZ2  LYS  52           1HZ      LYS  52   6.279 -10.754  -6.132
  411    HZ3  LYS  52           2HZ      LYS  52   7.605 -11.795  -5.957
  412    H    GLN  53           H        GLN  53  -0.279  -9.700  -6.627
  413    HA   GLN  53           HA       GLN  53  -2.019 -11.485  -8.086
  414    HB2  GLN  53           2HB      GLN  53  -2.928  -9.922  -5.718
  415    HB3  GLN  53           1HB      GLN  53  -3.236 -11.604  -6.139
  416    HG2  GLN  53           2HG      GLN  53  -0.933 -12.151  -5.573
  417    HG3  GLN  53           1HG      GLN  53  -0.640 -10.481  -5.142
  418   HE21  GLN  53          1HE2      GLN  53  -1.595  -9.633  -3.303
  419   HE22  GLN  53          2HE2      GLN  53  -2.117 -10.682  -2.029
  420    H    THR  54           H        THR  54  -3.844 -10.968  -9.217
  421    HA   THR  54           HA       THR  54  -4.137  -8.256 -10.106
  422    HB   THR  54           HB       THR  54  -6.283  -9.306 -11.176
  423    HG1  THR  54           1HG      THR  54  -5.466 -11.697 -11.474
  424   HG21  THR  54          3HG2      THR  54  -4.900 -10.132 -13.039
  425   HG22  THR  54          1HG2      THR  54  -3.477 -10.066 -11.994
  426   HG23  THR  54          2HG2      THR  54  -4.331  -8.581 -12.420
  427    H    TRP  55           H        TRP  55  -5.863 -10.329  -7.820
  428    HA   TRP  55           HA       TRP  55  -8.054  -8.635  -7.410
  429    HB2  TRP  55           2HB      TRP  55  -8.438  -9.748  -5.342
  430    HB3  TRP  55           1HB      TRP  55  -7.865 -10.945  -6.484
  431    HD1  TRP  55           HD       TRP  55  -5.514 -12.004  -5.975
  432    HE1  TRP  55           1HE      TRP  55  -4.046 -12.083  -3.934
  433    HE3  TRP  55           3HE      TRP  55  -7.735  -8.371  -3.453
  434    HZ2  TRP  55           2HZ      TRP  55  -3.838 -10.699  -1.495
  435    HZ3  TRP  55           3HZ      TRP  55  -6.893  -7.761  -1.339
  436    HH2  TRP  55           HH       TRP  55  -5.006  -8.873  -0.299
  437    H    VAL  56           H        VAL  56  -4.805  -8.577  -6.232
  438    HA   VAL  56           HA       VAL  56  -5.070  -6.355  -4.499
  439    HB   VAL  56           HB       VAL  56  -2.726  -7.603  -5.912
  440   HG11  VAL  56          1HG1      VAL  56  -2.671  -5.244  -4.047
  441   HG12  VAL  56          2HG1      VAL  56  -2.244  -5.233  -5.758
  442   HG13  VAL  56          3HG1      VAL  56  -1.263  -6.143  -4.611
  443   HG21  VAL  56          3HG2      VAL  56  -3.535  -7.396  -3.025
  444   HG22  VAL  56          1HG2      VAL  56  -2.072  -8.178  -3.626
  445   HG23  VAL  56          2HG2      VAL  56  -3.655  -8.827  -4.047
  446    H    LYS  57           H        LYS  57  -3.891  -6.668  -7.837
  447    HA   LYS  57           HA       LYS  57  -3.419  -3.997  -8.363
  448    HB2  LYS  57           2HB      LYS  57  -4.403  -6.131 -10.261
  449    HB3  LYS  57           1HB      LYS  57  -3.749  -4.575 -10.757
  450    HG2  LYS  57           2HG      LYS  57  -1.608  -5.143  -9.712
  451    HG3  LYS  57           1HG      LYS  57  -2.264  -6.710  -9.234
  452    HD2  LYS  57           2HD      LYS  57  -2.622  -7.263 -11.603
  453    HD3  LYS  57           1HD      LYS  57  -1.926  -5.705 -12.060
  454    HE2  LYS  57           2HE      LYS  57  -0.533  -7.948 -10.598
  455    HE3  LYS  57           1HE      LYS  57  -0.261  -7.458 -12.269
  456    HZ1  LYS  57           3HZ      LYS  57   0.395  -5.941  -9.809
  457    HZ2  LYS  57           1HZ      LYS  57   0.405  -5.232 -11.347
  458    HZ3  LYS  57           2HZ      LYS  57   1.460  -6.508 -10.986
  459    H    TYR  58           H        TYR  58  -6.446  -5.797  -8.542
  460    HA   TYR  58           HA       TYR  58  -8.004  -3.739  -9.629
  461    HB2  TYR  58           2HB      TYR  58  -9.054  -5.808  -9.690
  462    HB3  TYR  58           1HB      TYR  58  -8.575  -6.214  -8.045
  463    HD1  TYR  58           2HD      TYR  58 -10.755  -3.778  -9.876
  464    HD2  TYR  58           1HD      TYR  58 -10.167  -6.131  -6.382
  465    HE1  TYR  58           2HE      TYR  58 -12.950  -3.068  -9.033
  466    HE2  TYR  58           1HE      TYR  58 -12.356  -5.427  -5.528
  467    HH   TYR  58           HH       TYR  58 -14.639  -3.701  -7.482
  468    H    ILE  59           H        ILE  59  -7.487  -4.709  -6.239
  469    HA   ILE  59           HA       ILE  59  -9.121  -2.715  -5.113
  470    HB   ILE  59           HB       ILE  59  -6.787  -4.155  -3.835
  471   HG12  ILE  59          2HG1      ILE  59  -9.759  -4.712  -3.732
  472   HG13  ILE  59          1HG1      ILE  59  -8.592  -5.637  -4.664
  473   HG21  ILE  59          1HG2      ILE  59  -7.894  -3.560  -1.709
  474   HG22  ILE  59          2HG2      ILE  59  -9.051  -2.577  -2.607
  475   HG23  ILE  59          3HG2      ILE  59  -7.341  -2.142  -2.598
  476   HD11  ILE  59          3HD1      ILE  59  -8.614  -5.375  -1.674
  477   HD12  ILE  59          1HD1      ILE  59  -7.492  -6.347  -2.630
  478   HD13  ILE  59          2HD1      ILE  59  -9.208  -6.756  -2.596
  479    H    VAL  60           H        VAL  60  -5.595  -2.812  -5.651
  480    HA   VAL  60           HA       VAL  60  -5.083  -0.377  -4.328
  481    HB   VAL  60           HB       VAL  60  -3.295  -1.960  -4.682
  482   HG11  VAL  60          1HG1      VAL  60  -3.510  -1.279  -7.615
  483   HG12  VAL  60          2HG1      VAL  60  -3.946  -2.821  -6.876
  484   HG13  VAL  60          3HG1      VAL  60  -2.263  -2.285  -6.877
  485   HG21  VAL  60          3HG2      VAL  60  -2.653   0.358  -4.379
  486   HG22  VAL  60          1HG2      VAL  60  -2.791   0.645  -6.115
  487   HG23  VAL  60          2HG2      VAL  60  -1.543  -0.436  -5.497
  488    H    ARG  61           H        ARG  61  -5.857  -1.037  -7.728
  489    HA   ARG  61           HA       ARG  61  -5.376   1.627  -8.597
  490    HB2  ARG  61           2HB      ARG  61  -7.083  -0.566  -9.759
  491    HB3  ARG  61           1HB      ARG  61  -6.876   1.000 -10.534
  492    HG2  ARG  61           2HG      ARG  61  -4.456   0.605 -10.643
  493    HG3  ARG  61           1HG      ARG  61  -4.699  -0.984  -9.917
  494    HD2  ARG  61           2HD      ARG  61  -5.784  -0.022 -12.560
  495    HD3  ARG  61           1HD      ARG  61  -4.501  -1.208 -12.312
  496    HE   ARG  61           HE       ARG  61  -7.272  -1.679 -11.395
  497   HH11  ARG  61          1HH1      ARG  61  -4.364  -2.728 -13.052
  498   HH12  ARG  61          2HH1      ARG  61  -5.004  -4.308 -13.426
  499   HH21  ARG  61          1HH2      ARG  61  -8.108  -3.721 -11.892
  500   HH22  ARG  61          2HH2      ARG  61  -7.146  -4.868 -12.771
  501    H    LEU  62           H        LEU  62  -8.076  -0.001  -7.139
  502    HA   LEU  62           HA       LEU  62  -9.966   2.111  -7.532
  503    HB2  LEU  62           2HB      LEU  62 -10.531  -0.297  -7.123
  504    HB3  LEU  62           1HB      LEU  62  -9.979  -0.096  -5.471
  505    HG   LEU  62           HG       LEU  62 -11.749   1.661  -5.173
  506   HD11  LEU  62          1HD1      LEU  62 -13.593   1.689  -6.796
  507   HD12  LEU  62          2HD1      LEU  62 -12.663   0.629  -7.857
  508   HD13  LEU  62          3HD1      LEU  62 -12.079   2.256  -7.501
  509   HD21  LEU  62          3HD2      LEU  62 -12.692  -1.097  -5.951
  510   HD22  LEU  62          1HD2      LEU  62 -13.574   0.054  -4.949
  511   HD23  LEU  62          2HD2      LEU  62 -12.053  -0.628  -4.376
  512    H    LEU  63           H        LEU  63  -7.818   1.070  -4.947
  513    HA   LEU  63           HA       LEU  63  -8.611   2.937  -2.999
  514    HB2  LEU  63           2HB      LEU  63  -6.486   0.988  -3.363
  515    HB3  LEU  63           1HB      LEU  63  -6.009   2.367  -2.396
  516    HG   LEU  63           HG       LEU  63  -6.847   0.451  -1.060
  517   HD11  LEU  63          1HD1      LEU  63  -8.536   2.936  -0.885
  518   HD12  LEU  63          2HD1      LEU  63  -6.925   2.725  -0.195
  519   HD13  LEU  63          3HD1      LEU  63  -8.272   1.753   0.397
  520   HD21  LEU  63          3HD2      LEU  63  -9.476   1.105  -2.382
  521   HD22  LEU  63          1HD2      LEU  63  -9.261   0.030  -0.999
  522   HD23  LEU  63          2HD2      LEU  63  -8.552  -0.388  -2.558
  523    H    SER  64           H        SER  64  -6.432   3.173  -5.681
  524    HA   SER  64           HA       SER  64  -4.971   5.416  -4.701
  525    HB2  SER  64           2HB      SER  64  -4.224   3.734  -6.475
  526    HB3  SER  64           1HB      SER  64  -5.267   4.609  -7.595
  527    HG   SER  64           HG       SER  64  -3.135   5.752  -6.096
  528    H    LYS  65           H        LYS  65  -7.960   5.022  -6.454
  529    HA   LYS  65           HA       LYS  65  -8.272   7.936  -6.477
  530    HB2  LYS  65           2HB      LYS  65  -9.316   7.832  -8.730
  531    HB3  LYS  65           1HB      LYS  65  -7.609   7.419  -8.735
  532    HG2  LYS  65           2HG      LYS  65  -8.172   5.051  -8.868
  533    HG3  LYS  65           1HG      LYS  65  -9.890   5.455  -8.836
  534    HD2  LYS  65           2HD      LYS  65  -9.177   5.045 -11.116
  535    HD3  LYS  65           1HD      LYS  65  -9.600   6.745 -10.912
  536    HE2  LYS  65           2HE      LYS  65  -7.571   6.547 -12.214
  537    HE3  LYS  65           1HE      LYS  65  -7.212   7.286 -10.655
  538    HZ1  LYS  65           3HZ      LYS  65  -6.715   4.475 -11.456
  539    HZ2  LYS  65           1HZ      LYS  65  -6.508   5.063  -9.881
  540    HZ3  LYS  65           2HZ      LYS  65  -5.550   5.669 -11.135
  541    H    LYS  66           H        LYS  66  -9.334   6.481  -4.532
  542    HA   LYS  66           HA       LYS  66 -11.923   5.423  -5.135
  543    HB2  LYS  66           2HB      LYS  66 -10.530   4.627  -3.237
  544    HB3  LYS  66           1HB      LYS  66 -10.748   6.186  -2.455
  545    HG2  LYS  66           2HG      LYS  66 -13.239   5.723  -2.552
  546    HG3  LYS  66           1HG      LYS  66 -12.808   4.067  -2.985
  547    HD2  LYS  66           2HD      LYS  66 -13.188   4.258  -0.586
  548    HD3  LYS  66           1HD      LYS  66 -11.497   3.879  -0.915
  549    HE2  LYS  66           2HE      LYS  66 -11.740   5.605   0.825
  550    HE3  LYS  66           1HE      LYS  66 -10.884   6.206  -0.595
  551    HZ1  LYS  66           3HZ      LYS  66 -12.979   7.191  -1.357
  552    HZ2  LYS  66           1HZ      LYS  66 -12.491   7.826   0.138
  553    HZ3  LYS  66           2HZ      LYS  66 -13.743   6.679   0.068
  554    H    VAL  67           H        VAL  67 -13.044   7.081  -6.144
  555    HA   VAL  67           HA       VAL  67 -13.776   9.383  -4.456
  556    HB   VAL  67           HB       VAL  67 -14.324  10.572  -6.572
  557   HG11  VAL  67          1HG1      VAL  67 -12.195  10.992  -5.505
  558   HG12  VAL  67          2HG1      VAL  67 -11.982  10.981  -7.258
  559   HG13  VAL  67          3HG1      VAL  67 -11.487   9.585  -6.301
  560   HG21  VAL  67          3HG2      VAL  67 -14.706   8.642  -8.006
  561   HG22  VAL  67          1HG2      VAL  67 -13.005   8.194  -7.877
  562   HG23  VAL  67          2HG2      VAL  67 -13.464   9.690  -8.692
  563    H    LYS  68           H        LYS  68 -15.998  10.330  -5.517
  564    HA   LYS  68           HA       LYS  68 -17.873   8.079  -5.323
  565    HB2  LYS  68           2HB      LYS  68 -18.322  11.038  -4.904
  566    HB3  LYS  68           1HB      LYS  68 -19.573   9.812  -4.784
  567    HG2  LYS  68           2HG      LYS  68 -17.125  10.015  -3.031
  568    HG3  LYS  68           1HG      LYS  68 -18.770  10.481  -2.586
  569    HD2  LYS  68           2HD      LYS  68 -17.849   7.701  -3.317
  570    HD3  LYS  68           1HD      LYS  68 -18.177   8.281  -1.686
  571    HE2  LYS  68           2HE      LYS  68 -20.184   8.081  -3.933
  572    HE3  LYS  68           1HE      LYS  68 -20.050   6.969  -2.573
  573    HZ1  LYS  68           3HZ      LYS  68 -20.520   8.882  -1.089
  574    HZ2  LYS  68           1HZ      LYS  68 -21.797   8.510  -2.140
  575    HZ3  LYS  68           2HZ      LYS  68 -20.803   9.839  -2.463
  576    H    ASN  69           H        ASN  69 -17.200  10.983  -7.244
  577    HA   ASN  69           HA       ASN  69 -19.115  10.004  -9.252
  578    HB2  ASN  69           2HB      ASN  69 -19.569  12.274  -8.367
  579    HB3  ASN  69           1HB      ASN  69 -17.987  12.799  -8.928
  580   HD21  ASN  69          1HD2      ASN  69 -21.217  11.917  -9.854
  581   HD22  ASN  69          2HD2      ASN  69 -21.111  12.468 -11.492
  582    H    MET  70           H        MET  70 -18.455   9.585 -11.306
  583    HA   MET  70           HA       MET  70 -15.551   9.652 -11.770
  584    HB2  MET  70           2HB      MET  70 -17.658   7.783 -12.873
  585    HB3  MET  70           1HB      MET  70 -15.965   7.770 -13.348
  586    HG2  MET  70           2HG      MET  70 -15.317   7.216 -11.070
  587    HG3  MET  70           1HG      MET  70 -17.007   7.266 -10.570
  588    HE1  MET  70           3HE      MET  70 -18.851   5.572 -11.430
  589    HE2  MET  70           1HE      MET  70 -18.531   4.245 -12.547
  590    HE3  MET  70           2HE      MET  70 -18.435   5.914 -13.107
  Start of MODEL    6
    1    H1   ALA   1           1HT      ALA   1  18.627   5.037   2.237
    2    H2   ALA   1           2HT      ALA   1  18.920   6.709   2.278
    3    H3   ALA   1           3HT      ALA   1  17.472   6.116   1.619
    4    HA   ALA   1           HA       ALA   1  18.296   5.830   4.452
    5    HB1  ALA   1           1HB      ALA   1  17.808   8.164   3.869
    6    HB2  ALA   1           2HB      ALA   1  16.592   7.494   4.955
    7    HB3  ALA   1           3HB      ALA   1  16.236   7.675   3.238
    8    H    SER   2           H        SER   2  16.986   4.584   5.680
    9    HA   SER   2           HA       SER   2  14.695   3.326   4.335
   10    HB2  SER   2           2HB      SER   2  15.144   1.511   6.195
   11    HB3  SER   2           1HB      SER   2  16.109   1.529   4.717
   12    HG   SER   2           HG       SER   2  17.770   1.717   5.977
   13    H    ASN   3           H        ASN   3  12.907   4.253   5.007
   14    HA   ASN   3           HA       ASN   3  12.631   5.303   7.688
   15    HB2  ASN   3           2HB      ASN   3  11.616   6.465   5.752
   16    HB3  ASN   3           1HB      ASN   3  10.590   5.067   5.461
   17   HD21  ASN   3          1HD2      ASN   3   8.726   6.290   5.693
   18   HD22  ASN   3          2HD2      ASN   3   8.170   6.848   7.241
   19    H    PHE   4           H        PHE   4  11.283   2.664   5.764
   20    HA   PHE   4           HA       PHE   4  10.530   1.314   8.257
   21    HB2  PHE   4           2HB      PHE   4   8.539   0.374   7.049
   22    HB3  PHE   4           1HB      PHE   4   8.455   2.093   7.362
   23    HD1  PHE   4           2HD      PHE   4  10.144   0.207   4.618
   24    HD2  PHE   4           1HD      PHE   4   7.139   3.014   5.723
   25    HE1  PHE   4           2HE      PHE   4   9.640   0.595   2.248
   26    HE2  PHE   4           1HE      PHE   4   6.626   3.400   3.346
   27    HZ   PHE   4           HZ       PHE   4   7.877   2.176   1.609
   28    H    ASP   5           H        ASP   5   9.707  -1.047   7.390
   29    HA   ASP   5           HA       ASP   5  11.648  -2.056   5.458
   30    HB2  ASP   5           2HB      ASP   5  12.721  -2.493   7.545
   31    HB3  ASP   5           1HB      ASP   5  11.240  -3.121   8.251
   32    H    CYS   6           H        CYS   6  10.303  -2.618   3.927
   33    HA   CYS   6           HA       CYS   6   7.745  -3.438   3.911
   34    HB2  CYS   6           2HB      CYS   6  10.062  -4.150   2.122
   35    HB3  CYS   6           1HB      CYS   6   8.396  -4.550   1.727
   36    H    CYS   7           H        CYS   7   6.637  -5.361   3.841
   37    HA   CYS   7           HA       CYS   7   7.137  -7.284   5.716
   38    HB2  CYS   7           2HB      CYS   7   5.580  -7.649   3.151
   39    HB3  CYS   7           1HB      CYS   7   5.433  -8.646   4.591
   40    H    LEU   8           H        LEU   8   8.603  -8.843   5.895
   41    HA   LEU   8           HA       LEU   8  10.321  -9.669   3.813
   42    HB2  LEU   8           2HB      LEU   8   9.668 -11.117   6.385
   43    HB3  LEU   8           1HB      LEU   8  11.068 -11.396   5.364
   44    HG   LEU   8           HG       LEU   8  10.493  -8.828   6.844
   45   HD11  LEU   8          1HD1      LEU   8  12.352  -9.504   8.298
   46   HD12  LEU   8          2HD1      LEU   8  12.435 -11.053   7.456
   47   HD13  LEU   8          3HD1      LEU   8  10.998 -10.631   8.385
   48   HD21  LEU   8          3HD2      LEU   8  12.951  -9.720   5.333
   49   HD22  LEU   8          1HD2      LEU   8  12.752  -8.200   6.205
   50   HD23  LEU   8          2HD2      LEU   8  11.779  -8.528   4.771
   51    H    GLY   9           H        GLY   9   7.187 -10.712   4.832
   52    HA2  GLY   9           2HA      GLY   9   7.197 -12.719   2.683
   53    HA3  GLY   9           1HA      GLY   9   6.562 -13.125   4.268
   54    H    TYR  10           H        TYR  10   5.474 -12.686   1.404
   55    HA   TYR  10           HA       TYR  10   3.398 -10.702   1.956
   56    HB2  TYR  10           2HB      TYR  10   3.969 -12.340  -0.518
   57    HB3  TYR  10           1HB      TYR  10   2.723 -11.116  -0.385
   58    HD1  TYR  10           2HD      TYR  10   6.406 -11.541  -0.072
   59    HD2  TYR  10           1HD      TYR  10   3.184  -8.932  -1.043
   60    HE1  TYR  10           2HE      TYR  10   8.016  -9.860  -0.861
   61    HE2  TYR  10           1HE      TYR  10   4.789  -7.250  -1.837
   62    HH   TYR  10           HH       TYR  10   6.979  -6.640  -1.808
   63    H    THR  11           H        THR  11   1.132 -11.497   0.949
   64    HA   THR  11           HA       THR  11   0.573 -14.142   2.118
   65    HB   THR  11           HB       THR  11  -0.110 -12.115   3.521
   66    HG1  THR  11           1HG      THR  11  -1.288 -13.661   4.349
   67   HG21  THR  11          3HG2      THR  11  -2.231 -11.062   2.971
   68   HG22  THR  11          1HG2      THR  11  -2.284 -11.951   1.446
   69   HG23  THR  11          2HG2      THR  11  -1.023 -10.748   1.726
   70    H    ASP  12           H        ASP  12  -0.557 -15.505   0.871
   71    HA   ASP  12           HA       ASP  12  -1.746 -14.491  -1.602
   72    HB2  ASP  12           2HB      ASP  12  -0.116 -16.397  -1.766
   73    HB3  ASP  12           1HB      ASP  12  -1.249 -17.382  -0.846
   74    H    ARG  13           H        ARG  13  -3.346 -13.576  -0.178
   75    HA   ARG  13           HA       ARG  13  -5.450 -15.456   0.656
   76    HB2  ARG  13           2HB      ARG  13  -5.271 -12.468   1.089
   77    HB3  ARG  13           1HB      ARG  13  -6.441 -13.558   1.810
   78    HG2  ARG  13           2HG      ARG  13  -3.498 -13.800   2.322
   79    HG3  ARG  13           1HG      ARG  13  -4.543 -12.751   3.279
   80    HD2  ARG  13           2HD      ARG  13  -5.985 -14.854   3.614
   81    HD3  ARG  13           1HD      ARG  13  -4.568 -15.739   3.051
   82    HE   ARG  13           HE       ARG  13  -3.421 -14.365   4.942
   83   HH11  ARG  13          1HH1      ARG  13  -6.579 -15.880   5.025
   84   HH12  ARG  13          2HH1      ARG  13  -6.623 -15.989   6.760
   85   HH21  ARG  13          1HH2      ARG  13  -3.468 -14.493   7.211
   86   HH22  ARG  13          2HH2      ARG  13  -4.835 -15.204   8.004
   87    H    ILE  14           H        ILE  14  -7.732 -14.463   0.253
   88    HA   ILE  14           HA       ILE  14  -7.769 -12.665  -2.075
   89    HB   ILE  14           HB       ILE  14  -9.687 -14.911  -1.482
   90   HG12  ILE  14          2HG1      ILE  14  -7.602 -15.248  -2.922
   91   HG13  ILE  14          1HG1      ILE  14  -9.136 -15.750  -3.615
   92   HG21  ILE  14          1HG2      ILE  14 -10.100 -12.630  -3.402
   93   HG22  ILE  14          2HG2      ILE  14 -11.025 -12.932  -1.932
   94   HG23  ILE  14          3HG2      ILE  14 -11.123 -14.064  -3.283
   95   HD11  ILE  14          3HD1      ILE  14  -9.238 -13.699  -4.917
   96   HD12  ILE  14          1HD1      ILE  14  -7.752 -14.595  -5.244
   97   HD13  ILE  14          2HD1      ILE  14  -7.712 -13.169  -4.206
   98    H    LEU  15           H        LEU  15  -7.750 -10.908  -0.726
   99    HA   LEU  15           HA       LEU  15  -9.933 -10.628   1.207
  100    HB2  LEU  15           2HB      LEU  15  -7.401  -9.035   0.799
  101    HB3  LEU  15           1HB      LEU  15  -8.640  -8.634   1.984
  102    HG   LEU  15           HG       LEU  15  -7.817 -11.379   2.278
  103   HD11  LEU  15          1HD1      LEU  15  -5.517 -10.961   3.003
  104   HD12  LEU  15          2HD1      LEU  15  -5.644  -9.295   2.437
  105   HD13  LEU  15          3HD1      LEU  15  -5.733 -10.629   1.282
  106   HD21  LEU  15          3HD2      LEU  15  -7.447 -10.666   4.569
  107   HD22  LEU  15          1HD2      LEU  15  -8.974 -10.034   3.951
  108   HD23  LEU  15          2HD2      LEU  15  -7.568  -8.976   4.074
  109    H    HIS  16           H        HIS  16 -10.954  -8.375   1.251
  110    HA   HIS  16           HA       HIS  16 -11.298  -7.465  -1.528
  111    HB2  HIS  16           2HB      HIS  16 -13.492  -8.148   0.423
  112    HB3  HIS  16           1HB      HIS  16 -13.740  -7.376  -1.137
  113    HD1  HIS  16           1HD      HIS  16 -15.165  -9.900  -0.627
  114    HD2  HIS  16           2HD      HIS  16 -11.327  -9.824  -2.227
  115    HE1  HIS  16           1HE      HIS  16 -14.949 -12.003  -1.892
  116    HE2  HIS  16           2HE      HIS  16 -12.731 -11.860  -3.072
  117    HA   PRO  17           HA       PRO  17 -11.871  -3.297   0.166
  118    HB2  PRO  17           2HB      PRO  17 -14.145  -2.562  -1.226
  119    HB3  PRO  17           1HB      PRO  17 -12.503  -2.411  -1.860
  120    HG2  PRO  17           2HG      PRO  17 -14.551  -4.518  -2.367
  121    HG3  PRO  17           1HG      PRO  17 -13.391  -3.788  -3.491
  122    HD2  PRO  17           2HD      PRO  17 -13.010  -6.247  -2.433
  123    HD3  PRO  17           1HD      PRO  17 -11.657  -5.143  -2.777
  124    H    LYS  18           H        LYS  18 -14.295  -5.735  -0.106
  125    HA   LYS  18           HA       LYS  18 -16.306  -5.000   1.628
  126    HB2  LYS  18           2HB      LYS  18 -14.984  -7.707   1.307
  127    HB3  LYS  18           1HB      LYS  18 -16.550  -7.466   2.043
  128    HG2  LYS  18           2HG      LYS  18 -17.376  -6.581  -0.121
  129    HG3  LYS  18           1HG      LYS  18 -15.810  -6.965  -0.829
  130    HD2  LYS  18           2HD      LYS  18 -16.135  -9.318  -0.222
  131    HD3  LYS  18           1HD      LYS  18 -17.706  -8.918   0.473
  132    HE2  LYS  18           2HE      LYS  18 -16.976  -8.436  -2.409
  133    HE3  LYS  18           1HE      LYS  18 -17.767  -9.898  -1.835
  134    HZ1  LYS  18           3HZ      LYS  18 -19.599  -8.537  -1.022
  135    HZ2  LYS  18           1HZ      LYS  18 -19.381  -8.347  -2.692
  136    HZ3  LYS  18           2HZ      LYS  18 -18.852  -7.137  -1.624
  137    H    PHE  19           H        PHE  19 -12.998  -5.843   2.324
  138    HA   PHE  19           HA       PHE  19 -13.557  -5.744   5.220
  139    HB2  PHE  19           2HB      PHE  19 -11.417  -7.407   3.873
  140    HB3  PHE  19           1HB      PHE  19 -11.812  -7.390   5.586
  141    HD1  PHE  19           2HD      PHE  19 -13.833  -8.466   6.407
  142    HD2  PHE  19           1HD      PHE  19 -12.752  -8.637   2.296
  143    HE1  PHE  19           2HE      PHE  19 -15.430 -10.307   6.062
  144    HE2  PHE  19           1HE      PHE  19 -14.346 -10.473   1.938
  145    HZ   PHE  19           HZ       PHE  19 -15.692 -11.313   3.829
  146    H    ILE  20           H        ILE  20 -12.152  -4.107   2.753
  147    HA   ILE  20           HA       ILE  20  -9.653  -3.456   4.130
  148    HB   ILE  20           HB       ILE  20 -10.572  -3.317   1.314
  149   HG12  ILE  20          2HG1      ILE  20  -8.431  -4.160   0.818
  150   HG13  ILE  20          1HG1      ILE  20  -7.728  -3.525   2.296
  151   HG21  ILE  20          1HG2      ILE  20 -10.216  -0.945   1.686
  152   HG22  ILE  20          2HG2      ILE  20  -8.923  -1.598   0.678
  153   HG23  ILE  20          3HG2      ILE  20  -8.633  -1.267   2.387
  154   HD11  ILE  20          3HD1      ILE  20  -9.646  -5.844   2.093
  155   HD12  ILE  20          1HD1      ILE  20  -8.947  -5.214   3.584
  156   HD13  ILE  20          2HD1      ILE  20  -7.906  -5.946   2.364
  157    H    VAL  21           H        VAL  21  -9.472  -1.707   5.351
  158    HA   VAL  21           HA       VAL  21 -11.255   0.571   4.798
  159    HB   VAL  21           HB       VAL  21 -11.118   1.177   7.182
  160   HG11  VAL  21          1HG1      VAL  21 -13.010  -0.138   6.388
  161   HG12  VAL  21          2HG1      VAL  21 -12.588  -0.562   8.047
  162   HG13  VAL  21          3HG1      VAL  21 -12.122  -1.624   6.721
  163   HG21  VAL  21          3HG2      VAL  21  -8.983   0.124   7.718
  164   HG22  VAL  21          1HG2      VAL  21  -9.718  -1.465   7.525
  165   HG23  VAL  21          2HG2      VAL  21 -10.257  -0.397   8.821
  166    H    GLY  22           H        GLY  22  -8.149  -0.499   4.593
  167    HA2  GLY  22           2HA      GLY  22  -7.207   2.197   4.171
  168    HA3  GLY  22           1HA      GLY  22  -6.445   1.384   5.533
  169    H    PHE  23           H        PHE  23  -5.065   2.269   3.232
  170    HA   PHE  23           HA       PHE  23  -3.844  -0.262   2.416
  171    HB2  PHE  23           2HB      PHE  23  -5.174  -0.135   0.573
  172    HB3  PHE  23           1HB      PHE  23  -5.334   1.613   0.658
  173    HD1  PHE  23           1HD      PHE  23  -3.228  -1.163  -0.450
  174    HD2  PHE  23           2HD      PHE  23  -3.807   3.041  -0.377
  175    HE1  PHE  23           1HE      PHE  23  -1.520  -0.910  -2.200
  176    HE2  PHE  23           2HE      PHE  23  -2.097   3.305  -2.141
  177    HZ   PHE  23           HZ       PHE  23  -0.972   1.309  -3.022
  178    H    THR  24           H        THR  24  -1.734  -0.102   2.335
  179    HA   THR  24           HA       THR  24  -0.455   2.508   1.973
  180    HB   THR  24           HB       THR  24   0.262   0.592   4.205
  181    HG1  THR  24           1HG      THR  24  -0.838   3.232   4.321
  182   HG21  THR  24          3HG2      THR  24   1.861   2.300   4.894
  183   HG22  THR  24          1HG2      THR  24   1.406   3.299   3.519
  184   HG23  THR  24          2HG2      THR  24   2.211   1.751   3.252
  185    H    ARG  25           H        ARG  25   0.642   2.104   0.092
  186    HA   ARG  25           HA       ARG  25   1.762  -0.523  -0.385
  187    HB2  ARG  25           2HB      ARG  25   0.852   0.528  -2.310
  188    HB3  ARG  25           1HB      ARG  25   1.734   2.021  -2.004
  189    HG2  ARG  25           2HG      ARG  25   3.846   0.731  -2.405
  190    HG3  ARG  25           1HG      ARG  25   2.832  -0.615  -2.930
  191    HD2  ARG  25           2HD      ARG  25   2.635   2.131  -4.136
  192    HD3  ARG  25           1HD      ARG  25   3.751   0.911  -4.745
  193    HE   ARG  25           HE       ARG  25   1.181  -0.205  -4.617
  194   HH11  ARG  25          1HH1      ARG  25   2.929   2.264  -6.403
  195   HH12  ARG  25          2HH1      ARG  25   2.001   2.025  -7.856
  196   HH21  ARG  25          1HH2      ARG  25  -0.030  -0.496  -6.544
  197   HH22  ARG  25          2HH2      ARG  25   0.332   0.475  -7.938
  198    H    GLN  26           H        GLN  26   3.508  -1.056   0.665
  199    HA   GLN  26           HA       GLN  26   5.418   0.897   1.588
  200    HB2  GLN  26           2HB      GLN  26   4.548  -1.346   2.689
  201    HB3  GLN  26           1HB      GLN  26   5.845  -2.066   1.747
  202    HG2  GLN  26           2HG      GLN  26   7.489  -0.959   2.926
  203    HG3  GLN  26           1HG      GLN  26   6.372   0.267   3.524
  204   HE21  GLN  26          1HE2      GLN  26   5.567  -3.117   3.574
  205   HE22  GLN  26          2HE2      GLN  26   5.673  -3.322   5.294
  206    H    LEU  27           H        LEU  27   7.109   1.573   0.387
  207    HA   LEU  27           HA       LEU  27   7.487   0.222  -2.192
  208    HB2  LEU  27           2HB      LEU  27   7.794   3.068  -1.298
  209    HB3  LEU  27           1HB      LEU  27   8.459   2.504  -2.820
  210    HG   LEU  27           HG       LEU  27   5.537   2.313  -2.089
  211   HD11  LEU  27          1HD1      LEU  27   6.262   4.651  -2.232
  212   HD12  LEU  27          2HD1      LEU  27   5.213   4.211  -3.581
  213   HD13  LEU  27          3HD1      LEU  27   6.956   4.334  -3.822
  214   HD21  LEU  27          3HD2      LEU  27   6.312   0.676  -3.735
  215   HD22  LEU  27          1HD2      LEU  27   7.003   1.975  -4.704
  216   HD23  LEU  27          2HD2      LEU  27   5.256   1.879  -4.477
  217    H    ALA  28           H        ALA  28   9.462  -0.127  -3.092
  218    HA   ALA  28           HA       ALA  28  11.701  -0.555  -1.361
  219    HB1  ALA  28           1HB      ALA  28  11.260  -2.046  -3.231
  220    HB2  ALA  28           2HB      ALA  28  12.840  -1.284  -3.418
  221    HB3  ALA  28           3HB      ALA  28  11.469  -0.709  -4.364
  222    H    ASN  29           H        ASN  29  10.627   2.231  -2.045
  223    HA   ASN  29           HA       ASN  29  13.163   3.442  -2.921
  224    HB2  ASN  29           2HB      ASN  29  10.363   4.562  -3.237
  225    HB3  ASN  29           1HB      ASN  29  11.849   5.339  -3.771
  226   HD21  ASN  29          1HD2      ASN  29   9.525   2.868  -4.392
  227   HD22  ASN  29          2HD2      ASN  29  10.087   2.426  -5.966
  228    H    GLU  30           H        GLU  30  11.171   2.907  -0.357
  229    HA   GLU  30           HA       GLU  30  11.756   5.473   0.949
  230    HB2  GLU  30           2HB      GLU  30   9.930   3.301   1.955
  231    HB3  GLU  30           1HB      GLU  30   9.995   4.979   2.474
  232    HG2  GLU  30           2HG      GLU  30   9.096   4.013  -0.227
  233    HG3  GLU  30           1HG      GLU  30   8.040   4.499   1.094
  234    H    GLY  31           H        GLY  31  13.071   2.481   0.645
  235    HA2  GLY  31           2HA      GLY  31  15.158   2.604   2.221
  236    HA3  GLY  31           1HA      GLY  31  13.934   2.277   3.436
  237    H    CYS  32           H        CYS  32  12.359   0.412   2.251
  238    HA   CYS  32           HA       CYS  32  13.907  -1.952   2.493
  239    HB2  CYS  32           2HB      CYS  32  11.879  -3.124   2.200
  240    HB3  CYS  32           1HB      CYS  32  11.438  -1.621   3.007
  241    H    ASP  33           H        ASP  33  13.689  -3.711   0.687
  242    HA   ASP  33           HA       ASP  33  14.557  -2.421  -1.817
  243    HB2  ASP  33           2HB      ASP  33  16.266  -3.698  -0.442
  244    HB3  ASP  33           1HB      ASP  33  15.366  -5.162  -0.823
  245    H    ILE  34           H        ILE  34  11.951  -3.791  -0.644
  246    HA   ILE  34           HA       ILE  34  11.200  -4.988  -3.220
  247    HB   ILE  34           HB       ILE  34   9.845  -6.684  -2.117
  248   HG12  ILE  34          2HG1      ILE  34  10.929  -5.550   0.473
  249   HG13  ILE  34          1HG1      ILE  34   9.259  -5.437  -0.078
  250   HG21  ILE  34          1HG2      ILE  34  11.605  -8.076  -1.166
  251   HG22  ILE  34          2HG2      ILE  34  12.645  -6.661  -1.003
  252   HG23  ILE  34          3HG2      ILE  34  12.177  -7.229  -2.606
  253   HD11  ILE  34          3HD1      ILE  34   9.030  -7.848   0.079
  254   HD12  ILE  34          1HD1      ILE  34   9.548  -7.168   1.620
  255   HD13  ILE  34          2HD1      ILE  34  10.714  -7.990   0.581
  256    H    ASN  35           H        ASN  35   8.488  -5.266  -2.877
  257    HA   ASN  35           HA       ASN  35   7.572  -2.896  -1.450
  258    HB2  ASN  35           2HB      ASN  35   6.188  -2.089  -3.311
  259    HB3  ASN  35           1HB      ASN  35   7.899  -2.053  -3.720
  260   HD21  ASN  35          1HD2      ASN  35   8.679  -3.417  -5.297
  261   HD22  ASN  35          2HD2      ASN  35   7.638  -4.269  -6.384
  262    H    ALA  36           H        ALA  36   5.904  -3.319  -0.263
  263    HA   ALA  36           HA       ALA  36   4.240  -5.649  -0.956
  264    HB1  ALA  36           1HB      ALA  36   4.906  -4.604   1.795
  265    HB2  ALA  36           2HB      ALA  36   5.600  -6.041   1.047
  266    HB3  ALA  36           3HB      ALA  36   3.879  -5.991   1.431
  267    H    ILE  37           H        ILE  37   2.087  -5.400  -1.004
  268    HA   ILE  37           HA       ILE  37   0.978  -2.732  -0.698
  269    HB   ILE  37           HB       ILE  37  -0.319  -5.316  -1.593
  270   HG12  ILE  37          2HG1      ILE  37   1.436  -4.563  -3.130
  271   HG13  ILE  37          1HG1      ILE  37  -0.156  -4.401  -3.858
  272   HG21  ILE  37          1HG2      ILE  37  -2.029  -3.918  -0.785
  273   HG22  ILE  37          2HG2      ILE  37  -2.048  -3.738  -2.541
  274   HG23  ILE  37          3HG2      ILE  37  -1.315  -2.493  -1.530
  275   HD11  ILE  37          3HD1      ILE  37  -0.131  -2.017  -3.393
  276   HD12  ILE  37          1HD1      ILE  37   1.255  -2.501  -4.371
  277   HD13  ILE  37          2HD1      ILE  37   1.459  -2.175  -2.647
  278    H    ILE  38           H        ILE  38   0.759  -2.300   1.494
  279    HA   ILE  38           HA       ILE  38  -0.331  -4.363   3.216
  280    HB   ILE  38           HB       ILE  38   0.605  -1.557   3.828
  281   HG12  ILE  38          2HG1      ILE  38   2.195  -2.868   5.320
  282   HG13  ILE  38          1HG1      ILE  38   1.620  -4.317   4.509
  283   HG21  ILE  38          1HG2      ILE  38   0.177  -2.036   6.197
  284   HG22  ILE  38          2HG2      ILE  38  -0.592  -3.558   5.746
  285   HG23  ILE  38          3HG2      ILE  38  -1.315  -2.027   5.254
  286   HD11  ILE  38          3HD1      ILE  38   2.999  -1.997   3.194
  287   HD12  ILE  38          1HD1      ILE  38   2.439  -3.461   2.386
  288   HD13  ILE  38          2HD1      ILE  38   3.727  -3.554   3.588
  289    H    PHE  39           H        PHE  39  -2.422  -4.710   2.694
  290    HA   PHE  39           HA       PHE  39  -4.302  -2.492   2.713
  291    HB2  PHE  39           2HB      PHE  39  -4.703  -5.479   2.461
  292    HB3  PHE  39           1HB      PHE  39  -6.031  -4.336   2.560
  293    HD1  PHE  39           1HD      PHE  39  -5.138  -2.151   0.817
  294    HD2  PHE  39           2HD      PHE  39  -4.765  -6.367   0.350
  295    HE1  PHE  39           1HE      PHE  39  -5.082  -1.872  -1.642
  296    HE2  PHE  39           2HE      PHE  39  -4.695  -6.095  -2.085
  297    HZ   PHE  39           HZ       PHE  39  -4.845  -3.865  -3.076
  298    H    HIS  40           H        HIS  40  -5.288  -1.791   4.468
  299    HA   HIS  40           HA       HIS  40  -4.804  -3.220   6.977
  300    HB2  HIS  40           2HB      HIS  40  -6.034  -0.478   6.590
  301    HB3  HIS  40           1HB      HIS  40  -5.447  -1.166   8.100
  302    HD1  HIS  40           1HD      HIS  40  -3.173  -0.334   8.755
  303    HD2  HIS  40           2HD      HIS  40  -3.779  -0.224   4.640
  304    HE1  HIS  40           1HE      HIS  40  -1.096   0.710   7.762
  305    HE2  HIS  40           2HE      HIS  40  -1.621   1.009   5.335
  306    H    THR  41           H        THR  41  -6.301  -4.633   7.565
  307    HA   THR  41           HA       THR  41  -8.908  -4.604   6.358
  308    HB   THR  41           HB       THR  41  -9.296  -6.655   7.735
  309    HG1  THR  41           1HG      THR  41  -6.537  -6.529   8.366
  310   HG21  THR  41          3HG2      THR  41  -6.778  -6.602   6.072
  311   HG22  THR  41          1HG2      THR  41  -8.421  -6.829   5.466
  312   HG23  THR  41          2HG2      THR  41  -7.688  -8.049   6.506
  313    H    LYS  42           H        LYS  42 -10.885  -4.568   7.458
  314    HA   LYS  42           HA       LYS  42 -11.152  -2.704   9.522
  315    HB2  LYS  42           2HB      LYS  42 -13.487  -3.418   9.524
  316    HB3  LYS  42           1HB      LYS  42 -12.908  -3.176   7.892
  317    HG2  LYS  42           2HG      LYS  42 -12.581  -5.633   7.710
  318    HG3  LYS  42           1HG      LYS  42 -13.337  -5.803   9.297
  319    HD2  LYS  42           2HD      LYS  42 -14.627  -4.532   6.884
  320    HD3  LYS  42           1HD      LYS  42 -14.922  -6.180   7.441
  321    HE2  LYS  42           2HE      LYS  42 -15.389  -3.729   9.127
  322    HE3  LYS  42           1HE      LYS  42 -16.640  -4.481   8.140
  323    HZ1  LYS  42           3HZ      LYS  42 -15.168  -5.785  10.372
  324    HZ2  LYS  42           1HZ      LYS  42 -16.359  -6.518   9.415
  325    HZ3  LYS  42           2HZ      LYS  42 -16.769  -5.224  10.424
  326    H    LYS  43           H        LYS  43 -10.035  -5.841   9.605
  327    HA   LYS  43           HA       LYS  43 -10.969  -6.314  12.318
  328    HB2  LYS  43           2HB      LYS  43 -11.074  -8.113  10.486
  329    HB3  LYS  43           1HB      LYS  43  -9.327  -8.226  10.672
  330    HG2  LYS  43           2HG      LYS  43  -9.551  -8.908  12.955
  331    HG3  LYS  43           1HG      LYS  43 -11.294  -8.625  12.915
  332    HD2  LYS  43           2HD      LYS  43 -11.518 -10.400  11.224
  333    HD3  LYS  43           1HD      LYS  43  -9.778 -10.689  11.312
  334    HE2  LYS  43           2HE      LYS  43 -11.034 -12.308  12.655
  335    HE3  LYS  43           1HE      LYS  43  -9.979 -11.307  13.652
  336    HZ1  LYS  43           3HZ      LYS  43 -12.896 -10.873  13.293
  337    HZ2  LYS  43           1HZ      LYS  43 -11.870  -9.980  14.305
  338    HZ3  LYS  43           2HZ      LYS  43 -12.172 -11.611  14.642
  339    H    LYS  44           H        LYS  44  -8.734  -4.527  11.069
  340    HA   LYS  44           HA       LYS  44  -7.010  -3.407  11.989
  341    HB2  LYS  44           2HB      LYS  44  -7.430  -5.208  14.376
  342    HB3  LYS  44           1HB      LYS  44  -6.379  -3.798  14.338
  343    HG2  LYS  44           2HG      LYS  44  -8.394  -2.417  13.798
  344    HG3  LYS  44           1HG      LYS  44  -9.373  -3.861  14.072
  345    HD2  LYS  44           2HD      LYS  44  -8.511  -4.009  16.359
  346    HD3  LYS  44           1HD      LYS  44  -7.540  -2.561  16.086
  347    HE2  LYS  44           2HE      LYS  44 -10.551  -2.753  16.047
  348    HE3  LYS  44           1HE      LYS  44  -9.563  -1.989  17.289
  349    HZ1  LYS  44           3HZ      LYS  44  -8.737  -0.472  15.471
  350    HZ2  LYS  44           1HZ      LYS  44 -10.365  -0.269  15.915
  351    HZ3  LYS  44           2HZ      LYS  44  -9.977  -1.094  14.492
  352    H    LEU  45           H        LEU  45  -6.734  -6.102  10.563
  353    HA   LEU  45           HA       LEU  45  -3.968  -6.650  11.398
  354    HB2  LEU  45           2HB      LEU  45  -5.873  -8.240   9.686
  355    HB3  LEU  45           1HB      LEU  45  -4.172  -8.625   9.839
  356    HG   LEU  45           HG       LEU  45  -6.185  -8.633  12.092
  357   HD11  LEU  45          1HD1      LEU  45  -4.779 -10.895  10.671
  358   HD12  LEU  45          2HD1      LEU  45  -6.489 -10.486  10.533
  359   HD13  LEU  45          3HD1      LEU  45  -5.841 -11.056  12.070
  360   HD21  LEU  45          3HD2      LEU  45  -3.913  -7.964  12.797
  361   HD22  LEU  45          1HD2      LEU  45  -3.280  -9.455  12.100
  362   HD23  LEU  45          2HD2      LEU  45  -4.398  -9.524  13.461
  363    H    SER  46           H        SER  46  -2.366  -5.807  10.244
  364    HA   SER  46           HA       SER  46  -2.887  -4.554   7.700
  365    HB2  SER  46           2HB      SER  46  -0.387  -4.075   7.811
  366    HB3  SER  46           1HB      SER  46  -1.357  -3.394   9.115
  367    HG   SER  46           HG       SER  46   0.341  -5.664   9.184
  368    H    VAL  47           H        VAL  47  -3.069  -5.718   5.970
  369    HA   VAL  47           HA       VAL  47  -1.900  -8.366   5.806
  370    HB   VAL  47           HB       VAL  47  -3.780  -6.857   3.980
  371   HG11  VAL  47          1HG1      VAL  47  -2.424  -8.386   2.670
  372   HG12  VAL  47          2HG1      VAL  47  -4.078  -8.983   2.798
  373   HG13  VAL  47          3HG1      VAL  47  -2.804  -9.699   3.783
  374   HG21  VAL  47          3HG2      VAL  47  -5.451  -8.441   4.790
  375   HG22  VAL  47          1HG2      VAL  47  -4.746  -7.529   6.125
  376   HG23  VAL  47          2HG2      VAL  47  -4.244  -9.194   5.831
  377    H    CYS  48           H        CYS  48  -0.143  -8.902   4.583
  378    HA   CYS  48           HA       CYS  48   1.126  -6.770   3.055
  379    HB2  CYS  48           2HB      CYS  48   2.187  -9.522   3.756
  380    HB3  CYS  48           1HB      CYS  48   3.090  -8.232   2.959
  381    H    ALA  49           H        ALA  49  -0.489  -6.809   1.474
  382    HA   ALA  49           HA       ALA  49  -1.161  -9.153   0.020
  383    HB1  ALA  49           1HB      ALA  49  -2.694  -7.262   0.306
  384    HB2  ALA  49           2HB      ALA  49  -2.426  -7.629  -1.397
  385    HB3  ALA  49           3HB      ALA  49  -1.621  -6.245  -0.651
  386    H    ASN  50           H        ASN  50  -0.511  -9.831  -1.959
  387    HA   ASN  50           HA       ASN  50   2.133  -9.015  -2.767
  388    HB2  ASN  50           2HB      ASN  50   0.231 -10.993  -4.053
  389    HB3  ASN  50           1HB      ASN  50   1.908 -10.748  -4.520
  390   HD21  ASN  50          1HD2      ASN  50   0.692 -10.846  -1.202
  391   HD22  ASN  50          2HD2      ASN  50   1.504 -12.317  -0.792
  392    HA   PRO  51           HA       PRO  51   0.570  -6.129  -5.842
  393    HB2  PRO  51           2HB      PRO  51   3.329  -6.255  -6.871
  394    HB3  PRO  51           1HB      PRO  51   2.405  -4.862  -6.303
  395    HG2  PRO  51           2HG      PRO  51   4.446  -5.885  -4.871
  396    HG3  PRO  51           1HG      PRO  51   3.012  -5.187  -4.094
  397    HD2  PRO  51           2HD      PRO  51   3.726  -8.059  -4.533
  398    HD3  PRO  51           1HD      PRO  51   2.984  -7.287  -3.111
  399    H    LYS  52           H        LYS  52   1.555  -9.237  -6.046
  400    HA   LYS  52           HA       LYS  52   1.917  -9.500  -8.910
  401    HB2  LYS  52           2HB      LYS  52   1.959 -11.497  -6.638
  402    HB3  LYS  52           1HB      LYS  52   2.375 -11.870  -8.309
  403    HG2  LYS  52           2HG      LYS  52   4.225 -10.259  -8.197
  404    HG3  LYS  52           1HG      LYS  52   3.817  -9.932  -6.514
  405    HD2  LYS  52           2HD      LYS  52   4.630 -12.621  -7.619
  406    HD3  LYS  52           1HD      LYS  52   5.694 -11.520  -6.744
  407    HE2  LYS  52           2HE      LYS  52   4.225 -11.679  -4.781
  408    HE3  LYS  52           1HE      LYS  52   3.186 -12.791  -5.665
  409    HZ1  LYS  52           3HZ      LYS  52   5.092 -14.312  -5.852
  410    HZ2  LYS  52           1HZ      LYS  52   4.639 -14.030  -4.248
  411    HZ3  LYS  52           2HZ      LYS  52   6.012 -13.270  -4.880
  412    H    GLN  53           H        GLN  53  -0.672  -9.679  -6.699
  413    HA   GLN  53           HA       GLN  53  -2.073 -11.697  -8.303
  414    HB2  GLN  53           2HB      GLN  53  -3.598 -11.684  -6.176
  415    HB3  GLN  53           1HB      GLN  53  -2.058 -12.538  -6.157
  416    HG2  GLN  53           2HG      GLN  53  -1.064 -10.420  -5.211
  417    HG3  GLN  53           1HG      GLN  53  -2.712  -9.871  -4.972
  418   HE21  GLN  53          1HE2      GLN  53  -2.360  -9.756  -2.755
  419   HE22  GLN  53          2HE2      GLN  53  -2.264 -11.181  -1.777
  420    H    THR  54           H        THR  54  -4.195 -11.372  -8.940
  421    HA   THR  54           HA       THR  54  -4.615  -8.746  -9.905
  422    HB   THR  54           HB       THR  54  -6.869  -9.834 -10.637
  423    HG1  THR  54           1HG      THR  54  -7.067 -11.883 -10.176
  424   HG21  THR  54          3HG2      THR  54  -5.737 -10.849 -12.562
  425   HG22  THR  54          1HG2      THR  54  -4.201 -10.758 -11.701
  426   HG23  THR  54          2HG2      THR  54  -5.050  -9.277 -12.153
  427    H    TRP  55           H        TRP  55  -6.196 -10.616  -7.322
  428    HA   TRP  55           HA       TRP  55  -8.323  -8.843  -6.925
  429    HB2  TRP  55           2HB      TRP  55  -8.720  -9.861  -4.853
  430    HB3  TRP  55           1HB      TRP  55  -8.095 -11.120  -5.892
  431    HD1  TRP  55           HD       TRP  55  -5.825 -12.190  -5.188
  432    HE1  TRP  55           1HE      TRP  55  -4.420 -12.116  -3.097
  433    HE3  TRP  55           3HE      TRP  55  -8.013  -8.273  -3.110
  434    HZ2  TRP  55           2HZ      TRP  55  -4.270 -10.509  -0.722
  435    HZ3  TRP  55           3HZ      TRP  55  -7.251  -7.498  -1.003
  436    HH2  TRP  55           HH       TRP  55  -5.452  -8.554   0.218
  437    H    VAL  56           H        VAL  56  -5.026  -8.743  -5.978
  438    HA   VAL  56           HA       VAL  56  -5.257  -6.448  -4.295
  439    HB   VAL  56           HB       VAL  56  -2.940  -7.911  -5.518
  440   HG11  VAL  56          1HG1      VAL  56  -2.408  -5.525  -5.624
  441   HG12  VAL  56          2HG1      VAL  56  -1.423  -6.373  -4.432
  442   HG13  VAL  56          3HG1      VAL  56  -2.785  -5.380  -3.908
  443   HG21  VAL  56          3HG2      VAL  56  -3.866  -7.334  -2.722
  444   HG22  VAL  56          1HG2      VAL  56  -2.370  -8.175  -3.123
  445   HG23  VAL  56          2HG2      VAL  56  -3.925  -8.883  -3.564
  446    H    LYS  57           H        LYS  57  -4.117  -7.020  -7.623
  447    HA   LYS  57           HA       LYS  57  -3.510  -4.384  -8.278
  448    HB2  LYS  57           2HB      LYS  57  -4.611  -6.546 -10.084
  449    HB3  LYS  57           1HB      LYS  57  -3.861  -5.057 -10.633
  450    HG2  LYS  57           2HG      LYS  57  -1.759  -5.759  -9.507
  451    HG3  LYS  57           1HG      LYS  57  -2.532  -7.302  -9.123
  452    HD2  LYS  57           2HD      LYS  57  -2.893  -7.692 -11.530
  453    HD3  LYS  57           1HD      LYS  57  -2.062  -6.178 -11.886
  454    HE2  LYS  57           2HE      LYS  57  -0.835  -8.527 -10.446
  455    HE3  LYS  57           1HE      LYS  57  -0.642  -8.191 -12.164
  456    HZ1  LYS  57           3HZ      LYS  57   0.195  -5.895 -11.249
  457    HZ2  LYS  57           1HZ      LYS  57   1.232  -7.240 -11.320
  458    HZ3  LYS  57           2HZ      LYS  57   0.509  -6.804  -9.852
  459    H    TYR  58           H        TYR  58  -6.575  -6.072  -8.228
  460    HA   TYR  58           HA       TYR  58  -8.130  -4.075  -9.446
  461    HB2  TYR  58           2HB      TYR  58  -9.204  -6.123  -9.342
  462    HB3  TYR  58           1HB      TYR  58  -8.683  -6.433  -7.691
  463    HD1  TYR  58           1HD      TYR  58 -10.694  -3.742  -9.370
  464    HD2  TYR  58           2HD      TYR  58 -10.409  -6.592  -6.233
  465    HE1  TYR  58           1HE      TYR  58 -12.877  -3.013  -8.517
  466    HE2  TYR  58           2HE      TYR  58 -12.590  -5.876  -5.372
  467    HH   TYR  58           HH       TYR  58 -14.634  -3.651  -7.139
  468    H    ILE  59           H        ILE  59  -7.664  -4.857  -5.990
  469    HA   ILE  59           HA       ILE  59  -9.228  -2.706  -5.055
  470    HB   ILE  59           HB       ILE  59  -7.058  -4.220  -3.603
  471   HG12  ILE  59          2HG1      ILE  59 -10.059  -4.634  -3.634
  472   HG13  ILE  59          1HG1      ILE  59  -8.898  -5.638  -4.495
  473   HG21  ILE  59          1HG2      ILE  59  -8.169  -3.467  -1.558
  474   HG22  ILE  59          2HG2      ILE  59  -9.320  -2.537  -2.518
  475   HG23  ILE  59          3HG2      ILE  59  -7.613  -2.094  -2.517
  476   HD11  ILE  59          3HD1      ILE  59  -7.921  -6.341  -2.398
  477   HD12  ILE  59          1HD1      ILE  59  -9.652  -6.676  -2.426
  478   HD13  ILE  59          2HD1      ILE  59  -9.036  -5.298  -1.511
  479    H    VAL  60           H        VAL  60  -5.713  -3.066  -5.479
  480    HA   VAL  60           HA       VAL  60  -5.089  -0.511  -4.406
  481    HB   VAL  60           HB       VAL  60  -3.432  -2.369  -4.655
  482   HG11  VAL  60          1HG1      VAL  60  -2.266  -2.628  -6.791
  483   HG12  VAL  60          2HG1      VAL  60  -3.403  -1.511  -7.546
  484   HG13  VAL  60          3HG1      VAL  60  -3.969  -3.062  -6.928
  485   HG21  VAL  60          3HG2      VAL  60  -1.542  -0.907  -5.220
  486   HG22  VAL  60          1HG2      VAL  60  -2.701  -0.115  -4.154
  487   HG23  VAL  60          2HG2      VAL  60  -2.671   0.281  -5.872
  488    H    ARG  61           H        ARG  61  -6.183  -1.561  -7.540
  489    HA   ARG  61           HA       ARG  61  -5.550   0.834  -8.940
  490    HB2  ARG  61           2HB      ARG  61  -6.057  -1.108 -10.232
  491    HB3  ARG  61           1HB      ARG  61  -7.602  -1.328  -9.420
  492    HG2  ARG  61           2HG      ARG  61  -8.524   0.583 -10.506
  493    HG3  ARG  61           1HG      ARG  61  -6.949   1.035 -11.165
  494    HD2  ARG  61           2HD      ARG  61  -8.484  -0.071 -12.792
  495    HD3  ARG  61           1HD      ARG  61  -6.922  -0.860 -12.598
  496    HE   ARG  61           HE       ARG  61  -8.141  -2.457 -11.092
  497   HH11  ARG  61          1HH1      ARG  61  -9.826  -0.703 -13.608
  498   HH12  ARG  61          2HH1      ARG  61 -11.038  -1.925 -13.846
  499   HH21  ARG  61          1HH2      ARG  61  -9.685  -4.112 -11.449
  500   HH22  ARG  61          2HH2      ARG  61 -10.925  -3.896 -12.653
  501    H    LEU  62           H        LEU  62  -8.207  -0.201  -6.917
  502    HA   LEU  62           HA       LEU  62  -9.858   2.082  -7.405
  503    HB2  LEU  62           2HB      LEU  62  -9.819   0.081  -5.138
  504    HB3  LEU  62           1HB      LEU  62 -11.042   1.324  -5.332
  505    HG   LEU  62           HG       LEU  62 -10.509  -0.968  -7.225
  506   HD11  LEU  62          1HD1      LEU  62 -11.562  -1.627  -5.107
  507   HD12  LEU  62          2HD1      LEU  62 -12.667  -1.795  -6.470
  508   HD13  LEU  62          3HD1      LEU  62 -12.830  -0.428  -5.368
  509   HD21  LEU  62          3HD2      LEU  62 -12.503  -0.199  -8.403
  510   HD22  LEU  62          1HD2      LEU  62 -11.252   1.045  -8.402
  511   HD23  LEU  62          2HD2      LEU  62 -12.630   1.180  -7.309
  512    H    LEU  63           H        LEU  63  -7.577   1.130  -4.869
  513    HA   LEU  63           HA       LEU  63  -7.770   3.454  -3.309
  514    HB2  LEU  63           2HB      LEU  63  -5.808   1.265  -3.595
  515    HB3  LEU  63           1HB      LEU  63  -5.240   2.739  -2.834
  516    HG   LEU  63           HG       LEU  63  -5.946   1.212  -1.129
  517   HD11  LEU  63          1HD1      LEU  63  -7.991   3.397  -1.491
  518   HD12  LEU  63          2HD1      LEU  63  -6.411   3.564  -0.727
  519   HD13  LEU  63          3HD1      LEU  63  -7.645   2.547   0.016
  520   HD21  LEU  63          3HD2      LEU  63  -7.428  -0.209  -2.390
  521   HD22  LEU  63          1HD2      LEU  63  -8.585   1.109  -2.581
  522   HD23  LEU  63          2HD2      LEU  63  -8.279   0.428  -0.984
  523    H    SER  64           H        SER  64  -5.487   2.606  -5.892
  524    HA   SER  64           HA       SER  64  -4.418   5.300  -5.939
  525    HB2  SER  64           2HB      SER  64  -2.919   3.325  -6.224
  526    HB3  SER  64           1HB      SER  64  -3.758   2.938  -7.725
  527    HG   SER  64           HG       SER  64  -2.195   5.238  -7.136
  528    H    LYS  65           H        LYS  65  -6.811   5.794  -6.402
  529    HA   LYS  65           HA       LYS  65  -7.874   5.435  -8.980
  530    HB2  LYS  65           2HB      LYS  65  -9.421   7.316  -8.308
  531    HB3  LYS  65           1HB      LYS  65  -9.414   5.918  -7.245
  532    HG2  LYS  65           2HG      LYS  65  -7.921   7.123  -5.705
  533    HG3  LYS  65           1HG      LYS  65  -7.998   8.531  -6.761
  534    HD2  LYS  65           2HD      LYS  65  -9.538   8.740  -4.867
  535    HD3  LYS  65           1HD      LYS  65 -10.408   8.686  -6.403
  536    HE2  LYS  65           2HE      LYS  65 -11.467   7.297  -4.651
  537    HE3  LYS  65           1HE      LYS  65 -10.966   6.363  -6.056
  538    HZ1  LYS  65           3HZ      LYS  65  -9.307   6.580  -3.605
  539    HZ2  LYS  65           1HZ      LYS  65  -9.129   5.497  -4.897
  540    HZ3  LYS  65           2HZ      LYS  65 -10.448   5.343  -3.848
  541    H    LYS  66           H        LYS  66  -6.783   6.060 -10.648
  542    HA   LYS  66           HA       LYS  66  -5.313   8.574 -10.663
  543    HB2  LYS  66           2HB      LYS  66  -5.529   6.414 -12.771
  544    HB3  LYS  66           1HB      LYS  66  -4.420   7.780 -12.804
  545    HG2  LYS  66           2HG      LYS  66  -3.261   6.974 -10.879
  546    HG3  LYS  66           1HG      LYS  66  -4.449   5.692 -10.647
  547    HD2  LYS  66           2HD      LYS  66  -3.789   4.763 -12.854
  548    HD3  LYS  66           1HD      LYS  66  -2.518   5.984 -12.943
  549    HE2  LYS  66           2HE      LYS  66  -1.645   3.850 -12.134
  550    HE3  LYS  66           1HE      LYS  66  -1.522   5.107 -10.903
  551    HZ1  LYS  66           3HZ      LYS  66  -3.691   3.089 -11.038
  552    HZ2  LYS  66           1HZ      LYS  66  -3.445   4.223  -9.795
  553    HZ3  LYS  66           2HZ      LYS  66  -2.333   2.968 -10.043
  554    H    VAL  67           H        VAL  67  -8.315   7.334 -11.697
  555    HA   VAL  67           HA       VAL  67  -8.748   9.345 -13.711
  556    HB   VAL  67           HB       VAL  67  -9.878   7.257 -14.056
  557   HG11  VAL  67          1HG1      VAL  67 -11.606   6.410 -12.555
  558   HG12  VAL  67          2HG1      VAL  67 -11.257   7.709 -11.413
  559   HG13  VAL  67          3HG1      VAL  67 -10.036   6.483 -11.755
  560   HG21  VAL  67          3HG2      VAL  67 -12.194   8.019 -14.299
  561   HG22  VAL  67          1HG2      VAL  67 -11.036   9.238 -14.830
  562   HG23  VAL  67          2HG2      VAL  67 -11.839   9.405 -13.268
  563    H    LYS  68           H        LYS  68  -8.762  11.371 -12.989
  564    HA   LYS  68           HA       LYS  68  -9.908  11.974 -10.386
  565    HB2  LYS  68           2HB      LYS  68  -7.733  12.989 -11.301
  566    HB3  LYS  68           1HB      LYS  68  -8.769  14.008 -12.294
  567    HG2  LYS  68           2HG      LYS  68  -9.891  14.790 -10.223
  568    HG3  LYS  68           1HG      LYS  68  -8.709  13.875  -9.288
  569    HD2  LYS  68           2HD      LYS  68  -7.914  16.089  -9.339
  570    HD3  LYS  68           1HD      LYS  68  -6.932  15.206 -10.511
  571    HE2  LYS  68           2HE      LYS  68  -7.575  17.322 -11.461
  572    HE3  LYS  68           1HE      LYS  68  -8.422  16.028 -12.312
  573    HZ1  LYS  68           3HZ      LYS  68 -10.386  16.495 -10.967
  574    HZ2  LYS  68           1HZ      LYS  68  -9.900  17.873 -11.831
  575    HZ3  LYS  68           2HZ      LYS  68  -9.570  17.749 -10.174
  576    H    ASN  69           H        ASN  69 -12.020  11.342 -11.053
  577    HA   ASN  69           HA       ASN  69 -13.481  13.614 -12.208
  578    HB2  ASN  69           2HB      ASN  69 -13.391  11.763 -13.857
  579    HB3  ASN  69           1HB      ASN  69 -14.113  10.687 -12.665
  580   HD21  ASN  69          1HD2      ASN  69 -15.917  10.236 -13.814
  581   HD22  ASN  69          2HD2      ASN  69 -17.152  11.394 -14.173
  582    H    MET  70           H        MET  70 -14.646  10.532 -11.009
  583    HA   MET  70           HA       MET  70 -15.505  11.735  -8.497
  584    HB2  MET  70           2HB      MET  70 -17.423  12.017 -10.006
  585    HB3  MET  70           1HB      MET  70 -17.377  10.303 -10.397
  586    HG2  MET  70           2HG      MET  70 -19.134  10.730  -8.817
  587    HG3  MET  70           1HG      MET  70 -17.870   9.769  -8.052
  588    HE1  MET  70           3HE      MET  70 -20.088  11.213  -6.323
  589    HE2  MET  70           1HE      MET  70 -19.089  11.893  -5.036
  590    HE3  MET  70           2HE      MET  70 -18.752  10.276  -5.652
  Start of MODEL    7
    1    H1   ALA   1           1HT      ALA   1  19.839   5.259   4.905
    2    H2   ALA   1           2HT      ALA   1  18.731   5.424   3.630
    3    H3   ALA   1           3HT      ALA   1  19.030   3.897   4.301
    4    HA   ALA   1           HA       ALA   1  18.100   4.601   6.401
    5    HB1  ALA   1           1HB      ALA   1  16.933   6.729   6.564
    6    HB2  ALA   1           2HB      ALA   1  17.428   7.139   4.921
    7    HB3  ALA   1           3HB      ALA   1  18.639   6.976   6.193
    8    H    SER   2           H        SER   2  16.087   3.862   6.772
    9    HA   SER   2           HA       SER   2  14.366   3.498   4.403
   10    HB2  SER   2           2HB      SER   2  14.533   1.687   6.824
   11    HB3  SER   2           1HB      SER   2  13.642   1.391   5.329
   12    HG   SER   2           HG       SER   2  16.408   1.855   5.211
   13    H    ASN   3           H        ASN   3  12.563   4.699   4.540
   14    HA   ASN   3           HA       ASN   3  11.657   5.959   6.905
   15    HB2  ASN   3           2HB      ASN   3  10.236   5.373   4.294
   16    HB3  ASN   3           1HB      ASN   3   9.524   6.332   5.587
   17   HD21  ASN   3          1HD2      ASN   3  10.119   7.149   2.881
   18   HD22  ASN   3          2HD2      ASN   3  11.246   8.460   3.003
   19    H    PHE   4           H        PHE   4  10.500   3.147   5.124
   20    HA   PHE   4           HA       PHE   4   9.556   2.023   7.659
   21    HB2  PHE   4           2HB      PHE   4   7.734   0.877   6.276
   22    HB3  PHE   4           1HB      PHE   4   7.512   2.587   6.596
   23    HD1  PHE   4           1HD      PHE   4   9.130   0.424   4.025
   24    HD2  PHE   4           2HD      PHE   4   6.800   3.885   4.846
   25    HE1  PHE   4           1HE      PHE   4   8.919   0.845   1.617
   26    HE2  PHE   4           2HE      PHE   4   6.581   4.308   2.431
   27    HZ   PHE   4           HZ       PHE   4   7.645   2.774   0.821
   28    H    ASP   5           H        ASP   5   9.103  -0.467   7.201
   29    HA   ASP   5           HA       ASP   5  11.051  -1.435   5.234
   30    HB2  ASP   5           2HB      ASP   5  11.448  -3.413   6.625
   31    HB3  ASP   5           1HB      ASP   5  11.870  -1.936   7.477
   32    H    CYS   6           H        CYS   6   9.991  -2.122   3.553
   33    HA   CYS   6           HA       CYS   6   7.369  -2.825   3.275
   34    HB2  CYS   6           2HB      CYS   6   9.795  -3.864   1.806
   35    HB3  CYS   6           1HB      CYS   6   8.142  -4.083   1.251
   36    H    CYS   7           H        CYS   7   6.159  -4.677   3.537
   37    HA   CYS   7           HA       CYS   7   6.872  -6.520   5.504
   38    HB2  CYS   7           2HB      CYS   7   4.535  -5.933   4.677
   39    HB3  CYS   7           1HB      CYS   7   4.828  -7.059   3.358
   40    H    LEU   8           H        LEU   8   8.227  -8.148   5.475
   41    HA   LEU   8           HA       LEU   8   9.768  -8.775   3.221
   42    HB2  LEU   8           2HB      LEU   8   9.449 -10.284   5.816
   43    HB3  LEU   8           1HB      LEU   8  10.695 -10.604   4.628
   44    HG   LEU   8           HG       LEU   8  10.369  -8.013   6.140
   45   HD11  LEU   8          1HD1      LEU   8  11.071  -9.837   7.589
   46   HD12  LEU   8          2HD1      LEU   8  12.385  -8.690   7.334
   47   HD13  LEU   8          3HD1      LEU   8  12.382 -10.232   6.477
   48   HD21  LEU   8          3HD2      LEU   8  11.345  -7.639   3.958
   49   HD22  LEU   8          1HD2      LEU   8  12.508  -8.939   4.223
   50   HD23  LEU   8          2HD2      LEU   8  12.584  -7.474   5.200
   51    H    GLY   9           H        GLY   9   6.805 -10.180   4.373
   52    HA2  GLY   9           2HA      GLY   9   6.795 -11.830   1.970
   53    HA3  GLY   9           1HA      GLY   9   6.550 -12.654   3.496
   54    H    TYR  10           H        TYR  10   4.833 -12.193   1.129
   55    HA   TYR  10           HA       TYR  10   2.658 -10.728   2.420
   56    HB2  TYR  10           2HB      TYR  10   1.740 -11.061  -0.102
   57    HB3  TYR  10           1HB      TYR  10   2.626  -9.654   0.474
   58    HD1  TYR  10           1HD      TYR  10   3.003 -12.899  -1.220
   59    HD2  TYR  10           2HD      TYR  10   4.673  -9.085  -0.433
   60    HE1  TYR  10           1HE      TYR  10   4.762 -13.342  -2.900
   61    HE2  TYR  10           2HE      TYR  10   6.457  -9.500  -2.092
   62    HH   TYR  10           HH       TYR  10   7.562 -11.432  -3.184
   63    H    THR  11           H        THR  11   0.410 -11.554   1.589
   64    HA   THR  11           HA       THR  11   0.257 -14.176   2.850
   65    HB   THR  11           HB       THR  11  -1.003 -12.249   3.742
   66    HG1  THR  11           1HG      THR  11  -1.877 -14.691   3.420
   67   HG21  THR  11          3HG2      THR  11  -2.588 -12.455   1.186
   68   HG22  THR  11          1HG2      THR  11  -1.492 -11.141   1.615
   69   HG23  THR  11          2HG2      THR  11  -2.959 -11.409   2.557
   70    H    ASP  12           H        ASP  12  -1.120 -15.864   2.098
   71    HA   ASP  12           HA       ASP  12  -1.460 -15.982  -0.808
   72    HB2  ASP  12           2HB      ASP  12  -1.601 -18.080   1.365
   73    HB3  ASP  12           1HB      ASP  12  -2.045 -18.405  -0.306
   74    H    ARG  13           H        ARG  13  -3.238 -14.255  -0.151
   75    HA   ARG  13           HA       ARG  13  -5.760 -15.723   0.194
   76    HB2  ARG  13           2HB      ARG  13  -4.695 -13.501   1.747
   77    HB3  ARG  13           1HB      ARG  13  -6.324 -13.198   1.130
   78    HG2  ARG  13           2HG      ARG  13  -7.175 -15.129   2.226
   79    HG3  ARG  13           1HG      ARG  13  -5.557 -15.732   2.580
   80    HD2  ARG  13           2HD      ARG  13  -6.667 -13.172   3.715
   81    HD3  ARG  13           1HD      ARG  13  -6.790 -14.732   4.526
   82    HE   ARG  13           HE       ARG  13  -4.121 -13.851   3.753
   83   HH11  ARG  13          1HH1      ARG  13  -6.500 -14.225   6.307
   84   HH12  ARG  13          2HH1      ARG  13  -5.327 -14.072   7.578
   85   HH21  ARG  13          1HH2      ARG  13  -2.599 -13.638   5.438
   86   HH22  ARG  13          2HH2      ARG  13  -3.134 -13.738   7.094
   87    H    ILE  14           H        ILE  14  -7.666 -14.431  -0.396
   88    HA   ILE  14           HA       ILE  14  -7.198 -12.479  -2.548
   89    HB   ILE  14           HB       ILE  14  -9.596 -14.297  -2.203
   90   HG12  ILE  14          2HG1      ILE  14  -7.446 -15.398  -2.996
   91   HG13  ILE  14          1HG1      ILE  14  -8.850 -15.574  -4.044
   92   HG21  ILE  14          1HG2      ILE  14 -10.200 -12.167  -3.192
   93   HG22  ILE  14          2HG2      ILE  14 -10.291 -13.452  -4.397
   94   HG23  ILE  14          3HG2      ILE  14  -8.922 -12.344  -4.395
   95   HD11  ILE  14          3HD1      ILE  14  -6.597 -13.624  -4.415
   96   HD12  ILE  14          1HD1      ILE  14  -8.013 -13.774  -5.455
   97   HD13  ILE  14          2HD1      ILE  14  -6.861 -15.108  -5.333
   98    H    LEU  15           H        LEU  15  -7.081 -10.884  -0.802
   99    HA   LEU  15           HA       LEU  15  -9.414 -10.484   0.853
  100    HB2  LEU  15           2HB      LEU  15  -6.957  -8.767   0.452
  101    HB3  LEU  15           1HB      LEU  15  -8.265  -8.356   1.539
  102    HG   LEU  15           HG       LEU  15  -6.611  -9.241   2.916
  103   HD11  LEU  15          1HD1      LEU  15  -8.431 -11.563   2.320
  104   HD12  LEU  15          2HD1      LEU  15  -8.822 -10.190   3.355
  105   HD13  LEU  15          3HD1      LEU  15  -7.524 -11.292   3.808
  106   HD21  LEU  15          3HD2      LEU  15  -5.434 -11.347   2.478
  107   HD22  LEU  15          1HD2      LEU  15  -5.151 -10.143   1.222
  108   HD23  LEU  15          2HD2      LEU  15  -6.265 -11.475   0.927
  109    H    HIS  16           H        HIS  16 -10.570  -8.379   0.814
  110    HA   HIS  16           HA       HIS  16 -10.781  -7.324  -1.914
  111    HB2  HIS  16           2HB      HIS  16 -13.078  -8.275  -0.208
  112    HB3  HIS  16           1HB      HIS  16 -13.243  -7.401  -1.726
  113    HD1  HIS  16           1HD      HIS  16 -14.397 -10.197  -1.238
  114    HD2  HIS  16           2HD      HIS  16 -10.741  -9.468  -3.063
  115    HE1  HIS  16           1HE      HIS  16 -13.998 -12.144  -2.694
  116    HE2  HIS  16           2HE      HIS  16 -11.957 -11.562  -4.039
  117    HA   PRO  17           HA       PRO  17 -11.771  -3.378   0.066
  118    HB2  PRO  17           2HB      PRO  17 -14.162  -2.775  -1.219
  119    HB3  PRO  17           1HB      PRO  17 -12.559  -2.361  -1.832
  120    HG2  PRO  17           2HG      PRO  17 -14.348  -4.625  -2.574
  121    HG3  PRO  17           1HG      PRO  17 -13.268  -3.660  -3.598
  122    HD2  PRO  17           2HD      PRO  17 -12.625  -6.159  -2.792
  123    HD3  PRO  17           1HD      PRO  17 -11.401  -4.883  -2.998
  124    H    LYS  18           H        LYS  18 -13.924  -6.028  -0.321
  125    HA   LYS  18           HA       LYS  18 -16.028  -5.689   1.380
  126    HB2  LYS  18           2HB      LYS  18 -14.288  -8.111   0.905
  127    HB3  LYS  18           1HB      LYS  18 -15.791  -8.199   1.790
  128    HG2  LYS  18           2HG      LYS  18 -16.947  -7.353  -0.257
  129    HG3  LYS  18           1HG      LYS  18 -15.411  -7.519  -1.109
  130    HD2  LYS  18           2HD      LYS  18 -15.348  -9.885  -0.553
  131    HD3  LYS  18           1HD      LYS  18 -16.851  -9.727   0.352
  132    HE2  LYS  18           2HE      LYS  18 -16.518  -9.236  -2.597
  133    HE3  LYS  18           1HE      LYS  18 -17.182 -10.695  -1.872
  134    HZ1  LYS  18           3HZ      LYS  18 -18.345  -7.968  -1.860
  135    HZ2  LYS  18           1HZ      LYS  18 -18.881  -9.188  -0.806
  136    HZ3  LYS  18           2HZ      LYS  18 -19.025  -9.398  -2.480
  137    H    PHE  19           H        PHE  19 -12.656  -6.226   2.248
  138    HA   PHE  19           HA       PHE  19 -13.450  -6.299   5.086
  139    HB2  PHE  19           2HB      PHE  19 -10.995  -7.681   4.018
  140    HB3  PHE  19           1HB      PHE  19 -11.798  -7.921   5.564
  141    HD1  PHE  19           1HD      PHE  19 -14.162  -8.969   5.501
  142    HD2  PHE  19           2HD      PHE  19 -11.444  -9.079   2.231
  143    HE1  PHE  19           1HE      PHE  19 -15.396 -10.870   4.534
  144    HE2  PHE  19           2HE      PHE  19 -12.673 -10.971   1.257
  145    HZ   PHE  19           HZ       PHE  19 -14.654 -11.867   2.410
  146    H    ILE  20           H        ILE  20 -12.114  -4.379   2.886
  147    HA   ILE  20           HA       ILE  20  -9.715  -3.635   4.389
  148    HB   ILE  20           HB       ILE  20 -10.597  -3.291   1.571
  149   HG12  ILE  20          2HG1      ILE  20  -8.466  -4.036   1.026
  150   HG13  ILE  20          1HG1      ILE  20  -7.748  -3.431   2.509
  151   HG21  ILE  20          1HG2      ILE  20  -8.753  -1.294   2.877
  152   HG22  ILE  20          2HG2      ILE  20 -10.359  -0.961   2.227
  153   HG23  ILE  20          3HG2      ILE  20  -9.052  -1.445   1.146
  154   HD11  ILE  20          3HD1      ILE  20  -9.523  -5.849   2.233
  155   HD12  ILE  20          1HD1      ILE  20  -8.841  -5.248   3.744
  156   HD13  ILE  20          2HD1      ILE  20  -7.776  -5.848   2.474
  157    H    VAL  21           H        VAL  21  -9.658  -1.879   5.662
  158    HA   VAL  21           HA       VAL  21 -11.701   0.206   5.240
  159    HB   VAL  21           HB       VAL  21 -11.520   0.763   7.643
  160   HG11  VAL  21          1HG1      VAL  21 -12.335  -2.076   7.046
  161   HG12  VAL  21          2HG1      VAL  21 -13.344  -0.636   6.914
  162   HG13  VAL  21          3HG1      VAL  21 -12.778  -1.174   8.495
  163   HG21  VAL  21          3HG2      VAL  21  -9.839  -1.732   7.785
  164   HG22  VAL  21          1HG2      VAL  21 -10.466  -0.846   9.175
  165   HG23  VAL  21          2HG2      VAL  21  -9.303  -0.081   8.091
  166    H    GLY  22           H        GLY  22  -8.460  -0.549   5.076
  167    HA2  GLY  22           2HA      GLY  22  -7.757   2.222   4.631
  168    HA3  GLY  22           1HA      GLY  22  -6.953   1.497   6.019
  169    H    PHE  23           H        PHE  23  -5.590   2.463   3.729
  170    HA   PHE  23           HA       PHE  23  -4.279   0.004   2.854
  171    HB2  PHE  23           2HB      PHE  23  -5.613   0.098   1.043
  172    HB3  PHE  23           1HB      PHE  23  -5.891   1.826   1.184
  173    HD1  PHE  23           2HD      PHE  23  -3.581  -0.760   0.028
  174    HD2  PHE  23           1HD      PHE  23  -4.539   3.374   0.101
  175    HE1  PHE  23           2HE      PHE  23  -1.912  -0.356  -1.736
  176    HE2  PHE  23           1HE      PHE  23  -2.883   3.792  -1.680
  177    HZ   PHE  23           HZ       PHE  23  -1.582   1.912  -2.564
  178    H    THR  24           H        THR  24  -2.236   0.169   2.880
  179    HA   THR  24           HA       THR  24  -0.920   2.764   2.484
  180    HB   THR  24           HB       THR  24   0.013   0.590   4.377
  181    HG1  THR  24           1HG      THR  24  -1.090   3.162   4.980
  182   HG21  THR  24          3HG2      THR  24   1.043   3.393   3.931
  183   HG22  THR  24          1HG2      THR  24   1.829   1.912   3.383
  184   HG23  THR  24          2HG2      THR  24   1.661   2.236   5.109
  185    H    ARG  25           H        ARG  25   0.946   2.599   1.117
  186    HA   ARG  25           HA       ARG  25   1.542  -0.139   0.249
  187    HB2  ARG  25           2HB      ARG  25   1.829   0.581  -2.050
  188    HB3  ARG  25           1HB      ARG  25   0.207   0.944  -1.485
  189    HG2  ARG  25           2HG      ARG  25   0.828   3.287  -1.197
  190    HG3  ARG  25           1HG      ARG  25   2.465   2.915  -1.749
  191    HD2  ARG  25           2HD      ARG  25  -0.097   2.747  -3.324
  192    HD3  ARG  25           1HD      ARG  25   1.277   3.812  -3.606
  193    HE   ARG  25           HE       ARG  25   2.109   1.127  -3.744
  194   HH11  ARG  25          1HH1      ARG  25   0.203   3.453  -5.524
  195   HH12  ARG  25          2HH1      ARG  25   0.562   2.755  -7.068
  196   HH21  ARG  25          1HH2      ARG  25   2.564   0.161  -5.756
  197   HH22  ARG  25          2HH2      ARG  25   1.921   0.875  -7.205
  198    H    GLN  26           H        GLN  26   3.559  -0.714   0.578
  199    HA   GLN  26           HA       GLN  26   5.573   1.387   0.888
  200    HB2  GLN  26           2HB      GLN  26   7.016  -0.433   1.813
  201    HB3  GLN  26           1HB      GLN  26   5.577  -0.087   2.741
  202    HG2  GLN  26           2HG      GLN  26   5.369  -2.227   0.770
  203    HG3  GLN  26           1HG      GLN  26   6.389  -2.530   2.161
  204   HE21  GLN  26          1HE2      GLN  26   5.474  -2.616   4.204
  205   HE22  GLN  26          2HE2      GLN  26   3.771  -2.779   4.442
  206    H    LEU  27           H        LEU  27   7.017   1.782  -0.615
  207    HA   LEU  27           HA       LEU  27   7.089  -0.005  -2.943
  208    HB2  LEU  27           2HB      LEU  27   7.918   2.892  -2.714
  209    HB3  LEU  27           1HB      LEU  27   7.895   1.943  -4.187
  210    HG   LEU  27           HG       LEU  27   5.471   2.721  -2.561
  211   HD11  LEU  27          1HD1      LEU  27   4.923   4.115  -4.507
  212   HD12  LEU  27          2HD1      LEU  27   6.478   3.694  -5.229
  213   HD13  LEU  27          3HD1      LEU  27   6.422   4.618  -3.728
  214   HD21  LEU  27          3HD2      LEU  27   4.186   1.785  -4.401
  215   HD22  LEU  27          1HD2      LEU  27   5.202   0.552  -3.654
  216   HD23  LEU  27          2HD2      LEU  27   5.673   1.268  -5.196
  217    H    ALA  28           H        ALA  28   9.153  -0.263  -4.049
  218    HA   ALA  28           HA       ALA  28  11.285  -0.828  -2.200
  219    HB1  ALA  28           1HB      ALA  28  10.756  -2.309  -4.091
  220    HB2  ALA  28           2HB      ALA  28  12.426  -1.746  -4.142
  221    HB3  ALA  28           3HB      ALA  28  11.220  -1.029  -5.209
  222    H    ASN  29           H        ASN  29  10.593   1.923  -2.388
  223    HA   ASN  29           HA       ASN  29  12.939   3.096  -3.731
  224    HB2  ASN  29           2HB      ASN  29  10.146   4.166  -3.363
  225    HB3  ASN  29           1HB      ASN  29  11.502   5.221  -3.738
  226   HD21  ASN  29          1HD2      ASN  29  11.269   1.979  -5.033
  227   HD22  ASN  29          2HD2      ASN  29  10.943   2.456  -6.667
  228    H    GLU  30           H        GLU  30  11.075   2.874  -0.802
  229    HA   GLU  30           HA       GLU  30  12.522   5.153   0.345
  230    HB2  GLU  30           2HB      GLU  30   9.958   3.824   1.234
  231    HB3  GLU  30           1HB      GLU  30  10.715   5.189   2.046
  232    HG2  GLU  30           2HG      GLU  30  10.478   6.484  -0.064
  233    HG3  GLU  30           1HG      GLU  30   9.557   5.139  -0.732
  234    H    GLY  31           H        GLY  31  13.654   2.428   0.118
  235    HA2  GLY  31           2HA      GLY  31  15.392   2.175   1.982
  236    HA3  GLY  31           1HA      GLY  31  13.988   1.856   2.991
  237    H    CYS  32           H        CYS  32  12.479   0.156   1.846
  238    HA   CYS  32           HA       CYS  32  13.925  -2.283   1.806
  239    HB2  CYS  32           2HB      CYS  32  11.463  -2.975   0.890
  240    HB3  CYS  32           1HB      CYS  32  11.854  -2.744   2.594
  241    H    ASP  33           H        ASP  33  14.560  -3.562   0.125
  242    HA   ASP  33           HA       ASP  33  14.579  -2.427  -2.538
  243    HB2  ASP  33           2HB      ASP  33  15.343  -5.230  -2.433
  244    HB3  ASP  33           1HB      ASP  33  16.308  -3.833  -2.892
  245    H    ILE  34           H        ILE  34  12.627  -4.525  -0.715
  246    HA   ILE  34           HA       ILE  34  11.245  -5.545  -3.082
  247    HB   ILE  34           HB       ILE  34  10.128  -7.089  -1.672
  248   HG12  ILE  34          2HG1      ILE  34  11.156  -5.548   0.727
  249   HG13  ILE  34          1HG1      ILE  34   9.507  -5.466   0.112
  250   HG21  ILE  34          1HG2      ILE  34  11.923  -8.219  -0.474
  251   HG22  ILE  34          2HG2      ILE  34  12.904  -6.755  -0.543
  252   HG23  ILE  34          3HG2      ILE  34  12.493  -7.615  -2.029
  253   HD11  ILE  34          3HD1      ILE  34   9.701  -6.941   2.053
  254   HD12  ILE  34          1HD1      ILE  34  10.849  -7.943   1.165
  255   HD13  ILE  34          2HD1      ILE  34   9.180  -7.813   0.609
  256    H    ASN  35           H        ASN  35   8.732  -5.528  -2.743
  257    HA   ASN  35           HA       ASN  35   7.851  -3.157  -1.322
  258    HB2  ASN  35           2HB      ASN  35   6.539  -2.332  -3.241
  259    HB3  ASN  35           1HB      ASN  35   8.266  -2.293  -3.565
  260   HD21  ASN  35          1HD2      ASN  35   9.129  -3.670  -5.097
  261   HD22  ASN  35          2HD2      ASN  35   8.145  -4.542  -6.223
  262    H    ALA  36           H        ALA  36   5.736  -3.219  -0.664
  263    HA   ALA  36           HA       ALA  36   4.122  -5.567  -1.409
  264    HB1  ALA  36           1HB      ALA  36   3.615  -6.073   0.935
  265    HB2  ALA  36           2HB      ALA  36   4.755  -4.832   1.459
  266    HB3  ALA  36           3HB      ALA  36   5.337  -6.258   0.597
  267    H    ILE  37           H        ILE  37   1.901  -5.328  -0.200
  268    HA   ILE  37           HA       ILE  37   1.130  -2.478  -0.096
  269    HB   ILE  37           HB       ILE  37  -0.584  -4.800  -1.009
  270   HG12  ILE  37          2HG1      ILE  37   1.154  -4.204  -2.660
  271   HG13  ILE  37          1HG1      ILE  37  -0.463  -3.832  -3.241
  272   HG21  ILE  37          1HG2      ILE  37  -1.167  -1.844  -0.914
  273   HG22  ILE  37          2HG2      ILE  37  -1.891  -3.092   0.100
  274   HG23  ILE  37          3HG2      ILE  37  -2.214  -3.069  -1.634
  275   HD11  ILE  37          3HD1      ILE  37  -0.115  -1.477  -2.720
  276   HD12  ILE  37          1HD1      ILE  37   1.121  -2.082  -3.821
  277   HD13  ILE  37          2HD1      ILE  37   1.501  -1.843  -2.115
  278    H    ILE  38           H        ILE  38   0.130  -1.861   1.788
  279    HA   ILE  38           HA       ILE  38  -0.542  -3.993   3.700
  280    HB   ILE  38           HB       ILE  38  -0.238  -1.027   4.231
  281   HG12  ILE  38          2HG1      ILE  38   1.566  -3.326   5.012
  282   HG13  ILE  38          1HG1      ILE  38   1.901  -2.179   3.718
  283   HG21  ILE  38          1HG2      ILE  38  -0.401  -1.649   6.593
  284   HG22  ILE  38          2HG2      ILE  38  -0.641  -3.335   6.138
  285   HG23  ILE  38          3HG2      ILE  38  -1.853  -2.127   5.714
  286   HD11  ILE  38          3HD1      ILE  38   1.637  -1.536   6.641
  287   HD12  ILE  38          1HD1      ILE  38   1.941  -0.365   5.358
  288   HD13  ILE  38          2HD1      ILE  38   3.137  -1.614   5.715
  289    H    PHE  39           H        PHE  39  -2.566  -4.619   3.091
  290    HA   PHE  39           HA       PHE  39  -4.642  -2.566   2.951
  291    HB2  PHE  39           2HB      PHE  39  -4.669  -5.542   2.482
  292    HB3  PHE  39           1HB      PHE  39  -6.158  -4.619   2.638
  293    HD1  PHE  39           1HD      PHE  39  -5.255  -2.105   1.152
  294    HD2  PHE  39           2HD      PHE  39  -4.845  -6.259   0.271
  295    HE1  PHE  39           1HE      PHE  39  -5.182  -1.587  -1.268
  296    HE2  PHE  39           2HE      PHE  39  -4.754  -5.739  -2.129
  297    HZ   PHE  39           HZ       PHE  39  -4.928  -3.419  -2.890
  298    H    HIS  40           H        HIS  40  -5.505  -1.867   4.754
  299    HA   HIS  40           HA       HIS  40  -5.112  -3.362   7.220
  300    HB2  HIS  40           2HB      HIS  40  -6.416  -0.650   6.857
  301    HB3  HIS  40           1HB      HIS  40  -5.845  -1.350   8.364
  302    HD1  HIS  40           1HD      HIS  40  -3.631  -0.479   9.099
  303    HD2  HIS  40           2HD      HIS  40  -4.118  -0.224   4.978
  304    HE1  HIS  40           1HE      HIS  40  -1.580   0.699   8.221
  305    HE2  HIS  40           2HE      HIS  40  -2.046   1.091   5.796
  306    H    THR  41           H        THR  41  -6.588  -4.817   7.789
  307    HA   THR  41           HA       THR  41  -9.207  -4.823   6.595
  308    HB   THR  41           HB       THR  41  -9.564  -6.885   7.938
  309    HG1  THR  41           1HG      THR  41  -6.813  -6.694   8.621
  310   HG21  THR  41          3HG2      THR  41  -7.031  -6.818   6.297
  311   HG22  THR  41          1HG2      THR  41  -8.668  -7.017   5.674
  312   HG23  THR  41          2HG2      THR  41  -7.958  -8.264   6.699
  313    H    LYS  42           H        LYS  42 -11.164  -5.054   7.823
  314    HA   LYS  42           HA       LYS  42 -11.455  -3.086   9.850
  315    HB2  LYS  42           2HB      LYS  42 -13.209  -3.944   8.171
  316    HB3  LYS  42           1HB      LYS  42 -13.439  -5.287   9.282
  317    HG2  LYS  42           2HG      LYS  42 -14.036  -3.718  11.059
  318    HG3  LYS  42           1HG      LYS  42 -13.812  -2.373   9.942
  319    HD2  LYS  42           2HD      LYS  42 -15.572  -3.375   8.489
  320    HD3  LYS  42           1HD      LYS  42 -15.859  -4.575   9.750
  321    HE2  LYS  42           2HE      LYS  42 -16.114  -1.588  10.084
  322    HE3  LYS  42           1HE      LYS  42 -17.456  -2.710   9.859
  323    HZ1  LYS  42           3HZ      LYS  42 -17.106  -2.109  12.192
  324    HZ2  LYS  42           1HZ      LYS  42 -15.543  -2.764  12.140
  325    HZ3  LYS  42           2HZ      LYS  42 -16.896  -3.772  11.937
  326    H    LYS  43           H        LYS  43 -10.123  -6.084   9.955
  327    HA   LYS  43           HA       LYS  43 -10.957  -6.679  12.664
  328    HB2  LYS  43           2HB      LYS  43  -9.157  -8.174  10.758
  329    HB3  LYS  43           1HB      LYS  43  -9.494  -8.695  12.404
  330    HG2  LYS  43           2HG      LYS  43 -11.928  -8.736  11.781
  331    HG3  LYS  43           1HG      LYS  43 -11.420  -8.482  10.109
  332    HD2  LYS  43           2HD      LYS  43 -10.081 -10.533  10.213
  333    HD3  LYS  43           1HD      LYS  43 -10.593 -10.780  11.885
  334    HE2  LYS  43           2HE      LYS  43 -12.940 -10.870  11.094
  335    HE3  LYS  43           1HE      LYS  43 -12.353 -10.752   9.436
  336    HZ1  LYS  43           3HZ      LYS  43 -11.777 -12.944  11.360
  337    HZ2  LYS  43           1HZ      LYS  43 -11.121 -12.826   9.798
  338    HZ3  LYS  43           2HZ      LYS  43 -12.790 -13.032  10.006
  339    H    LYS  44           H        LYS  44  -8.998  -4.528  11.435
  340    HA   LYS  44           HA       LYS  44  -7.351  -3.218  12.289
  341    HB2  LYS  44           2HB      LYS  44  -7.245  -5.089  14.660
  342    HB3  LYS  44           1HB      LYS  44  -6.571  -3.469  14.568
  343    HG2  LYS  44           2HG      LYS  44  -8.775  -2.506  14.455
  344    HG3  LYS  44           1HG      LYS  44  -9.507  -4.108  14.377
  345    HD2  LYS  44           2HD      LYS  44  -7.983  -2.921  16.693
  346    HD3  LYS  44           1HD      LYS  44  -9.713  -3.256  16.626
  347    HE2  LYS  44           2HE      LYS  44  -7.467  -5.271  16.577
  348    HE3  LYS  44           1HE      LYS  44  -8.594  -4.981  17.900
  349    HZ1  LYS  44           3HZ      LYS  44 -10.396  -5.768  16.474
  350    HZ2  LYS  44           1HZ      LYS  44  -9.192  -6.950  16.644
  351    HZ3  LYS  44           2HZ      LYS  44  -9.297  -6.046  15.215
  352    H    LEU  45           H        LEU  45  -7.023  -6.077  11.025
  353    HA   LEU  45           HA       LEU  45  -4.209  -6.510  11.678
  354    HB2  LEU  45           2HB      LEU  45  -6.083  -8.135   9.952
  355    HB3  LEU  45           1HB      LEU  45  -4.437  -8.573  10.354
  356    HG   LEU  45           HG       LEU  45  -6.705  -8.328  12.324
  357   HD11  LEU  45          1HD1      LEU  45  -6.545 -10.767  12.481
  358   HD12  LEU  45          2HD1      LEU  45  -5.334 -10.766  11.200
  359   HD13  LEU  45          3HD1      LEU  45  -6.983 -10.243  10.855
  360   HD21  LEU  45          3HD2      LEU  45  -4.539  -7.761  13.297
  361   HD22  LEU  45          1HD2      LEU  45  -3.873  -9.285  12.707
  362   HD23  LEU  45          2HD2      LEU  45  -5.149  -9.292  13.925
  363    H    SER  46           H        SER  46  -2.714  -5.570  10.475
  364    HA   SER  46           HA       SER  46  -3.322  -4.484   7.885
  365    HB2  SER  46           2HB      SER  46  -0.685  -4.126   8.054
  366    HB3  SER  46           1HB      SER  46  -1.816  -3.108   8.945
  367    HG   SER  46           HG       SER  46   0.102  -4.308  10.046
  368    H    VAL  47           H        VAL  47  -3.564  -5.864   6.260
  369    HA   VAL  47           HA       VAL  47  -2.146  -8.389   6.247
  370    HB   VAL  47           HB       VAL  47  -4.196  -7.251   4.340
  371   HG11  VAL  47          1HG1      VAL  47  -4.357  -9.519   3.431
  372   HG12  VAL  47          2HG1      VAL  47  -3.017 -10.027   4.459
  373   HG13  VAL  47          3HG1      VAL  47  -2.751  -8.833   3.186
  374   HG21  VAL  47          3HG2      VAL  47  -4.424  -9.356   6.487
  375   HG22  VAL  47          1HG2      VAL  47  -5.704  -8.879   5.373
  376   HG23  VAL  47          2HG2      VAL  47  -5.086  -7.722   6.553
  377    H    CYS  48           H        CYS  48  -0.375  -8.837   5.065
  378    HA   CYS  48           HA       CYS  48   0.744  -6.748   3.424
  379    HB2  CYS  48           2HB      CYS  48   1.815  -9.535   3.934
  380    HB3  CYS  48           1HB      CYS  48   2.684  -8.199   3.194
  381    H    ALA  49           H        ALA  49  -0.561  -6.524   1.747
  382    HA   ALA  49           HA       ALA  49  -1.565  -8.653   0.153
  383    HB1  ALA  49           1HB      ALA  49  -2.667  -6.456   0.367
  384    HB2  ALA  49           2HB      ALA  49  -2.322  -6.859  -1.315
  385    HB3  ALA  49           3HB      ALA  49  -1.301  -5.705  -0.456
  386    H    ASN  50           H        ASN  50  -0.829  -9.347  -1.872
  387    HA   ASN  50           HA       ASN  50   2.054  -9.216  -2.086
  388    HB2  ASN  50           2HB      ASN  50   0.414 -10.618  -4.157
  389    HB3  ASN  50           1HB      ASN  50   1.963 -11.073  -3.463
  390   HD21  ASN  50          1HD2      ASN  50   0.542 -10.616  -0.711
  391   HD22  ASN  50          2HD2      ASN  50  -0.273 -12.134  -0.496
  392    HA   PRO  51           HA       PRO  51   1.839  -6.551  -5.697
  393    HB2  PRO  51           2HB      PRO  51   4.518  -7.016  -6.396
  394    HB3  PRO  51           1HB      PRO  51   3.896  -5.667  -5.447
  395    HG2  PRO  51           2HG      PRO  51   5.569  -7.721  -4.525
  396    HG3  PRO  51           1HG      PRO  51   4.682  -6.563  -3.524
  397    HD2  PRO  51           2HD      PRO  51   4.031  -9.387  -4.182
  398    HD3  PRO  51           1HD      PRO  51   3.656  -8.438  -2.724
  399    H    LYS  52           H        LYS  52   0.978  -9.295  -6.072
  400    HA   LYS  52           HA       LYS  52   2.073  -9.834  -8.756
  401    HB2  LYS  52           2HB      LYS  52   1.443 -11.936  -6.676
  402    HB3  LYS  52           1HB      LYS  52   1.959 -12.247  -8.327
  403    HG2  LYS  52           2HG      LYS  52   4.117 -11.277  -7.877
  404    HG3  LYS  52           1HG      LYS  52   3.601 -10.818  -6.252
  405    HD2  LYS  52           2HD      LYS  52   3.276 -13.184  -5.695
  406    HD3  LYS  52           1HD      LYS  52   3.814 -13.637  -7.313
  407    HE2  LYS  52           2HE      LYS  52   5.491 -12.068  -5.367
  408    HE3  LYS  52           1HE      LYS  52   5.552 -13.822  -5.516
  409    HZ1  LYS  52           3HZ      LYS  52   6.442 -13.686  -7.641
  410    HZ2  LYS  52           1HZ      LYS  52   7.256 -12.465  -6.793
  411    HZ3  LYS  52           2HZ      LYS  52   5.993 -12.063  -7.855
  412    H    GLN  53           H        GLN  53  -0.237 -11.651  -6.861
  413    HA   GLN  53           HA       GLN  53  -2.195 -12.196  -8.598
  414    HB2  GLN  53           2HB      GLN  53  -3.670 -11.711  -6.339
  415    HB3  GLN  53           1HB      GLN  53  -2.782 -13.189  -6.688
  416    HG2  GLN  53           2HG      GLN  53  -2.276 -12.418  -4.454
  417    HG3  GLN  53           1HG      GLN  53  -0.848 -12.315  -5.459
  418   HE21  GLN  53          1HE2      GLN  53  -3.048 -10.641  -3.518
  419   HE22  GLN  53          2HE2      GLN  53  -2.360  -9.067  -3.695
  420    H    THR  54           H        THR  54  -4.036 -11.370  -9.429
  421    HA   THR  54           HA       THR  54  -3.921  -8.572  -9.969
  422    HB   THR  54           HB       THR  54  -6.175  -9.274 -11.191
  423    HG1  THR  54           1HG      THR  54  -5.756 -11.566 -11.837
  424   HG21  THR  54          3HG2      THR  54  -4.136  -8.502 -12.280
  425   HG22  THR  54          1HG2      THR  54  -4.794  -9.902 -13.127
  426   HG23  THR  54          2HG2      THR  54  -3.399 -10.091 -12.063
  427    H    TRP  55           H        TRP  55  -5.697 -10.409  -7.642
  428    HA   TRP  55           HA       TRP  55  -7.893  -8.671  -7.394
  429    HB2  TRP  55           2HB      TRP  55  -8.330  -9.659  -5.272
  430    HB3  TRP  55           1HB      TRP  55  -7.864 -10.911  -6.404
  431    HD1  TRP  55           HD       TRP  55  -5.569 -12.131  -5.916
  432    HE1  TRP  55           1HE      TRP  55  -4.140 -12.326  -3.854
  433    HE3  TRP  55           3HE      TRP  55  -7.499  -8.309  -3.413
  434    HZ2  TRP  55           2HZ      TRP  55  -3.816 -10.942  -1.416
  435    HZ3  TRP  55           3HZ      TRP  55  -6.605  -7.758  -1.309
  436    HH2  TRP  55           HH       TRP  55  -4.821  -9.005  -0.258
  437    H    VAL  56           H        VAL  56  -4.650  -8.588  -6.210
  438    HA   VAL  56           HA       VAL  56  -5.026  -6.316  -4.546
  439    HB   VAL  56           HB       VAL  56  -2.782  -7.962  -5.418
  440   HG11  VAL  56          1HG1      VAL  56  -2.083  -5.871  -6.501
  441   HG12  VAL  56          2HG1      VAL  56  -1.036  -6.309  -5.153
  442   HG13  VAL  56          3HG1      VAL  56  -2.240  -5.035  -4.957
  443   HG21  VAL  56          3HG2      VAL  56  -3.309  -6.232  -3.018
  444   HG22  VAL  56          1HG2      VAL  56  -1.992  -7.394  -3.173
  445   HG23  VAL  56          2HG2      VAL  56  -3.665  -7.953  -3.179
  446    H    LYS  57           H        LYS  57  -3.857  -6.794  -7.859
  447    HA   LYS  57           HA       LYS  57  -3.254  -4.161  -8.501
  448    HB2  LYS  57           2HB      LYS  57  -4.366  -6.324 -10.306
  449    HB3  LYS  57           1HB      LYS  57  -3.647  -4.823 -10.868
  450    HG2  LYS  57           2HG      LYS  57  -1.524  -5.454  -9.795
  451    HG3  LYS  57           1HG      LYS  57  -2.252  -6.983  -9.306
  452    HD2  LYS  57           2HD      LYS  57  -2.651  -7.522 -11.686
  453    HD3  LYS  57           1HD      LYS  57  -1.843  -6.020 -12.133
  454    HE2  LYS  57           2HE      LYS  57  -0.561  -8.242 -10.548
  455    HE3  LYS  57           1HE      LYS  57  -0.388  -8.036 -12.290
  456    HZ1  LYS  57           3HZ      LYS  57   0.774  -6.035 -12.003
  457    HZ2  LYS  57           1HZ      LYS  57   1.450  -7.099 -10.870
  458    HZ3  LYS  57           2HZ      LYS  57   0.353  -5.904 -10.370
  459    H    TYR  58           H        TYR  58  -6.348  -5.826  -8.464
  460    HA   TYR  58           HA       TYR  58  -7.864  -3.725  -9.593
  461    HB2  TYR  58           2HB      TYR  58  -8.895  -5.828  -9.604
  462    HB3  TYR  58           1HB      TYR  58  -8.524  -6.126  -7.910
  463    HD1  TYR  58           1HD      TYR  58 -10.435  -3.638  -9.959
  464    HD2  TYR  58           2HD      TYR  58 -10.264  -6.017  -6.442
  465    HE1  TYR  58           1HE      TYR  58 -12.663  -2.829  -9.317
  466    HE2  TYR  58           2HE      TYR  58 -12.489  -5.226  -5.789
  467    HH   TYR  58           HH       TYR  58 -14.544  -3.530  -7.914
  468    H    ILE  59           H        ILE  59  -7.414  -4.719  -6.167
  469    HA   ILE  59           HA       ILE  59  -9.000  -2.632  -5.143
  470    HB   ILE  59           HB       ILE  59  -6.830  -4.129  -3.670
  471   HG12  ILE  59          2HG1      ILE  59  -9.796  -4.692  -3.682
  472   HG13  ILE  59          1HG1      ILE  59  -8.661  -5.535  -4.724
  473   HG21  ILE  59          1HG2      ILE  59  -9.191  -2.515  -2.704
  474   HG22  ILE  59          2HG2      ILE  59  -7.484  -2.120  -2.501
  475   HG23  ILE  59          3HG2      ILE  59  -8.169  -3.517  -1.673
  476   HD11  ILE  59          3HD1      ILE  59  -9.157  -6.834  -2.748
  477   HD12  ILE  59          1HD1      ILE  59  -8.616  -5.502  -1.725
  478   HD13  ILE  59          2HD1      ILE  59  -7.464  -6.342  -2.763
  479    H    VAL  60           H        VAL  60  -5.461  -2.924  -5.537
  480    HA   VAL  60           HA       VAL  60  -4.966  -0.470  -4.154
  481    HB   VAL  60           HB       VAL  60  -3.271  -2.264  -4.237
  482   HG11  VAL  60          1HG1      VAL  60  -1.870  -2.548  -6.227
  483   HG12  VAL  60          2HG1      VAL  60  -2.914  -1.446  -7.124
  484   HG13  VAL  60          3HG1      VAL  60  -3.547  -2.989  -6.551
  485   HG21  VAL  60          3HG2      VAL  60  -1.325  -0.790  -4.645
  486   HG22  VAL  60          1HG2      VAL  60  -2.579  -0.036  -3.659
  487   HG23  VAL  60          2HG2      VAL  60  -2.416   0.399  -5.359
  488    H    ARG  61           H        ARG  61  -5.531  -1.313  -7.523
  489    HA   ARG  61           HA       ARG  61  -4.741   1.208  -8.585
  490    HB2  ARG  61           2HB      ARG  61  -5.018  -0.774 -10.005
  491    HB3  ARG  61           1HB      ARG  61  -6.734  -0.818  -9.644
  492    HG2  ARG  61           2HG      ARG  61  -5.560   1.614 -10.923
  493    HG3  ARG  61           1HG      ARG  61  -5.873   0.174 -11.893
  494    HD2  ARG  61           2HD      ARG  61  -7.866   1.756 -10.276
  495    HD3  ARG  61           1HD      ARG  61  -7.767   1.650 -12.033
  496    HE   ARG  61           HE       ARG  61  -8.087  -0.941 -11.022
  497   HH11  ARG  61          1HH1      ARG  61  -9.900   2.042 -11.314
  498   HH12  ARG  61          2HH1      ARG  61 -11.443   1.251 -11.286
  499   HH21  ARG  61          1HH2      ARG  61 -10.108  -1.983 -11.014
  500   HH22  ARG  61          2HH2      ARG  61 -11.568  -1.038 -11.150
  501    H    LEU  62           H        LEU  62  -7.664  -0.051  -7.154
  502    HA   LEU  62           HA       LEU  62  -9.335   2.171  -7.783
  503    HB2  LEU  62           2HB      LEU  62 -10.161  -0.106  -7.243
  504    HB3  LEU  62           1HB      LEU  62  -9.605   0.106  -5.594
  505    HG   LEU  62           HG       LEU  62 -11.190   2.028  -5.374
  506   HD11  LEU  62          1HD1      LEU  62 -12.955   2.280  -7.029
  507   HD12  LEU  62          2HD1      LEU  62 -12.204   1.039  -8.034
  508   HD13  LEU  62          3HD1      LEU  62 -11.373   2.570  -7.751
  509   HD21  LEU  62          3HD2      LEU  62 -11.778  -0.198  -4.553
  510   HD22  LEU  62          1HD2      LEU  62 -12.435  -0.610  -6.139
  511   HD23  LEU  62          2HD2      LEU  62 -13.193   0.654  -5.173
  512    H    LEU  63           H        LEU  63  -7.271   1.276  -5.090
  513    HA   LEU  63           HA       LEU  63  -8.142   3.467  -3.450
  514    HB2  LEU  63           2HB      LEU  63  -5.978   1.419  -3.101
  515    HB3  LEU  63           1HB      LEU  63  -6.378   2.638  -1.899
  516    HG   LEU  63           HG       LEU  63  -8.297   0.545  -2.935
  517   HD11  LEU  63          1HD1      LEU  63  -8.072  -0.447  -0.703
  518   HD12  LEU  63          2HD1      LEU  63  -6.774   0.695  -0.349
  519   HD13  LEU  63          3HD1      LEU  63  -6.575  -0.500  -1.630
  520   HD21  LEU  63          3HD2      LEU  63  -9.709   1.274  -1.077
  521   HD22  LEU  63          1HD2      LEU  63  -9.426   2.575  -2.232
  522   HD23  LEU  63          2HD2      LEU  63  -8.553   2.549  -0.697
  523    H    SER  64           H        SER  64  -5.314   2.711  -5.415
  524    HA   SER  64           HA       SER  64  -4.170   5.344  -4.837
  525    HB2  SER  64           2HB      SER  64  -2.731   3.251  -4.850
  526    HB3  SER  64           1HB      SER  64  -3.032   3.141  -6.582
  527    HG   SER  64           HG       SER  64  -2.225   5.504  -6.430
  528    H    LYS  65           H        LYS  65  -6.441   5.741  -6.003
  529    HA   LYS  65           HA       LYS  65  -6.813   5.391  -8.711
  530    HB2  LYS  65           2HB      LYS  65  -8.471   7.263  -8.491
  531    HB3  LYS  65           1HB      LYS  65  -8.663   5.956  -7.332
  532    HG2  LYS  65           2HG      LYS  65  -7.437   7.341  -5.663
  533    HG3  LYS  65           1HG      LYS  65  -7.441   8.662  -6.831
  534    HD2  LYS  65           2HD      LYS  65  -9.909   8.588  -6.863
  535    HD3  LYS  65           1HD      LYS  65  -9.863   7.323  -5.630
  536    HE2  LYS  65           2HE      LYS  65  -8.658   8.874  -4.135
  537    HE3  LYS  65           1HE      LYS  65  -8.807  10.139  -5.355
  538    HZ1  LYS  65           3HZ      LYS  65 -11.271   9.821  -5.174
  539    HZ2  LYS  65           1HZ      LYS  65 -10.528  10.454  -3.787
  540    HZ3  LYS  65           2HZ      LYS  65 -10.992   8.828  -3.828
  541    H    LYS  66           H        LYS  66  -5.268   5.927 -10.094
  542    HA   LYS  66           HA       LYS  66  -4.084   8.576 -10.138
  543    HB2  LYS  66           2HB      LYS  66  -3.845   6.210 -11.998
  544    HB3  LYS  66           1HB      LYS  66  -3.021   7.739 -12.270
  545    HG2  LYS  66           2HG      LYS  66  -1.847   7.463 -10.130
  546    HG3  LYS  66           1HG      LYS  66  -2.636   5.895  -9.921
  547    HD2  LYS  66           2HD      LYS  66  -1.585   5.048 -11.918
  548    HD3  LYS  66           1HD      LYS  66  -0.897   6.634 -12.273
  549    HE2  LYS  66           2HE      LYS  66   0.414   6.504 -10.191
  550    HE3  LYS  66           1HE      LYS  66  -0.250   4.899  -9.888
  551    HZ1  LYS  66           3HZ      LYS  66   1.350   5.616 -12.288
  552    HZ2  LYS  66           1HZ      LYS  66   0.842   4.064 -11.835
  553    HZ3  LYS  66           2HZ      LYS  66   1.994   4.891 -10.902
  554    H    VAL  67           H        VAL  67  -7.008   7.404 -11.032
  555    HA   VAL  67           HA       VAL  67  -7.162   8.788 -13.599
  556    HB   VAL  67           HB       VAL  67  -7.980   6.444 -13.399
  557   HG11  VAL  67          1HG1      VAL  67  -8.886   6.487 -11.170
  558   HG12  VAL  67          2HG1      VAL  67 -10.157   6.051 -12.313
  559   HG13  VAL  67          3HG1      VAL  67 -10.092   7.683 -11.647
  560   HG21  VAL  67          3HG2      VAL  67 -10.066   6.777 -14.636
  561   HG22  VAL  67          1HG2      VAL  67  -8.802   7.876 -15.188
  562   HG23  VAL  67          2HG2      VAL  67 -10.088   8.468 -14.138
  563    H    LYS  68           H        LYS  68  -7.796   9.455 -10.377
  564    HA   LYS  68           HA       LYS  68  -9.711  11.534 -11.149
  565    HB2  LYS  68           2HB      LYS  68 -11.126   9.860 -10.242
  566    HB3  LYS  68           1HB      LYS  68 -10.037   9.565  -8.896
  567    HG2  LYS  68           2HG      LYS  68 -12.099  10.784  -8.283
  568    HG3  LYS  68           1HG      LYS  68 -10.617  11.642  -7.874
  569    HD2  LYS  68           2HD      LYS  68 -12.255  13.179  -8.783
  570    HD3  LYS  68           1HD      LYS  68 -10.887  13.035  -9.883
  571    HE2  LYS  68           2HE      LYS  68 -12.151  11.583 -11.334
  572    HE3  LYS  68           1HE      LYS  68 -13.495  11.549 -10.193
  573    HZ1  LYS  68           3HZ      LYS  68 -12.520  14.066 -11.431
  574    HZ2  LYS  68           1HZ      LYS  68 -13.980  13.801 -10.612
  575    HZ3  LYS  68           2HZ      LYS  68 -13.729  13.110 -12.141
  576    H    ASN  69           H        ASN  69  -8.551  13.285 -10.904
  577    HA   ASN  69           HA       ASN  69  -7.741  13.911  -8.151
  578    HB2  ASN  69           2HB      ASN  69  -5.696  13.655  -9.514
  579    HB3  ASN  69           1HB      ASN  69  -6.316  14.838 -10.661
  580   HD21  ASN  69          1HD2      ASN  69  -4.689  16.306 -10.400
  581   HD22  ASN  69          2HD2      ASN  69  -4.454  17.203  -8.934
  582    H    MET  70           H        MET  70  -8.491  15.261 -11.337
  583    HA   MET  70           HA       MET  70  -9.621  17.660 -10.208
  584    HB2  MET  70           2HB      MET  70  -8.411  17.839 -12.305
  585    HB3  MET  70           1HB      MET  70  -9.453  16.635 -13.049
  586    HG2  MET  70           2HG      MET  70  -9.996  18.903 -13.771
  587    HG3  MET  70           1HG      MET  70 -11.341  18.133 -12.934
  588    HE1  MET  70           3HE      MET  70  -8.608  21.254 -10.898
  589    HE2  MET  70           1HE      MET  70  -8.428  20.819 -12.600
  590    HE3  MET  70           2HE      MET  70  -8.104  19.625 -11.342
  Start of MODEL    8
    1    H1   ALA   1           1HT      ALA   1  18.495   6.166   5.264
    2    H2   ALA   1           2HT      ALA   1  18.958   6.899   6.724
    3    H3   ALA   1           3HT      ALA   1  17.680   7.549   5.818
    4    HA   ALA   1           HA       ALA   1  17.698   4.887   7.118
    5    HB1  ALA   1           1HB      ALA   1  17.590   6.713   8.739
    6    HB2  ALA   1           2HB      ALA   1  16.063   5.836   8.663
    7    HB3  ALA   1           3HB      ALA   1  16.218   7.407   7.875
    8    H    SER   2           H        SER   2  16.235   3.523   6.341
    9    HA   SER   2           HA       SER   2  14.497   4.036   4.209
   10    HB2  SER   2           2HB      SER   2  14.182   1.935   6.377
   11    HB3  SER   2           1HB      SER   2  13.477   1.892   4.759
   12    HG   SER   2           HG       SER   2  15.396   0.631   4.950
   13    H    ASN   3           H        ASN   3  12.474   4.894   4.106
   14    HA   ASN   3           HA       ASN   3  11.320   6.315   6.229
   15    HB2  ASN   3           2HB      ASN   3  10.793   6.759   3.858
   16    HB3  ASN   3           1HB      ASN   3   9.970   5.204   3.748
   17   HD21  ASN   3          1HD2      ASN   3   8.040   6.202   3.148
   18   HD22  ASN   3          2HD2      ASN   3   7.065   7.054   4.310
   19    H    PHE   4           H        PHE   4  10.349   3.247   4.794
   20    HA   PHE   4           HA       PHE   4   9.508   2.336   7.456
   21    HB2  PHE   4           2HB      PHE   4   7.705   1.008   6.274
   22    HB3  PHE   4           1HB      PHE   4   7.454   2.743   6.328
   23    HD1  PHE   4           2HD      PHE   4   9.219   0.351   4.072
   24    HD2  PHE   4           1HD      PHE   4   6.544   3.630   4.451
   25    HE1  PHE   4           2HE      PHE   4   8.937   0.385   1.642
   26    HE2  PHE   4           1HE      PHE   4   6.256   3.677   2.006
   27    HZ   PHE   4           HZ       PHE   4   7.457   2.048   0.604
   28    H    ASP   5           H        ASP   5   9.258  -0.189   7.340
   29    HA   ASP   5           HA       ASP   5  11.174  -1.236   5.390
   30    HB2  ASP   5           2HB      ASP   5  11.763  -3.035   6.970
   31    HB3  ASP   5           1HB      ASP   5  12.170  -1.443   7.591
   32    H    CYS   6           H        CYS   6  10.178  -2.208   3.891
   33    HA   CYS   6           HA       CYS   6   7.870  -3.302   3.418
   34    HB2  CYS   6           2HB      CYS   6   9.050  -5.022   2.074
   35    HB3  CYS   6           1HB      CYS   6   9.719  -3.408   1.878
   36    H    CYS   7           H        CYS   7   6.650  -5.039   3.843
   37    HA   CYS   7           HA       CYS   7   6.881  -6.457   6.242
   38    HB2  CYS   7           2HB      CYS   7   4.765  -6.061   5.024
   39    HB3  CYS   7           1HB      CYS   7   5.295  -7.190   3.782
   40    H    LEU   8           H        LEU   8   8.001  -8.196   6.774
   41    HA   LEU   8           HA       LEU   8   9.938  -9.274   5.061
   42    HB2  LEU   8           2HB      LEU   8  10.565 -10.710   6.843
   43    HB3  LEU   8           1HB      LEU   8  10.105  -9.177   7.550
   44    HG   LEU   8           HG       LEU   8   8.161 -11.463   7.436
   45   HD11  LEU   8          1HD1      LEU   8  10.180 -10.947   9.612
   46   HD12  LEU   8          2HD1      LEU   8  10.211 -12.298   8.480
   47   HD13  LEU   8          3HD1      LEU   8   8.894 -12.153   9.643
   48   HD21  LEU   8          3HD2      LEU   8   7.378 -10.322   9.555
   49   HD22  LEU   8          1HD2      LEU   8   7.117  -9.438   8.053
   50   HD23  LEU   8          2HD2      LEU   8   8.448  -8.989   9.120
   51    H    GLY   9           H        GLY   9   6.648 -10.218   5.630
   52    HA2  GLY   9           2HA      GLY   9   7.017 -12.412   3.729
   53    HA3  GLY   9           1HA      GLY   9   6.325 -12.797   5.298
   54    H    TYR  10           H        TYR  10   5.522 -12.288   2.209
   55    HA   TYR  10           HA       TYR  10   3.214 -10.586   2.542
   56    HB2  TYR  10           2HB      TYR  10   3.884 -12.402   0.212
   57    HB3  TYR  10           1HB      TYR  10   2.672 -11.143   0.235
   58    HD1  TYR  10           2HD      TYR  10   6.332 -11.463   0.883
   59    HD2  TYR  10           1HD      TYR  10   3.180  -9.208  -0.888
   60    HE1  TYR  10           2HE      TYR  10   7.984  -9.897  -0.035
   61    HE2  TYR  10           1HE      TYR  10   4.830  -7.636  -1.820
   62    HH   TYR  10           HH       TYR  10   8.140  -8.285  -1.929
   63    H    THR  11           H        THR  11   1.145 -11.584   1.452
   64    HA   THR  11           HA       THR  11   0.523 -14.106   2.825
   65    HB   THR  11           HB       THR  11  -0.822 -12.059   3.383
   66    HG1  THR  11           1HG      THR  11  -2.051 -13.766   3.842
   67   HG21  THR  11          3HG2      THR  11  -0.813 -11.040   1.161
   68   HG22  THR  11          1HG2      THR  11  -2.456 -11.240   1.773
   69   HG23  THR  11          2HG2      THR  11  -1.826 -12.351   0.557
   70    H    ASP  12           H        ASP  12  -1.640 -14.957   1.360
   71    HA   ASP  12           HA       ASP  12  -1.328 -14.552  -1.464
   72    HB2  ASP  12           2HB      ASP  12   0.325 -16.471  -0.764
   73    HB3  ASP  12           1HB      ASP  12  -1.142 -17.437  -0.635
   74    H    ARG  13           H        ARG  13  -3.410 -13.759  -1.173
   75    HA   ARG  13           HA       ARG  13  -5.470 -15.711  -0.392
   76    HB2  ARG  13           2HB      ARG  13  -5.126 -12.872   0.577
   77    HB3  ARG  13           1HB      ARG  13  -6.628 -13.766   0.739
   78    HG2  ARG  13           2HG      ARG  13  -4.020 -14.744   1.878
   79    HG3  ARG  13           1HG      ARG  13  -5.165 -13.745   2.776
   80    HD2  ARG  13           2HD      ARG  13  -5.720 -16.451   1.570
   81    HD3  ARG  13           1HD      ARG  13  -5.494 -16.101   3.284
   82    HE   ARG  13           HE       ARG  13  -7.569 -14.481   2.344
   83   HH11  ARG  13          1HH1      ARG  13  -6.932 -17.886   2.856
   84   HH12  ARG  13          2HH1      ARG  13  -8.595 -18.278   3.170
   85   HH21  ARG  13          1HH2      ARG  13  -9.767 -15.013   2.690
   86   HH22  ARG  13          2HH2      ARG  13 -10.204 -16.650   3.064
   87    H    ILE  14           H        ILE  14  -7.679 -14.636  -0.699
   88    HA   ILE  14           HA       ILE  14  -7.697 -12.582  -2.788
   89    HB   ILE  14           HB       ILE  14  -9.658 -14.843  -2.359
   90   HG12  ILE  14          2HG1      ILE  14  -7.583 -15.082  -3.856
   91   HG13  ILE  14          1HG1      ILE  14  -9.140 -15.560  -4.524
   92   HG21  ILE  14          1HG2      ILE  14 -11.094 -13.832  -4.060
   93   HG22  ILE  14          2HG2      ILE  14 -10.040 -12.418  -4.105
   94   HG23  ILE  14          3HG2      ILE  14 -10.942 -12.800  -2.639
   95   HD11  ILE  14          3HD1      ILE  14  -7.698 -12.976  -5.035
   96   HD12  ILE  14          1HD1      ILE  14  -9.291 -13.399  -5.664
   97   HD13  ILE  14          2HD1      ILE  14  -7.870 -14.329  -6.153
   98    H    LEU  15           H        LEU  15  -7.572 -11.011  -1.046
   99    HA   LEU  15           HA       LEU  15  -9.892 -10.909   0.725
  100    HB2  LEU  15           2HB      LEU  15  -7.512  -9.058   0.516
  101    HB3  LEU  15           1HB      LEU  15  -8.870  -8.787   1.587
  102    HG   LEU  15           HG       LEU  15  -7.353  -9.703   3.031
  103   HD11  LEU  15          1HD1      LEU  15  -9.383 -11.036   3.116
  104   HD12  LEU  15          2HD1      LEU  15  -7.965 -12.005   3.518
  105   HD13  LEU  15          3HD1      LEU  15  -8.710 -12.151   1.926
  106   HD21  LEU  15          3HD2      LEU  15  -5.797 -11.520   2.484
  107   HD22  LEU  15          1HD2      LEU  15  -5.588 -10.109   1.446
  108   HD23  LEU  15          2HD2      LEU  15  -6.425 -11.536   0.833
  109    H    HIS  16           H        HIS  16 -10.870  -8.573   0.869
  110    HA   HIS  16           HA       HIS  16 -11.277  -7.613  -1.869
  111    HB2  HIS  16           2HB      HIS  16 -13.435  -8.372   0.092
  112    HB3  HIS  16           1HB      HIS  16 -13.715  -7.492  -1.402
  113    HD1  HIS  16           1HD      HIS  16 -15.059 -10.137  -0.851
  114    HD2  HIS  16           2HD      HIS  16 -11.452  -9.794  -2.877
  115    HE1  HIS  16           1HE      HIS  16 -14.962 -12.092  -2.337
  116    HE2  HIS  16           2HE      HIS  16 -12.909 -11.780  -3.754
  117    HA   PRO  17           HA       PRO  17 -11.865  -3.476  -0.104
  118    HB2  PRO  17           2HB      PRO  17 -14.530  -3.498  -1.409
  119    HB3  PRO  17           1HB      PRO  17 -13.224  -2.317  -1.551
  120    HG2  PRO  17           2HG      PRO  17 -13.805  -4.053  -3.528
  121    HG3  PRO  17           1HG      PRO  17 -12.153  -3.501  -3.209
  122    HD2  PRO  17           2HD      PRO  17 -13.419  -6.134  -2.619
  123    HD3  PRO  17           1HD      PRO  17 -11.725  -5.734  -2.991
  124    H    LYS  18           H        LYS  18 -14.264  -5.979  -0.150
  125    HA   LYS  18           HA       LYS  18 -16.063  -5.474   1.811
  126    HB2  LYS  18           2HB      LYS  18 -14.526  -8.009   1.245
  127    HB3  LYS  18           1HB      LYS  18 -15.900  -7.977   2.319
  128    HG2  LYS  18           2HG      LYS  18 -17.260  -7.144   0.379
  129    HG3  LYS  18           1HG      LYS  18 -15.856  -7.479  -0.637
  130    HD2  LYS  18           2HD      LYS  18 -15.888  -9.821   0.253
  131    HD3  LYS  18           1HD      LYS  18 -17.416  -9.438   1.043
  132    HE2  LYS  18           2HE      LYS  18 -16.972  -9.123  -1.911
  133    HE3  LYS  18           1HE      LYS  18 -17.563 -10.614  -1.183
  134    HZ1  LYS  18           3HZ      LYS  18 -19.504  -9.554  -0.448
  135    HZ2  LYS  18           1HZ      LYS  18 -19.295  -9.054  -2.051
  136    HZ3  LYS  18           2HZ      LYS  18 -18.905  -8.003  -0.778
  137    H    PHE  19           H        PHE  19 -12.643  -6.257   2.272
  138    HA   PHE  19           HA       PHE  19 -13.106  -6.304   5.188
  139    HB2  PHE  19           2HB      PHE  19 -10.869  -7.762   3.786
  140    HB3  PHE  19           1HB      PHE  19 -11.456  -7.993   5.432
  141    HD1  PHE  19           2HD      PHE  19 -14.167  -8.512   5.390
  142    HD2  PHE  19           1HD      PHE  19 -11.331  -9.489   2.376
  143    HE1  PHE  19           2HE      PHE  19 -15.651 -10.302   4.575
  144    HE2  PHE  19           1HE      PHE  19 -12.806 -11.276   1.549
  145    HZ   PHE  19           HZ       PHE  19 -14.970 -11.685   2.658
  146    H    ILE  20           H        ILE  20 -11.909  -4.354   2.907
  147    HA   ILE  20           HA       ILE  20  -9.452  -3.686   4.384
  148    HB   ILE  20           HB       ILE  20 -10.228  -3.255   1.506
  149   HG12  ILE  20          2HG1      ILE  20  -7.598  -4.310   2.446
  150   HG13  ILE  20          1HG1      ILE  20  -9.012  -5.352   2.598
  151   HG21  ILE  20          1HG2      ILE  20  -9.291  -1.148   2.269
  152   HG22  ILE  20          2HG2      ILE  20  -8.151  -1.978   1.208
  153   HG23  ILE  20          3HG2      ILE  20  -7.904  -1.997   2.953
  154   HD11  ILE  20          3HD1      ILE  20  -7.941  -4.119   0.079
  155   HD12  ILE  20          1HD1      ILE  20  -9.409  -5.091   0.192
  156   HD13  ILE  20          2HD1      ILE  20  -7.844  -5.815   0.560
  157    H    VAL  21           H        VAL  21  -9.479  -1.944   5.615
  158    HA   VAL  21           HA       VAL  21 -11.351   0.235   4.944
  159    HB   VAL  21           HB       VAL  21 -11.395   0.822   7.351
  160   HG11  VAL  21          1HG1      VAL  21 -13.169  -0.558   6.379
  161   HG12  VAL  21          2HG1      VAL  21 -12.870  -0.976   8.066
  162   HG13  VAL  21          3HG1      VAL  21 -12.250  -2.010   6.778
  163   HG21  VAL  21          3HG2      VAL  21  -9.881  -1.761   7.695
  164   HG22  VAL  21          1HG2      VAL  21 -10.602  -0.824   9.003
  165   HG23  VAL  21          2HG2      VAL  21  -9.282  -0.141   8.051
  166    H    GLY  22           H        GLY  22  -8.223  -0.616   4.900
  167    HA2  GLY  22           2HA      GLY  22  -7.327   2.131   4.777
  168    HA3  GLY  22           1HA      GLY  22  -6.602   1.179   6.069
  169    H    PHE  23           H        PHE  23  -5.157   2.302   3.887
  170    HA   PHE  23           HA       PHE  23  -3.926  -0.111   2.803
  171    HB2  PHE  23           2HB      PHE  23  -5.439   0.057   1.114
  172    HB3  PHE  23           1HB      PHE  23  -5.605   1.798   1.262
  173    HD1  PHE  23           1HD      PHE  23  -3.705  -0.935  -0.175
  174    HD2  PHE  23           2HD      PHE  23  -4.081   3.270   0.206
  175    HE1  PHE  23           1HE      PHE  23  -2.198  -0.634  -2.092
  176    HE2  PHE  23           2HE      PHE  23  -2.566   3.580  -1.728
  177    HZ   PHE  23           HZ       PHE  23  -1.650   1.604  -2.847
  178    H    THR  24           H        THR  24  -1.854   0.141   2.627
  179    HA   THR  24           HA       THR  24  -0.693   2.816   2.311
  180    HB   THR  24           HB       THR  24   0.397   0.772   4.256
  181    HG1  THR  24           1HG      THR  24  -0.984   3.213   4.802
  182   HG21  THR  24          3HG2      THR  24   1.838   2.598   4.998
  183   HG22  THR  24          1HG2      THR  24   1.119   3.671   3.797
  184   HG23  THR  24          2HG2      THR  24   2.075   2.282   3.279
  185    H    ARG  25           H        ARG  25   0.305   2.624   0.347
  186    HA   ARG  25           HA       ARG  25   1.208   0.023  -0.490
  187    HB2  ARG  25           2HB      ARG  25   1.585   0.882  -2.657
  188    HB3  ARG  25           1HB      ARG  25   0.105   1.622  -2.085
  189    HG2  ARG  25           2HG      ARG  25   2.727   3.068  -1.897
  190    HG3  ARG  25           1HG      ARG  25   1.790   3.038  -3.388
  191    HD2  ARG  25           2HD      ARG  25   0.607   3.937  -0.784
  192    HD3  ARG  25           1HD      ARG  25   1.462   5.035  -1.856
  193    HE   ARG  25           HE       ARG  25  -0.516   3.617  -3.294
  194   HH11  ARG  25          1HH1      ARG  25  -0.180   6.129  -0.906
  195   HH12  ARG  25          2HH1      ARG  25  -1.573   7.022  -1.443
  196   HH21  ARG  25          1HH2      ARG  25  -2.386   4.744  -3.996
  197   HH22  ARG  25          2HH2      ARG  25  -2.832   6.224  -3.194
  198    H    GLN  26           H        GLN  26   2.924  -0.736   0.377
  199    HA   GLN  26           HA       GLN  26   5.195   0.916   1.075
  200    HB2  GLN  26           2HB      GLN  26   4.415  -0.868   2.578
  201    HB3  GLN  26           1HB      GLN  26   4.637  -2.059   1.318
  202    HG2  GLN  26           2HG      GLN  26   6.884  -0.483   2.532
  203    HG3  GLN  26           1HG      GLN  26   6.338  -2.039   3.144
  204   HE21  GLN  26          1HE2      GLN  26   6.453  -3.847   1.698
  205   HE22  GLN  26          2HE2      GLN  26   7.721  -3.905   0.516
  206    H    LEU  27           H        LEU  27   6.874   1.255  -0.273
  207    HA   LEU  27           HA       LEU  27   6.891  -0.286  -2.778
  208    HB2  LEU  27           2HB      LEU  27   6.874   2.596  -2.254
  209    HB3  LEU  27           1HB      LEU  27   8.079   2.091  -3.421
  210    HG   LEU  27           HG       LEU  27   6.033   2.765  -4.540
  211   HD11  LEU  27          1HD1      LEU  27   6.531  -0.207  -4.651
  212   HD12  LEU  27          2HD1      LEU  27   7.343   1.039  -5.602
  213   HD13  LEU  27          3HD1      LEU  27   5.626   0.718  -5.849
  214   HD21  LEU  27          3HD2      LEU  27   4.717   0.553  -2.977
  215   HD22  LEU  27          1HD2      LEU  27   3.965   1.493  -4.265
  216   HD23  LEU  27          2HD2      LEU  27   4.448   2.282  -2.762
  217    H    ALA  28           H        ALA  28   8.882  -0.451  -3.890
  218    HA   ALA  28           HA       ALA  28  11.006  -1.149  -2.063
  219    HB1  ALA  28           1HB      ALA  28  10.288  -2.681  -3.846
  220    HB2  ALA  28           2HB      ALA  28  11.992  -2.251  -3.996
  221    HB3  ALA  28           3HB      ALA  28  10.797  -1.500  -5.052
  222    H    ASN  29           H        ASN  29  10.397   1.749  -2.804
  223    HA   ASN  29           HA       ASN  29  13.128   2.425  -3.650
  224    HB2  ASN  29           2HB      ASN  29  12.204   4.434  -4.797
  225    HB3  ASN  29           1HB      ASN  29  11.696   2.915  -5.523
  226   HD21  ASN  29          1HD2      ASN  29   9.567   2.318  -5.473
  227   HD22  ASN  29          2HD2      ASN  29   8.306   3.412  -4.993
  228    H    GLU  30           H        GLU  30  10.968   2.573  -1.163
  229    HA   GLU  30           HA       GLU  30  11.983   5.172  -0.237
  230    HB2  GLU  30           2HB      GLU  30   9.664   3.543   0.821
  231    HB3  GLU  30           1HB      GLU  30  10.193   5.094   1.459
  232    HG2  GLU  30           2HG      GLU  30   9.857   5.825  -1.059
  233    HG3  GLU  30           1HG      GLU  30   8.734   4.466  -1.040
  234    H    GLY  31           H        GLY  31  13.427   2.573  -0.241
  235    HA2  GLY  31           2HA      GLY  31  15.234   2.593   1.561
  236    HA3  GLY  31           1HA      GLY  31  13.890   2.295   2.656
  237    H    CYS  32           H        CYS  32  12.464   0.395   1.871
  238    HA   CYS  32           HA       CYS  32  14.132  -1.902   1.883
  239    HB2  CYS  32           2HB      CYS  32  11.382  -1.300   2.384
  240    HB3  CYS  32           1HB      CYS  32  11.473  -2.658   1.268
  241    H    ASP  33           H        ASP  33  14.155  -3.618   0.338
  242    HA   ASP  33           HA       ASP  33  14.161  -2.572  -2.372
  243    HB2  ASP  33           2HB      ASP  33  15.294  -5.088  -1.160
  244    HB3  ASP  33           1HB      ASP  33  15.304  -4.773  -2.893
  245    H    ILE  34           H        ILE  34  12.127  -4.482  -0.443
  246    HA   ILE  34           HA       ILE  34  10.843  -5.570  -2.856
  247    HB   ILE  34           HB       ILE  34  10.042  -7.412  -1.679
  248   HG12  ILE  34          2HG1      ILE  34  10.648  -5.999   0.933
  249   HG13  ILE  34          1HG1      ILE  34   9.050  -6.151   0.215
  250   HG21  ILE  34          1HG2      ILE  34  11.934  -8.349  -0.427
  251   HG22  ILE  34          2HG2      ILE  34  12.665  -6.745  -0.354
  252   HG23  ILE  34          3HG2      ILE  34  12.454  -7.550  -1.911
  253   HD11  ILE  34          3HD1      ILE  34   9.138  -8.560   0.471
  254   HD12  ILE  34          1HD1      ILE  34   9.407  -7.758   2.018
  255   HD13  ILE  34          2HD1      ILE  34  10.769  -8.445   1.133
  256    H    ASN  35           H        ASN  35   8.648  -5.134  -3.202
  257    HA   ASN  35           HA       ASN  35   7.562  -3.083  -1.389
  258    HB2  ASN  35           2HB      ASN  35   6.351  -2.117  -3.241
  259    HB3  ASN  35           1HB      ASN  35   8.046  -2.260  -3.687
  260   HD21  ASN  35          1HD2      ASN  35   8.637  -3.658  -5.318
  261   HD22  ASN  35          2HD2      ASN  35   7.485  -4.401  -6.373
  262    H    ALA  36           H        ALA  36   5.789  -3.501  -0.325
  263    HA   ALA  36           HA       ALA  36   4.059  -5.696  -1.265
  264    HB1  ALA  36           1HB      ALA  36   5.387  -6.469   0.628
  265    HB2  ALA  36           2HB      ALA  36   3.683  -6.340   1.068
  266    HB3  ALA  36           3HB      ALA  36   4.826  -5.104   1.595
  267    H    ILE  37           H        ILE  37   1.948  -5.207  -1.385
  268    HA   ILE  37           HA       ILE  37   1.066  -2.547  -0.772
  269    HB   ILE  37           HB       ILE  37  -0.543  -4.942  -1.680
  270   HG12  ILE  37          2HG1      ILE  37   1.230  -4.426  -3.283
  271   HG13  ILE  37          1HG1      ILE  37  -0.337  -3.975  -3.941
  272   HG21  ILE  37          1HG2      ILE  37  -1.965  -3.265  -0.739
  273   HG22  ILE  37          2HG2      ILE  37  -2.133  -3.227  -2.493
  274   HG23  ILE  37          3HG2      ILE  37  -1.166  -2.002  -1.672
  275   HD11  ILE  37          3HD1      ILE  37   1.664  -2.094  -2.721
  276   HD12  ILE  37          1HD1      ILE  37   0.102  -1.640  -3.404
  277   HD13  ILE  37          2HD1      ILE  37   1.359  -2.314  -4.443
  278    H    ILE  38           H        ILE  38   0.557  -1.977   1.282
  279    HA   ILE  38           HA       ILE  38  -0.211  -4.051   3.172
  280    HB   ILE  38           HB       ILE  38   0.150  -1.114   3.754
  281   HG12  ILE  38          2HG1      ILE  38   2.206  -2.025   2.715
  282   HG13  ILE  38          1HG1      ILE  38   2.445  -1.595   4.404
  283   HG21  ILE  38          1HG2      ILE  38  -1.029  -2.394   5.458
  284   HG22  ILE  38          2HG2      ILE  38   0.559  -1.880   6.031
  285   HG23  ILE  38          3HG2      ILE  38   0.303  -3.548   5.519
  286   HD11  ILE  38          3HD1      ILE  38   3.550  -3.679   3.834
  287   HD12  ILE  38          1HD1      ILE  38   2.002  -4.375   3.349
  288   HD13  ILE  38          2HD1      ILE  38   2.281  -3.932   5.034
  289    H    PHE  39           H        PHE  39  -2.328  -4.587   2.738
  290    HA   PHE  39           HA       PHE  39  -4.345  -2.473   2.774
  291    HB2  PHE  39           2HB      PHE  39  -4.569  -5.471   2.449
  292    HB3  PHE  39           1HB      PHE  39  -5.964  -4.414   2.590
  293    HD1  PHE  39           1HD      PHE  39  -5.087  -2.120   0.880
  294    HD2  PHE  39           2HD      PHE  39  -4.759  -6.334   0.334
  295    HE1  PHE  39           1HE      PHE  39  -5.112  -1.805  -1.574
  296    HE2  PHE  39           2HE      PHE  39  -4.768  -6.024  -2.095
  297    HZ   PHE  39           HZ       PHE  39  -4.942  -3.783  -3.046
  298    H    HIS  40           H        HIS  40  -5.162  -1.778   4.613
  299    HA   HIS  40           HA       HIS  40  -4.715  -3.324   7.051
  300    HB2  HIS  40           2HB      HIS  40  -5.943  -0.564   6.793
  301    HB3  HIS  40           1HB      HIS  40  -5.385  -1.334   8.273
  302    HD1  HIS  40           1HD      HIS  40  -3.274  -0.204   9.020
  303    HD2  HIS  40           2HD      HIS  40  -3.461  -0.621   4.892
  304    HE1  HIS  40           1HE      HIS  40  -1.166   0.847   8.112
  305    HE2  HIS  40           2HE      HIS  40  -1.444   0.817   5.627
  306    H    THR  41           H        THR  41  -6.204  -4.662   7.745
  307    HA   THR  41           HA       THR  41  -8.729  -4.698   6.354
  308    HB   THR  41           HB       THR  41  -9.047  -6.872   7.643
  309    HG1  THR  41           1HG      THR  41  -6.288  -6.989   7.961
  310   HG21  THR  41          3HG2      THR  41  -8.404  -6.790   5.284
  311   HG22  THR  41          1HG2      THR  41  -7.562  -8.097   6.121
  312   HG23  THR  41          2HG2      THR  41  -6.713  -6.598   5.747
  313    H    LYS  42           H        LYS  42 -10.713  -5.071   7.370
  314    HA   LYS  42           HA       LYS  42 -11.336  -3.259   9.452
  315    HB2  LYS  42           2HB      LYS  42 -12.789  -4.210   7.516
  316    HB3  LYS  42           1HB      LYS  42 -13.092  -5.553   8.604
  317    HG2  LYS  42           2HG      LYS  42 -14.099  -4.065  10.223
  318    HG3  LYS  42           1HG      LYS  42 -13.711  -2.670   9.209
  319    HD2  LYS  42           2HD      LYS  42 -15.074  -3.765   7.387
  320    HD3  LYS  42           1HD      LYS  42 -15.610  -4.925   8.601
  321    HE2  LYS  42           2HE      LYS  42 -15.990  -1.939   8.752
  322    HE3  LYS  42           1HE      LYS  42 -17.219  -3.100   8.258
  323    HZ1  LYS  42           3HZ      LYS  42 -15.983  -2.796  10.927
  324    HZ2  LYS  42           1HZ      LYS  42 -16.893  -4.164  10.494
  325    HZ3  LYS  42           2HZ      LYS  42 -17.613  -2.625  10.504
  326    H    LYS  43           H        LYS  43  -9.756  -6.095   9.622
  327    HA   LYS  43           HA       LYS  43 -10.949  -6.979  12.120
  328    HB2  LYS  43           2HB      LYS  43  -8.847  -8.283  10.387
  329    HB3  LYS  43           1HB      LYS  43  -9.508  -8.966  11.862
  330    HG2  LYS  43           2HG      LYS  43 -11.718  -9.056  10.844
  331    HG3  LYS  43           1HG      LYS  43 -11.064  -8.368   9.360
  332    HD2  LYS  43           2HD      LYS  43  -9.561 -10.306   9.153
  333    HD3  LYS  43           1HD      LYS  43 -10.281 -11.000  10.605
  334    HE2  LYS  43           2HE      LYS  43 -11.714 -10.380   8.026
  335    HE3  LYS  43           1HE      LYS  43 -11.226 -11.979   8.580
  336    HZ1  LYS  43           3HZ      LYS  43 -13.280 -10.198   9.760
  337    HZ2  LYS  43           1HZ      LYS  43 -12.671 -11.561  10.573
  338    HZ3  LYS  43           2HZ      LYS  43 -13.492 -11.744   9.103
  339    H    LYS  44           H        LYS  44  -9.165  -4.568  11.596
  340    HA   LYS  44           HA       LYS  44  -7.739  -3.331  12.873
  341    HB2  LYS  44           2HB      LYS  44  -7.876  -5.671  14.786
  342    HB3  LYS  44           1HB      LYS  44  -7.168  -4.108  15.156
  343    HG2  LYS  44           2HG      LYS  44 -10.049  -4.466  14.370
  344    HG3  LYS  44           1HG      LYS  44  -9.482  -4.499  16.040
  345    HD2  LYS  44           2HD      LYS  44  -9.075  -2.200  14.126
  346    HD3  LYS  44           1HD      LYS  44 -10.359  -2.286  15.334
  347    HE2  LYS  44           2HE      LYS  44  -8.547  -2.544  17.074
  348    HE3  LYS  44           1HE      LYS  44  -7.383  -2.167  15.806
  349    HZ1  LYS  44           3HZ      LYS  44  -7.923  -0.188  17.048
  350    HZ2  LYS  44           1HZ      LYS  44  -9.582  -0.409  16.757
  351    HZ3  LYS  44           2HZ      LYS  44  -8.535  -0.035  15.474
  352    H    LEU  45           H        LEU  45  -6.812  -5.419  10.926
  353    HA   LEU  45           HA       LEU  45  -4.030  -5.660  11.880
  354    HB2  LEU  45           2HB      LEU  45  -5.572  -7.625  10.181
  355    HB3  LEU  45           1HB      LEU  45  -3.868  -7.750  10.567
  356    HG   LEU  45           HG       LEU  45  -6.108  -7.865  12.586
  357   HD11  LEU  45          1HD1      LEU  45  -5.504 -10.250  12.749
  358   HD12  LEU  45          2HD1      LEU  45  -4.414 -10.044  11.377
  359   HD13  LEU  45          3HD1      LEU  45  -6.150  -9.817  11.167
  360   HD21  LEU  45          3HD2      LEU  45  -3.152  -8.381  12.869
  361   HD22  LEU  45          1HD2      LEU  45  -4.370  -8.596  14.127
  362   HD23  LEU  45          2HD2      LEU  45  -4.024  -6.984  13.504
  363    H    SER  46           H        SER  46  -2.509  -6.056   9.957
  364    HA   SER  46           HA       SER  46  -3.475  -4.691   7.541
  365    HB2  SER  46           2HB      SER  46  -0.728  -4.409   8.771
  366    HB3  SER  46           1HB      SER  46  -1.242  -3.708   7.242
  367    HG   SER  46           HG       SER  46  -1.604  -2.788   9.754
  368    H    VAL  47           H        VAL  47  -3.338  -5.908   5.816
  369    HA   VAL  47           HA       VAL  47  -1.895  -8.433   5.975
  370    HB   VAL  47           HB       VAL  47  -3.895  -7.396   3.956
  371   HG11  VAL  47          1HG1      VAL  47  -3.933  -9.647   3.030
  372   HG12  VAL  47          2HG1      VAL  47  -2.658 -10.139   4.146
  373   HG13  VAL  47          3HG1      VAL  47  -2.323  -8.941   2.896
  374   HG21  VAL  47          3HG2      VAL  47  -4.146  -9.507   6.095
  375   HG22  VAL  47          1HG2      VAL  47  -5.399  -9.051   4.938
  376   HG23  VAL  47          2HG2      VAL  47  -4.850  -7.892   6.148
  377    H    CYS  48           H        CYS  48  -0.060  -8.836   4.857
  378    HA   CYS  48           HA       CYS  48   1.082  -6.728   3.246
  379    HB2  CYS  48           2HB      CYS  48   2.239  -9.482   3.742
  380    HB3  CYS  48           1HB      CYS  48   3.096  -8.028   3.229
  381    H    ALA  49           H        ALA  49  -0.385  -6.665   1.584
  382    HA   ALA  49           HA       ALA  49  -1.208  -8.998   0.176
  383    HB1  ALA  49           1HB      ALA  49  -2.660  -7.053   0.444
  384    HB2  ALA  49           2HB      ALA  49  -2.396  -7.409  -1.263
  385    HB3  ALA  49           3HB      ALA  49  -1.541  -6.067  -0.497
  386    H    ASN  50           H        ASN  50  -0.664  -9.703  -1.836
  387    HA   ASN  50           HA       ASN  50   2.085  -9.159  -2.545
  388    HB2  ASN  50           2HB      ASN  50   0.061 -11.076  -3.709
  389    HB3  ASN  50           1HB      ASN  50   1.729 -10.955  -4.247
  390   HD21  ASN  50          1HD2      ASN  50   0.742 -10.685  -0.891
  391   HD22  ASN  50          2HD2      ASN  50   1.430 -12.201  -0.400
  392    HA   PRO  51           HA       PRO  51   0.887  -6.631  -6.030
  393    HB2  PRO  51           2HB      PRO  51   3.724  -6.525  -6.681
  394    HB3  PRO  51           1HB      PRO  51   2.658  -5.212  -6.171
  395    HG2  PRO  51           2HG      PRO  51   4.645  -6.196  -4.599
  396    HG3  PRO  51           1HG      PRO  51   3.149  -5.503  -3.948
  397    HD2  PRO  51           2HD      PRO  51   3.895  -8.383  -4.315
  398    HD3  PRO  51           1HD      PRO  51   3.075  -7.603  -2.937
  399    H    LYS  52           H        LYS  52   1.577  -9.636  -5.837
  400    HA   LYS  52           HA       LYS  52   2.316 -10.252  -8.571
  401    HB2  LYS  52           2HB      LYS  52   3.192 -11.992  -7.408
  402    HB3  LYS  52           1HB      LYS  52   2.192 -11.648  -5.998
  403    HG2  LYS  52           2HG      LYS  52   0.338 -12.815  -6.999
  404    HG3  LYS  52           1HG      LYS  52   1.290 -13.156  -8.447
  405    HD2  LYS  52           2HD      LYS  52   1.605 -15.127  -7.335
  406    HD3  LYS  52           1HD      LYS  52   2.954 -14.206  -6.672
  407    HE2  LYS  52           2HE      LYS  52   1.856 -15.312  -4.858
  408    HE3  LYS  52           1HE      LYS  52   1.491 -13.594  -4.744
  409    HZ1  LYS  52           3HZ      LYS  52  -0.687 -13.933  -5.472
  410    HZ2  LYS  52           1HZ      LYS  52  -0.422 -15.226  -4.409
  411    HZ3  LYS  52           2HZ      LYS  52  -0.360 -15.470  -6.088
  412    H    GLN  53           H        GLN  53  -0.525  -9.813  -6.676
  413    HA   GLN  53           HA       GLN  53  -2.061 -11.679  -8.339
  414    HB2  GLN  53           2HB      GLN  53  -3.654 -11.473  -6.265
  415    HB3  GLN  53           1HB      GLN  53  -2.231 -12.508  -6.198
  416    HG2  GLN  53           2HG      GLN  53  -1.018 -10.517  -5.193
  417    HG3  GLN  53           1HG      GLN  53  -2.602  -9.779  -5.001
  418   HE21  GLN  53          1HE2      GLN  53  -2.434  -9.730  -2.781
  419   HE22  GLN  53          2HE2      GLN  53  -2.504 -11.173  -1.817
  420    H    THR  54           H        THR  54  -3.956 -11.085  -9.275
  421    HA   THR  54           HA       THR  54  -4.107  -8.365 -10.035
  422    HB   THR  54           HB       THR  54  -6.325  -9.281 -11.127
  423    HG1  THR  54           1HG      THR  54  -5.652 -11.669 -11.534
  424   HG21  THR  54          3HG2      THR  54  -5.015 -10.010 -13.033
  425   HG22  THR  54          1HG2      THR  54  -3.589 -10.195 -12.013
  426   HG23  THR  54          2HG2      THR  54  -4.265  -8.591 -12.298
  427    H    TRP  55           H        TRP  55  -5.942 -10.281  -7.720
  428    HA   TRP  55           HA       TRP  55  -8.086  -8.489  -7.460
  429    HB2  TRP  55           2HB      TRP  55  -8.671  -9.579  -5.456
  430    HB3  TRP  55           1HB      TRP  55  -8.041 -10.809  -6.534
  431    HD1  TRP  55           HD       TRP  55  -5.800 -11.958  -5.809
  432    HE1  TRP  55           1HE      TRP  55  -4.528 -12.064  -3.632
  433    HE3  TRP  55           3HE      TRP  55  -8.062  -8.175  -3.558
  434    HZ2  TRP  55           2HZ      TRP  55  -4.501 -10.646  -1.167
  435    HZ3  TRP  55           3HZ      TRP  55  -7.399  -7.575  -1.366
  436    HH2  TRP  55           HH       TRP  55  -5.686  -8.750  -0.131
  437    H    VAL  56           H        VAL  56  -4.906  -8.586  -6.094
  438    HA   VAL  56           HA       VAL  56  -5.225  -6.370  -4.351
  439    HB   VAL  56           HB       VAL  56  -2.900  -7.881  -5.467
  440   HG11  VAL  56          1HG1      VAL  56  -2.682  -5.244  -4.028
  441   HG12  VAL  56          2HG1      VAL  56  -2.135  -5.606  -5.667
  442   HG13  VAL  56          3HG1      VAL  56  -1.351  -6.369  -4.283
  443   HG21  VAL  56          3HG2      VAL  56  -4.045  -8.683  -3.480
  444   HG22  VAL  56          1HG2      VAL  56  -3.758  -7.136  -2.681
  445   HG23  VAL  56          2HG2      VAL  56  -2.399  -8.175  -3.102
  446    H    LYS  57           H        LYS  57  -3.967  -6.774  -7.637
  447    HA   LYS  57           HA       LYS  57  -3.234  -4.098  -8.033
  448    HB2  LYS  57           2HB      LYS  57  -4.057  -6.162 -10.084
  449    HB3  LYS  57           1HB      LYS  57  -3.213  -4.657 -10.434
  450    HG2  LYS  57           2HG      LYS  57  -1.379  -5.454  -8.907
  451    HG3  LYS  57           1HG      LYS  57  -2.200  -7.013  -8.866
  452    HD2  LYS  57           2HD      LYS  57  -1.954  -7.231 -11.271
  453    HD3  LYS  57           1HD      LYS  57  -1.191  -5.637 -11.356
  454    HE2  LYS  57           2HE      LYS  57   0.596  -6.476  -9.841
  455    HE3  LYS  57           1HE      LYS  57  -0.138  -8.077  -9.915
  456    HZ1  LYS  57           3HZ      LYS  57   1.677  -7.926 -11.455
  457    HZ2  LYS  57           1HZ      LYS  57   0.996  -6.557 -12.197
  458    HZ3  LYS  57           2HZ      LYS  57   0.218  -8.061 -12.318
  459    H    TYR  58           H        TYR  58  -6.307  -5.736  -8.346
  460    HA   TYR  58           HA       TYR  58  -7.684  -3.618  -9.614
  461    HB2  TYR  58           2HB      TYR  58  -8.832  -5.644  -9.692
  462    HB3  TYR  58           1HB      TYR  58  -8.496  -6.013  -8.004
  463    HD1  TYR  58           1HD      TYR  58 -10.442  -3.635 -10.132
  464    HD2  TYR  58           2HD      TYR  58 -10.136  -5.666  -6.407
  465    HE1  TYR  58           1HE      TYR  58 -12.654  -2.777  -9.486
  466    HE2  TYR  58           2HE      TYR  58 -12.339  -4.817  -5.753
  467    HH   TYR  58           HH       TYR  58 -13.812  -2.834  -6.359
  468    H    ILE  59           H        ILE  59  -7.335  -4.535  -6.187
  469    HA   ILE  59           HA       ILE  59  -8.948  -2.412  -5.241
  470    HB   ILE  59           HB       ILE  59  -6.894  -3.995  -3.695
  471   HG12  ILE  59          2HG1      ILE  59  -9.862  -4.475  -4.050
  472   HG13  ILE  59          1HG1      ILE  59  -8.585  -5.412  -4.809
  473   HG21  ILE  59          1HG2      ILE  59  -9.281  -2.400  -2.766
  474   HG22  ILE  59          2HG2      ILE  59  -7.590  -1.953  -2.553
  475   HG23  ILE  59          3HG2      ILE  59  -8.231  -3.379  -1.738
  476   HD11  ILE  59          3HD1      ILE  59  -9.501  -6.579  -2.908
  477   HD12  ILE  59          1HD1      ILE  59  -9.113  -5.214  -1.861
  478   HD13  ILE  59          2HD1      ILE  59  -7.818  -6.145  -2.617
  479    H    VAL  60           H        VAL  60  -5.410  -2.802  -5.514
  480    HA   VAL  60           HA       VAL  60  -4.822  -0.333  -4.239
  481    HB   VAL  60           HB       VAL  60  -3.147  -2.125  -4.405
  482   HG11  VAL  60          1HG1      VAL  60  -1.907  -2.471  -6.503
  483   HG12  VAL  60          2HG1      VAL  60  -3.035  -1.397  -7.333
  484   HG13  VAL  60          3HG1      VAL  60  -3.605  -2.919  -6.656
  485   HG21  VAL  60          3HG2      VAL  60  -2.376   0.124  -3.971
  486   HG22  VAL  60          1HG2      VAL  60  -2.325   0.472  -5.699
  487   HG23  VAL  60          2HG2      VAL  60  -1.216  -0.711  -5.006
  488    H    ARG  61           H        ARG  61  -5.444  -1.216  -7.591
  489    HA   ARG  61           HA       ARG  61  -4.706   1.266  -8.733
  490    HB2  ARG  61           2HB      ARG  61  -4.976  -0.686 -10.133
  491    HB3  ARG  61           1HB      ARG  61  -6.659  -0.848  -9.660
  492    HG2  ARG  61           2HG      ARG  61  -5.947   1.721 -10.905
  493    HG3  ARG  61           1HG      ARG  61  -5.821   0.303 -11.948
  494    HD2  ARG  61           2HD      ARG  61  -8.256   1.129 -10.362
  495    HD3  ARG  61           1HD      ARG  61  -8.034   1.337 -12.100
  496    HE   ARG  61           HE       ARG  61  -7.687  -1.383 -11.433
  497   HH11  ARG  61          1HH1      ARG  61 -10.224   1.032 -11.642
  498   HH12  ARG  61          2HH1      ARG  61 -11.459  -0.131 -11.998
  499   HH21  ARG  61          1HH2      ARG  61  -9.342  -2.905 -11.907
  500   HH22  ARG  61          2HH2      ARG  61 -10.971  -2.340 -12.163
  501    H    LEU  62           H        LEU  62  -7.712   0.016  -7.400
  502    HA   LEU  62           HA       LEU  62  -9.308   2.294  -7.917
  503    HB2  LEU  62           2HB      LEU  62 -10.118   0.006  -7.313
  504    HB3  LEU  62           1HB      LEU  62  -9.563   0.289  -5.675
  505    HG   LEU  62           HG       LEU  62 -11.132   2.238  -5.566
  506   HD11  LEU  62          1HD1      LEU  62 -12.934   2.348  -7.207
  507   HD12  LEU  62          2HD1      LEU  62 -12.165   1.064  -8.141
  508   HD13  LEU  62          3HD1      LEU  62 -11.362   2.624  -7.961
  509   HD21  LEU  62          3HD2      LEU  62 -11.703   0.120  -4.539
  510   HD22  LEU  62          1HD2      LEU  62 -12.307  -0.492  -6.080
  511   HD23  LEU  62          2HD2      LEU  62 -13.137   0.839  -5.273
  512    H    LEU  63           H        LEU  63  -7.430   1.243  -5.117
  513    HA   LEU  63           HA       LEU  63  -8.165   3.375  -3.454
  514    HB2  LEU  63           2HB      LEU  63  -5.883   1.445  -3.350
  515    HB3  LEU  63           1HB      LEU  63  -6.171   2.651  -2.100
  516    HG   LEU  63           HG       LEU  63  -8.134   0.509  -2.943
  517   HD11  LEU  63          1HD1      LEU  63  -7.692  -0.502  -0.775
  518   HD12  LEU  63          2HD1      LEU  63  -6.462   0.720  -0.450
  519   HD13  LEU  63          3HD1      LEU  63  -6.233  -0.433  -1.763
  520   HD21  LEU  63          3HD2      LEU  63  -9.423   1.231  -0.991
  521   HD22  LEU  63          1HD2      LEU  63  -9.237   2.534  -2.166
  522   HD23  LEU  63          2HD2      LEU  63  -8.257   2.522  -0.701
  523    H    SER  64           H        SER  64  -5.490   3.020  -5.715
  524    HA   SER  64           HA       SER  64  -4.234   5.438  -4.782
  525    HB2  SER  64           2HB      SER  64  -3.657   3.695  -7.180
  526    HB3  SER  64           1HB      SER  64  -2.645   5.035  -6.637
  527    HG   SER  64           HG       SER  64  -2.874   2.491  -5.647
  528    H    LYS  65           H        LYS  65  -6.937   4.955  -6.642
  529    HA   LYS  65           HA       LYS  65  -6.445   7.420  -8.152
  530    HB2  LYS  65           2HB      LYS  65  -8.530   5.293  -8.618
  531    HB3  LYS  65           1HB      LYS  65  -8.431   6.794  -9.524
  532    HG2  LYS  65           2HG      LYS  65  -6.363   4.609  -9.459
  533    HG3  LYS  65           1HG      LYS  65  -7.465   4.980 -10.785
  534    HD2  LYS  65           2HD      LYS  65  -6.417   7.235 -10.934
  535    HD3  LYS  65           1HD      LYS  65  -5.244   6.715  -9.720
  536    HE2  LYS  65           2HE      LYS  65  -4.224   6.419 -11.847
  537    HE3  LYS  65           1HE      LYS  65  -4.647   4.817 -11.244
  538    HZ1  LYS  65           3HZ      LYS  65  -5.881   6.366 -13.426
  539    HZ2  LYS  65           1HZ      LYS  65  -6.797   5.195 -12.602
  540    HZ3  LYS  65           2HZ      LYS  65  -5.385   4.744 -13.409
  541    H    LYS  66           H        LYS  66  -7.985   6.267  -5.467
  542    HA   LYS  66           HA       LYS  66  -9.980   8.423  -5.540
  543    HB2  LYS  66           2HB      LYS  66 -10.968   6.156  -5.493
  544    HB3  LYS  66           1HB      LYS  66 -10.142   5.844  -3.973
  545    HG2  LYS  66           2HG      LYS  66 -11.421   7.557  -2.872
  546    HG3  LYS  66           1HG      LYS  66 -12.172   8.022  -4.400
  547    HD2  LYS  66           2HD      LYS  66 -13.156   5.757  -4.560
  548    HD3  LYS  66           1HD      LYS  66 -12.468   5.377  -2.980
  549    HE2  LYS  66           2HE      LYS  66 -14.443   7.581  -3.549
  550    HE3  LYS  66           1HE      LYS  66 -14.831   6.019  -2.832
  551    HZ1  LYS  66           3HZ      LYS  66 -14.577   7.783  -1.180
  552    HZ2  LYS  66           1HZ      LYS  66 -12.968   8.009  -1.653
  553    HZ3  LYS  66           2HZ      LYS  66 -13.452   6.537  -0.953
  554    H    VAL  67           H        VAL  67  -7.594   6.794  -3.577
  555    HA   VAL  67           HA       VAL  67  -7.992   8.648  -1.362
  556    HB   VAL  67           HB       VAL  67  -5.876   6.499  -1.536
  557   HG11  VAL  67          1HG1      VAL  67  -5.633   8.044   0.311
  558   HG12  VAL  67          2HG1      VAL  67  -6.135   6.465   0.916
  559   HG13  VAL  67          3HG1      VAL  67  -7.308   7.777   0.790
  560   HG21  VAL  67          3HG2      VAL  67  -8.739   6.155  -0.640
  561   HG22  VAL  67          1HG2      VAL  67  -7.456   4.960  -0.453
  562   HG23  VAL  67          2HG2      VAL  67  -7.996   5.428  -2.067
  563    H    LYS  68           H        LYS  68  -6.795   9.121  -4.164
  564    HA   LYS  68           HA       LYS  68  -4.154  10.143  -3.476
  565    HB2  LYS  68           2HB      LYS  68  -4.376   8.856  -5.532
  566    HB3  LYS  68           1HB      LYS  68  -5.638   9.935  -6.105
  567    HG2  LYS  68           2HG      LYS  68  -4.104  11.706  -6.429
  568    HG3  LYS  68           1HG      LYS  68  -2.828  10.850  -5.556
  569    HD2  LYS  68           2HD      LYS  68  -2.632   9.219  -7.283
  570    HD3  LYS  68           1HD      LYS  68  -4.084   9.808  -8.091
  571    HE2  LYS  68           2HE      LYS  68  -1.650  11.521  -7.694
  572    HE3  LYS  68           1HE      LYS  68  -1.848  10.475  -9.098
  573    HZ1  LYS  68           3HZ      LYS  68  -3.580  12.750  -8.294
  574    HZ2  LYS  68           1HZ      LYS  68  -3.975  11.654  -9.531
  575    HZ3  LYS  68           2HZ      LYS  68  -2.600  12.634  -9.673
  576    H    ASN  69           H        ASN  69  -7.354  11.202  -3.630
  577    HA   ASN  69           HA       ASN  69  -6.531  13.987  -4.054
  578    HB2  ASN  69           2HB      ASN  69  -8.278  13.329  -5.580
  579    HB3  ASN  69           1HB      ASN  69  -9.251  12.684  -4.266
  580   HD21  ASN  69          1HD2      ASN  69 -10.490  14.031  -3.060
  581   HD22  ASN  69          2HD2      ASN  69 -10.684  15.720  -3.396
  582    H    MET  70           H        MET  70  -7.105  15.582  -2.564
  583    HA   MET  70           HA       MET  70  -7.456  14.606   0.153
  584    HB2  MET  70           2HB      MET  70  -5.700  16.281  -0.421
  585    HB3  MET  70           1HB      MET  70  -6.969  17.419  -0.845
  586    HG2  MET  70           2HG      MET  70  -6.147  17.923   1.349
  587    HG3  MET  70           1HG      MET  70  -7.799  17.317   1.472
  588    HE1  MET  70           3HE      MET  70  -7.188  17.111   4.129
  589    HE2  MET  70           1HE      MET  70  -5.503  17.539   3.839
  590    HE3  MET  70           2HE      MET  70  -5.898  16.074   4.741
  Start of MODEL    9
    1    H1   ALA   1           1HT      ALA   1  14.438  -6.342  12.046
    2    H2   ALA   1           2HT      ALA   1  13.487  -7.467  12.882
    3    H3   ALA   1           3HT      ALA   1  12.767  -6.404  11.771
    4    HA   ALA   1           HA       ALA   1  14.690  -8.567  11.147
    5    HB1  ALA   1           1HB      ALA   1  11.773  -8.292  10.437
    6    HB2  ALA   1           2HB      ALA   1  12.431  -9.364  11.674
    7    HB3  ALA   1           3HB      ALA   1  12.840  -9.620   9.977
    8    H    SER   2           H        SER   2  12.329  -6.365   9.616
    9    HA   SER   2           HA       SER   2  14.066  -6.186   7.270
   10    HB2  SER   2           2HB      SER   2  11.272  -5.102   7.711
   11    HB3  SER   2           1HB      SER   2  12.141  -5.158   6.174
   12    HG   SER   2           HG       SER   2  10.574  -6.914   6.664
   13    H    ASN   3           H        ASN   3  13.462  -3.665   6.316
   14    HA   ASN   3           HA       ASN   3  15.130  -2.041   7.976
   15    HB2  ASN   3           2HB      ASN   3  15.156  -1.922   5.474
   16    HB3  ASN   3           1HB      ASN   3  13.561  -1.165   5.534
   17   HD21  ASN   3          1HD2      ASN   3  13.369   0.939   6.277
   18   HD22  ASN   3          2HD2      ASN   3  14.736   1.984   6.484
   19    H    PHE   4           H        PHE   4  11.909  -1.234   6.650
   20    HA   PHE   4           HA       PHE   4  11.286  -0.080   9.256
   21    HB2  PHE   4           2HB      PHE   4  10.455   1.958   8.353
   22    HB3  PHE   4           1HB      PHE   4  12.059   1.709   7.684
   23    HD1  PHE   4           2HD      PHE   4  12.049   0.414   5.353
   24    HD2  PHE   4           1HD      PHE   4   8.781   2.633   6.928
   25    HE1  PHE   4           2HE      PHE   4  11.111   0.638   3.099
   26    HE2  PHE   4           1HE      PHE   4   7.839   2.847   4.666
   27    HZ   PHE   4           HZ       PHE   4   9.015   1.840   2.756
   28    H    ASP   5           H        ASP   5   9.974  -1.310   6.245
   29    HA   ASP   5           HA       ASP   5   7.468  -1.770   7.626
   30    HB2  ASP   5           2HB      ASP   5   7.773   0.445   6.067
   31    HB3  ASP   5           1HB      ASP   5   7.051  -0.706   4.954
   32    H    CYS   6           H        CYS   6   9.345  -2.340   4.796
   33    HA   CYS   6           HA       CYS   6   8.023  -4.095   3.322
   34    HB2  CYS   6           2HB      CYS   6  10.257  -5.372   3.107
   35    HB3  CYS   6           1HB      CYS   6  10.183  -3.685   2.605
   36    H    CYS   7           H        CYS   7   6.793  -5.771   3.749
   37    HA   CYS   7           HA       CYS   7   6.851  -7.257   6.106
   38    HB2  CYS   7           2HB      CYS   7   5.740  -8.010   3.401
   39    HB3  CYS   7           1HB      CYS   7   5.396  -8.861   4.900
   40    H    LEU   8           H        LEU   8   7.505  -9.441   6.471
   41    HA   LEU   8           HA       LEU   8   9.908 -10.247   5.116
   42    HB2  LEU   8           2HB      LEU   8   9.560 -12.332   6.615
   43    HB3  LEU   8           1HB      LEU   8   9.953 -10.800   7.366
   44    HG   LEU   8           HG       LEU   8   7.459 -10.512   7.782
   45   HD11  LEU   8          1HD1      LEU   8   6.603 -12.145   6.229
   46   HD12  LEU   8          2HD1      LEU   8   6.142 -12.580   7.873
   47   HD13  LEU   8          3HD1      LEU   8   7.458 -13.437   7.073
   48   HD21  LEU   8          3HD2      LEU   8   9.024 -11.077   9.547
   49   HD22  LEU   8          1HD2      LEU   8   8.905 -12.785   9.127
   50   HD23  LEU   8          2HD2      LEU   8   7.497 -11.935   9.767
   51    H    GLY   9           H        GLY   9   7.451 -10.055   3.569
   52    HA2  GLY   9           2HA      GLY   9   7.323 -11.605   1.575
   53    HA3  GLY   9           1HA      GLY   9   6.985 -12.851   2.772
   54    H    TYR  10           H        TYR  10   5.238 -12.100   0.628
   55    HA   TYR  10           HA       TYR  10   3.087 -10.814   2.135
   56    HB2  TYR  10           2HB      TYR  10   2.128 -10.971  -0.437
   57    HB3  TYR  10           1HB      TYR  10   2.855  -9.554   0.305
   58    HD1  TYR  10           1HD      TYR  10   5.326  -9.195   0.001
   59    HD2  TYR  10           2HD      TYR  10   3.098 -11.956  -2.315
   60    HE1  TYR  10           1HE      TYR  10   7.107  -9.175  -1.698
   61    HE2  TYR  10           2HE      TYR  10   4.875 -11.970  -4.032
   62    HH   TYR  10           HH       TYR  10   7.960 -10.615  -3.491
   63    H    THR  11           H        THR  11   0.851 -11.638   1.299
   64    HA   THR  11           HA       THR  11   0.808 -14.354   2.269
   65    HB   THR  11           HB       THR  11  -0.647 -12.495   3.104
   66    HG1  THR  11           1HG      THR  11  -1.126 -14.848   3.268
   67   HG21  THR  11          3HG2      THR  11  -1.248 -11.466   0.987
   68   HG22  THR  11          1HG2      THR  11  -2.700 -11.979   1.849
   69   HG23  THR  11          2HG2      THR  11  -2.094 -12.932   0.494
   70    H    ASP  12           H        ASP  12  -1.254 -15.622   1.252
   71    HA   ASP  12           HA       ASP  12  -1.228 -15.400  -1.676
   72    HB2  ASP  12           2HB      ASP  12  -0.790 -17.915  -0.066
   73    HB3  ASP  12           1HB      ASP  12  -1.409 -17.969  -1.710
   74    H    ARG  13           H        ARG  13  -3.197 -14.223  -1.081
   75    HA   ARG  13           HA       ARG  13  -5.437 -16.023  -0.455
   76    HB2  ARG  13           2HB      ARG  13  -4.985 -13.269   0.709
   77    HB3  ARG  13           1HB      ARG  13  -6.421 -14.254   0.954
   78    HG2  ARG  13           2HG      ARG  13  -5.139 -15.936   2.120
   79    HG3  ARG  13           1HG      ARG  13  -3.643 -15.067   1.779
   80    HD2  ARG  13           2HD      ARG  13  -4.242 -14.591   4.022
   81    HD3  ARG  13           1HD      ARG  13  -4.562 -13.141   3.077
   82    HE   ARG  13           HE       ARG  13  -6.960 -14.375   3.089
   83   HH11  ARG  13          1HH1      ARG  13  -4.704 -13.645   5.672
   84   HH12  ARG  13          2HH1      ARG  13  -5.951 -13.398   6.859
   85   HH21  ARG  13          1HH2      ARG  13  -8.585 -14.071   4.649
   86   HH22  ARG  13          2HH2      ARG  13  -8.149 -13.623   6.275
   87    H    ILE  14           H        ILE  14  -7.545 -14.832  -0.782
   88    HA   ILE  14           HA       ILE  14  -7.409 -12.783  -2.887
   89    HB   ILE  14           HB       ILE  14  -9.430 -14.999  -2.542
   90   HG12  ILE  14          2HG1      ILE  14  -7.231 -15.256  -3.901
   91   HG13  ILE  14          1HG1      ILE  14  -8.745 -15.810  -4.606
   92   HG21  ILE  14          1HG2      ILE  14 -10.745 -13.988  -4.320
   93   HG22  ILE  14          2HG2      ILE  14  -9.636 -12.618  -4.372
   94   HG23  ILE  14          3HG2      ILE  14 -10.622 -12.902  -2.936
   95   HD11  ILE  14          3HD1      ILE  14  -7.421 -14.623  -6.242
   96   HD12  ILE  14          1HD1      ILE  14  -7.365 -13.205  -5.193
   97   HD13  ILE  14          2HD1      ILE  14  -8.904 -13.729  -5.882
   98    H    LEU  15           H        LEU  15  -7.534 -11.049  -1.523
   99    HA   LEU  15           HA       LEU  15  -9.755 -10.964   0.408
  100    HB2  LEU  15           2HB      LEU  15  -7.228  -9.318   0.282
  101    HB3  LEU  15           1HB      LEU  15  -8.481  -9.162   1.502
  102    HG   LEU  15           HG       LEU  15  -7.647 -11.894   1.388
  103   HD11  LEU  15          1HD1      LEU  15  -5.418  -9.898   1.737
  104   HD12  LEU  15          2HD1      LEU  15  -5.580 -11.060   0.414
  105   HD13  LEU  15          3HD1      LEU  15  -5.314 -11.627   2.069
  106   HD21  LEU  15          3HD2      LEU  15  -7.153 -11.484   3.740
  107   HD22  LEU  15          1HD2      LEU  15  -8.707 -10.786   3.275
  108   HD23  LEU  15          2HD2      LEU  15  -7.293  -9.747   3.472
  109    H    HIS  16           H        HIS  16 -10.851  -8.820   0.618
  110    HA   HIS  16           HA       HIS  16 -10.938  -7.470  -1.998
  111    HB2  HIS  16           2HB      HIS  16 -13.381  -8.287  -0.421
  112    HB3  HIS  16           1HB      HIS  16 -13.357  -7.494  -1.985
  113    HD1  HIS  16           1HD      HIS  16 -14.992  -9.803  -1.973
  114    HD2  HIS  16           2HD      HIS  16 -10.884 -10.187  -2.518
  115    HE1  HIS  16           1HE      HIS  16 -14.660 -12.063  -2.924
  116    HE2  HIS  16           2HE      HIS  16 -12.237 -12.148  -3.586
  117    HA   PRO  17           HA       PRO  17 -11.929  -3.629   0.291
  118    HB2  PRO  17           2HB      PRO  17 -14.520  -3.153  -0.652
  119    HB3  PRO  17           1HB      PRO  17 -13.033  -2.529  -1.370
  120    HG2  PRO  17           2HG      PRO  17 -14.686  -4.877  -2.169
  121    HG3  PRO  17           1HG      PRO  17 -13.781  -3.735  -3.182
  122    HD2  PRO  17           2HD      PRO  17 -12.873  -6.224  -2.692
  123    HD3  PRO  17           1HD      PRO  17 -11.765  -4.834  -2.832
  124    H    LYS  18           H        LYS  18 -13.990  -6.378   0.071
  125    HA   LYS  18           HA       LYS  18 -15.815  -6.225   2.081
  126    HB2  LYS  18           2HB      LYS  18 -14.062  -8.461   1.108
  127    HB3  LYS  18           1HB      LYS  18 -15.215  -8.754   2.387
  128    HG2  LYS  18           2HG      LYS  18 -17.033  -8.053   0.905
  129    HG3  LYS  18           1HG      LYS  18 -15.858  -7.782  -0.383
  130    HD2  LYS  18           2HD      LYS  18 -16.908  -9.956  -0.654
  131    HD3  LYS  18           1HD      LYS  18 -15.200 -10.152  -0.258
  132    HE2  LYS  18           2HE      LYS  18 -16.059 -11.668   1.191
  133    HE3  LYS  18           1HE      LYS  18 -16.183 -10.233   2.207
  134    HZ1  LYS  18           3HZ      LYS  18 -18.254 -11.321   2.338
  135    HZ2  LYS  18           1HZ      LYS  18 -18.329 -11.571   0.662
  136    HZ3  LYS  18           2HZ      LYS  18 -18.515 -10.009   1.292
  137    H    PHE  19           H        PHE  19 -12.339  -6.348   2.453
  138    HA   PHE  19           HA       PHE  19 -12.717  -6.396   5.378
  139    HB2  PHE  19           2HB      PHE  19 -10.339  -7.558   3.919
  140    HB3  PHE  19           1HB      PHE  19 -10.653  -7.627   5.647
  141    HD1  PHE  19           2HD      PHE  19 -12.533  -9.033   6.491
  142    HD2  PHE  19           1HD      PHE  19 -11.257  -9.134   2.432
  143    HE1  PHE  19           2HE      PHE  19 -13.696 -11.181   6.177
  144    HE2  PHE  19           1HE      PHE  19 -12.414 -11.278   2.114
  145    HZ   PHE  19           HZ       PHE  19 -13.637 -12.304   3.991
  146    H    ILE  20           H        ILE  20 -11.672  -4.603   2.770
  147    HA   ILE  20           HA       ILE  20  -9.311  -3.507   4.109
  148    HB   ILE  20           HB       ILE  20 -10.220  -3.619   1.275
  149   HG12  ILE  20          2HG1      ILE  20  -7.895  -4.179   0.858
  150   HG13  ILE  20          1HG1      ILE  20  -7.462  -3.765   2.507
  151   HG21  ILE  20          1HG2      ILE  20  -8.649  -1.853   0.601
  152   HG22  ILE  20          2HG2      ILE  20  -8.394  -1.453   2.298
  153   HG23  ILE  20          3HG2      ILE  20  -9.983  -1.228   1.571
  154   HD11  ILE  20          3HD1      ILE  20  -7.549  -6.168   2.186
  155   HD12  ILE  20          1HD1      ILE  20  -9.233  -6.050   1.672
  156   HD13  ILE  20          2HD1      ILE  20  -8.784  -5.638   3.328
  157    H    VAL  21           H        VAL  21  -9.345  -1.620   5.119
  158    HA   VAL  21           HA       VAL  21 -11.334   0.380   4.269
  159    HB   VAL  21           HB       VAL  21 -11.333   1.304   6.543
  160   HG11  VAL  21          1HG1      VAL  21 -13.014  -0.379   5.881
  161   HG12  VAL  21          2HG1      VAL  21 -12.655  -0.426   7.606
  162   HG13  VAL  21          3HG1      VAL  21 -11.973  -1.647   6.534
  163   HG21  VAL  21          3HG2      VAL  21 -10.336   0.033   8.400
  164   HG22  VAL  21          1HG2      VAL  21  -9.118   0.628   7.269
  165   HG23  VAL  21          2HG2      VAL  21  -9.601  -1.067   7.236
  166    H    GLY  22           H        GLY  22  -8.068  -0.406   4.679
  167    HA2  GLY  22           2HA      GLY  22  -7.268   2.308   3.937
  168    HA3  GLY  22           1HA      GLY  22  -6.541   1.602   5.378
  169    H    PHE  23           H        PHE  23  -4.990   2.367   3.196
  170    HA   PHE  23           HA       PHE  23  -3.810  -0.156   2.380
  171    HB2  PHE  23           2HB      PHE  23  -5.155  -0.185   0.578
  172    HB3  PHE  23           1HB      PHE  23  -5.484   1.544   0.661
  173    HD1  PHE  23           1HD      PHE  23  -3.018  -0.968  -0.388
  174    HD2  PHE  23           2HD      PHE  23  -4.327   3.055  -0.585
  175    HE1  PHE  23           1HE      PHE  23  -1.421  -0.555  -2.202
  176    HE2  PHE  23           2HE      PHE  23  -2.743   3.490  -2.422
  177    HZ   PHE  23           HZ       PHE  23  -1.298   1.667  -3.198
  178    H    THR  24           H        THR  24  -1.705  -0.001   2.191
  179    HA   THR  24           HA       THR  24  -0.456   2.591   1.607
  180    HB   THR  24           HB       THR  24   0.538   0.604   3.663
  181    HG1  THR  24           1HG      THR  24   0.270   2.967   4.751
  182   HG21  THR  24          3HG2      THR  24   2.389   1.637   2.474
  183   HG22  THR  24          1HG2      THR  24   2.293   2.285   4.110
  184   HG23  THR  24          2HG2      THR  24   1.706   3.239   2.748
  185    H    ARG  25           H        ARG  25   0.823   2.374  -0.200
  186    HA   ARG  25           HA       ARG  25   1.605  -0.335  -0.950
  187    HB2  ARG  25           2HB      ARG  25   2.393   0.707  -3.086
  188    HB3  ARG  25           1HB      ARG  25   0.671   0.857  -2.777
  189    HG2  ARG  25           2HG      ARG  25   0.867   3.153  -2.258
  190    HG3  ARG  25           1HG      ARG  25   2.626   3.054  -2.161
  191    HD2  ARG  25           2HD      ARG  25   1.824   4.109  -4.254
  192    HD3  ARG  25           1HD      ARG  25   2.786   2.660  -4.531
  193    HE   ARG  25           HE       ARG  25   0.724   1.483  -5.006
  194   HH11  ARG  25          1HH1      ARG  25   0.561   4.982  -4.934
  195   HH12  ARG  25          2HH1      ARG  25  -0.841   5.063  -5.959
  196   HH21  ARG  25          1HH2      ARG  25  -1.121   1.593  -6.385
  197   HH22  ARG  25          2HH2      ARG  25  -1.819   3.137  -6.750
  198    H    GLN  26           H        GLN  26   3.174  -0.843   0.445
  199    HA   GLN  26           HA       GLN  26   5.388   0.811   1.084
  200    HB2  GLN  26           2HB      GLN  26   4.529  -0.996   2.520
  201    HB3  GLN  26           1HB      GLN  26   4.990  -2.179   1.317
  202    HG2  GLN  26           2HG      GLN  26   6.999  -0.396   2.628
  203    HG3  GLN  26           1HG      GLN  26   6.466  -1.903   3.364
  204   HE21  GLN  26          1HE2      GLN  26   6.680  -3.850   2.017
  205   HE22  GLN  26          2HE2      GLN  26   8.071  -3.969   0.981
  206    H    LEU  27           H        LEU  27   7.185   1.164  -0.069
  207    HA   LEU  27           HA       LEU  27   7.399  -0.281  -2.632
  208    HB2  LEU  27           2HB      LEU  27   7.963   2.602  -1.959
  209    HB3  LEU  27           1HB      LEU  27   8.351   1.861  -3.501
  210    HG   LEU  27           HG       LEU  27   5.527   1.630  -2.627
  211   HD11  LEU  27          1HD1      LEU  27   6.732   4.253  -3.517
  212   HD12  LEU  27          2HD1      LEU  27   6.040   3.908  -1.932
  213   HD13  LEU  27          3HD1      LEU  27   5.008   3.912  -3.363
  214   HD21  LEU  27          3HD2      LEU  27   6.363   0.777  -4.789
  215   HD22  LEU  27          1HD2      LEU  27   6.832   2.417  -5.238
  216   HD23  LEU  27          2HD2      LEU  27   5.131   2.021  -4.992
  217    H    ALA  28           H        ALA  28   9.406  -0.726  -3.473
  218    HA   ALA  28           HA       ALA  28  11.522  -1.161  -1.582
  219    HB1  ALA  28           1HB      ALA  28  11.019  -2.798  -3.307
  220    HB2  ALA  28           2HB      ALA  28  12.666  -2.198  -3.489
  221    HB3  ALA  28           3HB      ALA  28  11.392  -1.616  -4.559
  222    H    ASN  29           H        ASN  29  11.102   1.510  -1.657
  223    HA   ASN  29           HA       ASN  29  13.580   2.516  -2.850
  224    HB2  ASN  29           2HB      ASN  29  10.831   3.687  -3.226
  225    HB3  ASN  29           1HB      ASN  29  12.274   4.684  -3.357
  226   HD21  ASN  29          1HD2      ASN  29  10.395   2.148  -4.807
  227   HD22  ASN  29          2HD2      ASN  29  11.204   2.148  -6.339
  228    H    GLU  30           H        GLU  30  11.164   2.632  -0.371
  229    HA   GLU  30           HA       GLU  30  12.157   5.140   0.713
  230    HB2  GLU  30           2HB      GLU  30   9.878   3.395   1.651
  231    HB3  GLU  30           1HB      GLU  30  10.212   5.042   2.170
  232    HG2  GLU  30           2HG      GLU  30   9.459   4.205  -0.626
  233    HG3  GLU  30           1HG      GLU  30   8.383   4.943   0.558
  234    H    GLY  31           H        GLY  31  13.788   2.676   0.871
  235    HA2  GLY  31           2HA      GLY  31  15.400   2.650   2.771
  236    HA3  GLY  31           1HA      GLY  31  13.992   2.505   3.817
  237    H    CYS  32           H        CYS  32  12.523   0.677   2.277
  238    HA   CYS  32           HA       CYS  32  14.039  -1.771   2.719
  239    HB2  CYS  32           2HB      CYS  32  11.150  -1.177   2.149
  240    HB3  CYS  32           1HB      CYS  32  11.791  -2.816   2.093
  241    H    ASP  33           H        ASP  33  14.053  -3.456   1.104
  242    HA   ASP  33           HA       ASP  33  14.210  -2.345  -1.618
  243    HB2  ASP  33           2HB      ASP  33  15.897  -3.998  -2.119
  244    HB3  ASP  33           1HB      ASP  33  16.352  -3.162  -0.638
  245    H    ILE  34           H        ILE  34  12.538  -4.516   0.362
  246    HA   ILE  34           HA       ILE  34  11.396  -5.843  -1.994
  247    HB   ILE  34           HB       ILE  34  10.895  -7.691  -0.757
  248   HG12  ILE  34          2HG1      ILE  34  10.750  -7.287   1.942
  249   HG13  ILE  34          1HG1      ILE  34  10.121  -5.760   1.332
  250   HG21  ILE  34          1HG2      ILE  34  12.597  -8.179   0.904
  251   HG22  ILE  34          2HG2      ILE  34  12.977  -6.459   1.033
  252   HG23  ILE  34          3HG2      ILE  34  13.288  -7.324  -0.476
  253   HD11  ILE  34          3HD1      ILE  34   8.433  -6.970   0.050
  254   HD12  ILE  34          1HD1      ILE  34   8.340  -7.349   1.770
  255   HD13  ILE  34          2HD1      ILE  34   9.074  -8.501   0.653
  256    H    ASN  35           H        ASN  35   9.282  -5.449  -2.554
  257    HA   ASN  35           HA       ASN  35   7.966  -3.353  -0.964
  258    HB2  ASN  35           2HB      ASN  35   6.806  -2.712  -3.074
  259    HB3  ASN  35           1HB      ASN  35   8.553  -2.519  -3.143
  260   HD21  ASN  35          1HD2      ASN  35   9.753  -3.818  -4.508
  261   HD22  ASN  35          2HD2      ASN  35   9.027  -4.780  -5.747
  262    H    ALA  36           H        ALA  36   5.932  -3.592  -0.247
  263    HA   ALA  36           HA       ALA  36   4.355  -5.883  -1.236
  264    HB1  ALA  36           1HB      ALA  36   5.528  -6.660   0.770
  265    HB2  ALA  36           2HB      ALA  36   3.787  -6.566   1.035
  266    HB3  ALA  36           3HB      ALA  36   4.848  -5.321   1.692
  267    H    ILE  37           H        ILE  37   2.179  -5.502  -1.310
  268    HA   ILE  37           HA       ILE  37   1.245  -2.808  -0.878
  269    HB   ILE  37           HB       ILE  37  -0.322  -5.267  -1.675
  270   HG12  ILE  37          2HG1      ILE  37   1.452  -4.859  -3.298
  271   HG13  ILE  37          1HG1      ILE  37  -0.105  -4.424  -3.991
  272   HG21  ILE  37          1HG2      ILE  37  -1.930  -3.644  -2.586
  273   HG22  ILE  37          2HG2      ILE  37  -0.969  -2.330  -1.909
  274   HG23  ILE  37          3HG2      ILE  37  -1.744  -3.500  -0.841
  275   HD11  ILE  37          3HD1      ILE  37   1.600  -2.803  -4.575
  276   HD12  ILE  37          1HD1      ILE  37   1.916  -2.501  -2.870
  277   HD13  ILE  37          2HD1      ILE  37   0.355  -2.070  -3.568
  278    H    ILE  38           H        ILE  38   0.988  -2.270   1.249
  279    HA   ILE  38           HA       ILE  38   0.024  -4.277   3.115
  280    HB   ILE  38           HB       ILE  38   0.839  -1.406   3.599
  281   HG12  ILE  38          2HG1      ILE  38   2.312  -3.988   4.143
  282   HG13  ILE  38          1HG1      ILE  38   2.680  -2.867   2.837
  283   HG21  ILE  38          1HG2      ILE  38   0.239  -3.619   5.561
  284   HG22  ILE  38          2HG2      ILE  38  -0.724  -2.165   5.289
  285   HG23  ILE  38          3HG2      ILE  38   0.899  -2.037   5.971
  286   HD11  ILE  38          3HD1      ILE  38   2.884  -2.290   5.783
  287   HD12  ILE  38          1HD1      ILE  38   3.226  -1.144   4.489
  288   HD13  ILE  38          2HD1      ILE  38   4.227  -2.585   4.678
  289    H    PHE  39           H        PHE  39  -2.111  -4.613   2.723
  290    HA   PHE  39           HA       PHE  39  -3.936  -2.353   2.662
  291    HB2  PHE  39           2HB      PHE  39  -4.337  -5.334   2.440
  292    HB3  PHE  39           1HB      PHE  39  -5.696  -4.246   2.688
  293    HD1  PHE  39           2HD      PHE  39  -4.961  -1.968   0.984
  294    HD2  PHE  39           1HD      PHE  39  -4.596  -6.150   0.295
  295    HE1  PHE  39           2HE      PHE  39  -5.092  -1.576  -1.448
  296    HE2  PHE  39           1HE      PHE  39  -4.720  -5.763  -2.127
  297    HZ   PHE  39           HZ       PHE  39  -4.966  -3.481  -2.998
  298    H    HIS  40           H        HIS  40  -5.179  -1.693   4.317
  299    HA   HIS  40           HA       HIS  40  -4.594  -2.957   6.912
  300    HB2  HIS  40           2HB      HIS  40  -5.627  -0.148   6.452
  301    HB3  HIS  40           1HB      HIS  40  -5.019  -0.825   7.957
  302    HD1  HIS  40           1HD      HIS  40  -2.564  -0.476   8.418
  303    HD2  HIS  40           2HD      HIS  40  -3.547   0.156   4.437
  304    HE1  HIS  40           1HE      HIS  40  -0.461   0.371   7.313
  305    HE2  HIS  40           2HE      HIS  40  -1.170   1.011   4.997
  306    H    THR  41           H        THR  41  -6.168  -4.092   7.760
  307    HA   THR  41           HA       THR  41  -8.697  -4.180   6.413
  308    HB   THR  41           HB       THR  41  -9.196  -6.032   8.001
  309    HG1  THR  41           1HG      THR  41  -6.487  -5.854   8.811
  310   HG21  THR  41          3HG2      THR  41  -6.555  -6.248   6.552
  311   HG22  THR  41          1HG2      THR  41  -8.147  -6.476   5.828
  312   HG23  THR  41          2HG2      THR  41  -7.570  -7.597   7.062
  313    H    LYS  42           H        LYS  42 -10.735  -4.196   7.488
  314    HA   LYS  42           HA       LYS  42 -11.249  -2.123   9.323
  315    HB2  LYS  42           2HB      LYS  42 -12.989  -2.948   7.868
  316    HB3  LYS  42           1HB      LYS  42 -12.835  -4.571   8.520
  317    HG2  LYS  42           2HG      LYS  42 -13.755  -3.884  10.614
  318    HG3  LYS  42           1HG      LYS  42 -13.758  -2.192  10.108
  319    HD2  LYS  42           2HD      LYS  42 -15.420  -2.635   8.437
  320    HD3  LYS  42           1HD      LYS  42 -15.311  -4.373   8.721
  321    HE2  LYS  42           2HE      LYS  42 -17.291  -3.325   9.770
  322    HE3  LYS  42           1HE      LYS  42 -16.225  -4.127  10.921
  323    HZ1  LYS  42           3HZ      LYS  42 -15.352  -2.054  11.618
  324    HZ2  LYS  42           1HZ      LYS  42 -17.038  -1.912  11.636
  325    HZ3  LYS  42           2HZ      LYS  42 -16.144  -1.211  10.379
  326    H    LYS  43           H        LYS  43  -9.853  -5.130   9.700
  327    HA   LYS  43           HA       LYS  43 -10.696  -5.647  12.396
  328    HB2  LYS  43           2HB      LYS  43 -10.106  -7.381  10.600
  329    HB3  LYS  43           1HB      LYS  43  -8.431  -6.968  10.916
  330    HG2  LYS  43           2HG      LYS  43  -8.872  -8.905  12.166
  331    HG3  LYS  43           1HG      LYS  43  -8.876  -7.579  13.331
  332    HD2  LYS  43           2HD      LYS  43 -11.270  -7.543  13.374
  333    HD3  LYS  43           1HD      LYS  43 -11.358  -8.715  12.054
  334    HE2  LYS  43           2HE      LYS  43 -11.781  -9.854  14.125
  335    HE3  LYS  43           1HE      LYS  43 -10.205 -10.359  13.516
  336    HZ1  LYS  43           3HZ      LYS  43 -10.812  -8.536  15.770
  337    HZ2  LYS  43           1HZ      LYS  43  -9.285  -8.563  15.033
  338    HZ3  LYS  43           2HZ      LYS  43  -9.875  -9.955  15.780
  339    H    LYS  44           H        LYS  44  -8.741  -3.439  11.082
  340    HA   LYS  44           HA       LYS  44  -7.165  -2.003  11.847
  341    HB2  LYS  44           2HB      LYS  44  -7.438  -3.528  14.443
  342    HB3  LYS  44           1HB      LYS  44  -6.475  -2.070  14.244
  343    HG2  LYS  44           2HG      LYS  44  -8.518  -0.838  13.626
  344    HG3  LYS  44           1HG      LYS  44  -9.460  -2.304  13.906
  345    HD2  LYS  44           2HD      LYS  44  -8.709  -2.329  16.243
  346    HD3  LYS  44           1HD      LYS  44  -7.789  -0.852  15.960
  347    HE2  LYS  44           2HE      LYS  44 -10.781  -1.183  15.787
  348    HE3  LYS  44           1HE      LYS  44  -9.888  -0.317  17.035
  349    HZ1  LYS  44           3HZ      LYS  44 -10.751   1.261  15.499
  350    HZ2  LYS  44           1HZ      LYS  44 -10.126   0.416  14.171
  351    HZ3  LYS  44           2HZ      LYS  44  -9.075   1.187  15.256
  352    H    LEU  45           H        LEU  45  -6.664  -4.923  10.934
  353    HA   LEU  45           HA       LEU  45  -3.865  -5.119  11.813
  354    HB2  LEU  45           2HB      LEU  45  -5.654  -7.223  10.592
  355    HB3  LEU  45           1HB      LEU  45  -3.984  -7.467  11.063
  356    HG   LEU  45           HG       LEU  45  -6.230  -6.779  12.959
  357   HD11  LEU  45          1HD1      LEU  45  -4.818  -9.392  12.452
  358   HD12  LEU  45          2HD1      LEU  45  -6.483  -9.012  12.023
  359   HD13  LEU  45          3HD1      LEU  45  -6.007  -9.092  13.717
  360   HD21  LEU  45          3HD2      LEU  45  -4.066  -5.960  13.731
  361   HD22  LEU  45          1HD2      LEU  45  -3.353  -7.551  13.465
  362   HD23  LEU  45          2HD2      LEU  45  -4.589  -7.336  14.703
  363    H    SER  46           H        SER  46  -2.227  -5.189  10.324
  364    HA   SER  46           HA       SER  46  -2.939  -4.343   7.630
  365    HB2  SER  46           2HB      SER  46  -0.418  -3.989   7.462
  366    HB3  SER  46           1HB      SER  46  -1.277  -2.972   8.617
  367    HG   SER  46           HG       SER  46   0.687  -4.790   9.052
  368    H    VAL  47           H        VAL  47  -2.950  -5.656   5.966
  369    HA   VAL  47           HA       VAL  47  -1.775  -8.332   6.279
  370    HB   VAL  47           HB       VAL  47  -3.912  -7.396   4.349
  371   HG11  VAL  47          1HG1      VAL  47  -2.571  -9.223   3.435
  372   HG12  VAL  47          2HG1      VAL  47  -4.202  -9.764   3.821
  373   HG13  VAL  47          3HG1      VAL  47  -2.861 -10.175   4.889
  374   HG21  VAL  47          3HG2      VAL  47  -4.672  -7.472   6.687
  375   HG22  VAL  47          1HG2      VAL  47  -4.160  -9.158   6.787
  376   HG23  VAL  47          2HG2      VAL  47  -5.459  -8.693   5.686
  377    H    CYS  48           H        CYS  48  -0.215  -9.002   4.881
  378    HA   CYS  48           HA       CYS  48   0.948  -6.956   3.212
  379    HB2  CYS  48           2HB      CYS  48   1.910  -9.751   3.840
  380    HB3  CYS  48           1HB      CYS  48   2.825  -8.520   2.971
  381    H    ALA  49           H        ALA  49  -0.588  -6.809   1.632
  382    HA   ALA  49           HA       ALA  49  -1.411  -9.045   0.062
  383    HB1  ALA  49           1HB      ALA  49  -2.790  -7.036   0.336
  384    HB2  ALA  49           2HB      ALA  49  -2.464  -7.384  -1.361
  385    HB3  ALA  49           3HB      ALA  49  -1.582  -6.093  -0.540
  386    H    ASN  50           H        ASN  50  -0.832  -9.441  -2.111
  387    HA   ASN  50           HA       ASN  50   2.025  -9.180  -2.395
  388    HB2  ASN  50           2HB      ASN  50   0.346 -10.537  -4.467
  389    HB3  ASN  50           1HB      ASN  50   1.948 -10.961  -3.872
  390   HD21  ASN  50          1HD2      ASN  50   0.726 -10.650  -1.016
  391   HD22  ASN  50          2HD2      ASN  50  -0.016 -12.202  -0.802
  392    HA   PRO  51           HA       PRO  51   1.619  -6.242  -5.720
  393    HB2  PRO  51           2HB      PRO  51   4.303  -6.632  -6.562
  394    HB3  PRO  51           1HB      PRO  51   3.668  -5.338  -5.547
  395    HG2  PRO  51           2HG      PRO  51   5.411  -7.318  -4.699
  396    HG3  PRO  51           1HG      PRO  51   4.390  -6.335  -3.638
  397    HD2  PRO  51           2HD      PRO  51   3.969  -9.120  -4.630
  398    HD3  PRO  51           1HD      PRO  51   3.578  -8.400  -3.046
  399    H    LYS  52           H        LYS  52   0.901  -9.076  -6.368
  400    HA   LYS  52           HA       LYS  52   1.834  -9.139  -9.166
  401    HB2  LYS  52           2HB      LYS  52   1.723 -11.532  -7.324
  402    HB3  LYS  52           1HB      LYS  52   2.067 -11.596  -9.046
  403    HG2  LYS  52           2HG      LYS  52   4.066 -10.187  -8.658
  404    HG3  LYS  52           1HG      LYS  52   3.739 -10.262  -6.924
  405    HD2  LYS  52           2HD      LYS  52   5.407 -11.917  -7.511
  406    HD3  LYS  52           1HD      LYS  52   3.912 -12.727  -7.035
  407    HE2  LYS  52           2HE      LYS  52   3.327 -12.935  -9.439
  408    HE3  LYS  52           1HE      LYS  52   4.901 -12.251  -9.844
  409    HZ1  LYS  52           3HZ      LYS  52   5.962 -14.119  -8.733
  410    HZ2  LYS  52           1HZ      LYS  52   4.915 -14.665  -9.951
  411    HZ3  LYS  52           2HZ      LYS  52   4.444 -14.764  -8.327
  412    H    GLN  53           H        GLN  53  -0.366 -10.930  -7.032
  413    HA   GLN  53           HA       GLN  53  -2.170 -11.769  -8.972
  414    HB2  GLN  53           2HB      GLN  53  -3.700 -11.521  -6.676
  415    HB3  GLN  53           1HB      GLN  53  -2.780 -12.935  -7.171
  416    HG2  GLN  53           2HG      GLN  53  -2.289 -12.376  -4.878
  417    HG3  GLN  53           1HG      GLN  53  -0.867 -12.145  -5.870
  418   HE21  GLN  53          1HE2      GLN  53  -3.000 -10.728  -3.677
  419   HE22  GLN  53          2HE2      GLN  53  -2.389  -9.114  -3.753
  420    H    THR  54           H        THR  54  -4.155 -11.065  -9.676
  421    HA   THR  54           HA       THR  54  -4.215  -8.247 -10.082
  422    HB   THR  54           HB       THR  54  -6.440  -8.934 -11.295
  423    HG1  THR  54           1HG      THR  54  -6.406 -11.108 -11.923
  424   HG21  THR  54          3HG2      THR  54  -4.498  -8.127 -12.444
  425   HG22  THR  54          1HG2      THR  54  -5.066  -9.583 -13.263
  426   HG23  THR  54          2HG2      THR  54  -3.660  -9.662 -12.198
  427    H    TRP  55           H        TRP  55  -5.898 -10.315  -7.840
  428    HA   TRP  55           HA       TRP  55  -8.117  -8.644  -7.417
  429    HB2  TRP  55           2HB      TRP  55  -8.477  -9.760  -5.340
  430    HB3  TRP  55           1HB      TRP  55  -8.004 -10.937  -6.554
  431    HD1  TRP  55           HD       TRP  55  -5.688 -12.114  -6.186
  432    HE1  TRP  55           1HE      TRP  55  -4.148 -12.352  -4.215
  433    HE3  TRP  55           3HE      TRP  55  -7.635  -8.503  -3.437
  434    HZ2  TRP  55           2HZ      TRP  55  -3.771 -11.081  -1.719
  435    HZ3  TRP  55           3HZ      TRP  55  -6.688  -8.021  -1.328
  436    HH2  TRP  55           HH       TRP  55  -4.816  -9.257  -0.409
  437    H    VAL  56           H        VAL  56  -4.861  -8.540  -6.253
  438    HA   VAL  56           HA       VAL  56  -5.234  -6.403  -4.435
  439    HB   VAL  56           HB       VAL  56  -3.006  -7.916  -5.514
  440   HG11  VAL  56          1HG1      VAL  56  -1.273  -6.221  -5.207
  441   HG12  VAL  56          2HG1      VAL  56  -2.522  -4.988  -5.005
  442   HG13  VAL  56          3HG1      VAL  56  -2.350  -5.828  -6.546
  443   HG21  VAL  56          3HG2      VAL  56  -3.466  -6.348  -2.992
  444   HG22  VAL  56          1HG2      VAL  56  -2.085  -7.407  -3.283
  445   HG23  VAL  56          2HG2      VAL  56  -3.715  -8.077  -3.240
  446    H    LYS  57           H        LYS  57  -4.248  -6.608  -7.813
  447    HA   LYS  57           HA       LYS  57  -3.777  -3.865  -8.187
  448    HB2  LYS  57           2HB      LYS  57  -4.572  -5.924 -10.256
  449    HB3  LYS  57           1HB      LYS  57  -3.809  -4.373 -10.579
  450    HG2  LYS  57           2HG      LYS  57  -1.842  -5.108  -9.276
  451    HG3  LYS  57           1HG      LYS  57  -2.607  -6.683  -9.069
  452    HD2  LYS  57           2HD      LYS  57  -2.623  -6.980 -11.504
  453    HD3  LYS  57           1HD      LYS  57  -1.830  -5.414 -11.697
  454    HE2  LYS  57           2HE      LYS  57   0.055  -6.274 -10.315
  455    HE3  LYS  57           1HE      LYS  57  -0.727  -7.855 -10.306
  456    HZ1  LYS  57           3HZ      LYS  57   0.356  -6.394 -12.652
  457    HZ2  LYS  57           1HZ      LYS  57  -0.601  -7.792 -12.783
  458    HZ3  LYS  57           2HZ      LYS  57   0.904  -7.863 -12.007
  459    H    TYR  58           H        TYR  58  -6.680  -5.750  -8.161
  460    HA   TYR  58           HA       TYR  58  -8.354  -3.764  -9.332
  461    HB2  TYR  58           2HB      TYR  58  -9.269  -5.898  -9.422
  462    HB3  TYR  58           1HB      TYR  58  -8.789  -6.290  -7.776
  463    HD1  TYR  58           1HD      TYR  58 -10.986  -3.786  -9.501
  464    HD2  TYR  58           2HD      TYR  58 -10.493  -6.490  -6.257
  465    HE1  TYR  58           1HE      TYR  58 -13.250  -3.256  -8.718
  466    HE2  TYR  58           2HE      TYR  58 -12.757  -5.966  -5.470
  467    HH   TYR  58           HH       TYR  58 -15.012  -4.194  -7.367
  468    H    ILE  59           H        ILE  59  -7.672  -4.767  -5.968
  469    HA   ILE  59           HA       ILE  59  -9.364  -2.842  -4.781
  470    HB   ILE  59           HB       ILE  59  -6.956  -4.203  -3.565
  471   HG12  ILE  59          2HG1      ILE  59  -9.882  -4.932  -3.324
  472   HG13  ILE  59          1HG1      ILE  59  -8.765  -5.716  -4.431
  473   HG21  ILE  59          1HG2      ILE  59  -9.273  -2.752  -2.278
  474   HG22  ILE  59          2HG2      ILE  59  -7.588  -2.229  -2.303
  475   HG23  ILE  59          3HG2      ILE  59  -8.048  -3.681  -1.413
  476   HD11  ILE  59          3HD1      ILE  59  -9.104  -7.004  -2.389
  477   HD12  ILE  59          1HD1      ILE  59  -8.483  -5.650  -1.443
  478   HD13  ILE  59          2HD1      ILE  59  -7.425  -6.494  -2.577
  479    H    VAL  60           H        VAL  60  -5.839  -2.855  -5.357
  480    HA   VAL  60           HA       VAL  60  -5.390  -0.318  -4.183
  481    HB   VAL  60           HB       VAL  60  -3.556  -1.932  -4.506
  482   HG11  VAL  60          1HG1      VAL  60  -2.526  -2.224  -6.700
  483   HG12  VAL  60          2HG1      VAL  60  -3.789  -1.240  -7.437
  484   HG13  VAL  60          3HG1      VAL  60  -4.196  -2.792  -6.709
  485   HG21  VAL  60          3HG2      VAL  60  -3.037   0.425  -4.196
  486   HG22  VAL  60          1HG2      VAL  60  -3.117   0.684  -5.939
  487   HG23  VAL  60          2HG2      VAL  60  -1.860  -0.348  -5.258
  488    H    ARG  61           H        ARG  61  -6.362  -1.305  -7.404
  489    HA   ARG  61           HA       ARG  61  -6.029   1.170  -8.713
  490    HB2  ARG  61           2HB      ARG  61  -6.615  -1.073  -9.753
  491    HB3  ARG  61           1HB      ARG  61  -8.261  -0.801  -9.203
  492    HG2  ARG  61           2HG      ARG  61  -8.350   1.260 -10.545
  493    HG3  ARG  61           1HG      ARG  61  -6.721   0.919 -11.136
  494    HD2  ARG  61           2HD      ARG  61  -9.205  -0.735 -11.561
  495    HD3  ARG  61           1HD      ARG  61  -8.295   0.161 -12.776
  496    HE   ARG  61           HE       ARG  61  -6.582  -1.688 -11.561
  497   HH11  ARG  61          1HH1      ARG  61  -9.338  -1.608 -13.736
  498   HH12  ARG  61          2HH1      ARG  61  -8.952  -3.147 -14.460
  499   HH21  ARG  61          1HH2      ARG  61  -6.121  -3.724 -12.507
  500   HH22  ARG  61          2HH2      ARG  61  -7.151  -4.331 -13.763
  501    H    LEU  62           H        LEU  62  -8.705  -0.214  -6.858
  502    HA   LEU  62           HA       LEU  62 -10.455   1.982  -7.138
  503    HB2  LEU  62           2HB      LEU  62 -10.278  -0.190  -5.057
  504    HB3  LEU  62           1HB      LEU  62 -11.531   1.036  -5.041
  505    HG   LEU  62           HG       LEU  62 -11.060  -1.007  -7.212
  506   HD11  LEU  62          1HD1      LEU  62 -13.262  -0.724  -5.179
  507   HD12  LEU  62          2HD1      LEU  62 -11.993  -1.947  -5.170
  508   HD13  LEU  62          3HD1      LEU  62 -13.190  -1.930  -6.464
  509   HD21  LEU  62          3HD2      LEU  62 -11.909   1.105  -8.126
  510   HD22  LEU  62          1HD2      LEU  62 -13.232   1.071  -6.963
  511   HD23  LEU  62          2HD2      LEU  62 -13.119  -0.174  -8.205
  512    H    LEU  63           H        LEU  63  -8.088   1.145  -4.640
  513    HA   LEU  63           HA       LEU  63  -8.512   3.314  -2.948
  514    HB2  LEU  63           2HB      LEU  63  -6.250   1.499  -3.503
  515    HB3  LEU  63           1HB      LEU  63  -5.874   2.997  -2.675
  516    HG   LEU  63           HG       LEU  63  -6.210   1.219  -1.071
  517   HD11  LEU  63          1HD1      LEU  63  -8.495   3.180  -1.049
  518   HD12  LEU  63          2HD1      LEU  63  -6.876   3.451  -0.402
  519   HD13  LEU  63          3HD1      LEU  63  -7.928   2.240   0.330
  520   HD21  LEU  63          3HD2      LEU  63  -8.343   0.099  -0.792
  521   HD22  LEU  63          1HD2      LEU  63  -7.687  -0.209  -2.399
  522   HD23  LEU  63          2HD2      LEU  63  -8.995   0.956  -2.188
  523    H    SER  64           H        SER  64  -6.323   3.032  -5.725
  524    HA   SER  64           HA       SER  64  -5.225   5.627  -5.456
  525    HB2  SER  64           2HB      SER  64  -5.352   3.883  -7.924
  526    HB3  SER  64           1HB      SER  64  -4.248   5.228  -7.651
  527    HG   SER  64           HG       SER  64  -4.296   2.686  -6.431
  528    H    LYS  65           H        LYS  65  -8.245   4.586  -6.693
  529    HA   LYS  65           HA       LYS  65  -8.520   7.065  -8.241
  530    HB2  LYS  65           2HB      LYS  65 -10.088   4.492  -8.407
  531    HB3  LYS  65           1HB      LYS  65 -10.472   5.946  -9.318
  532    HG2  LYS  65           2HG      LYS  65  -7.862   4.459  -9.512
  533    HG3  LYS  65           1HG      LYS  65  -9.223   4.249 -10.617
  534    HD2  LYS  65           2HD      LYS  65  -7.768   6.855 -10.128
  535    HD3  LYS  65           1HD      LYS  65  -7.482   5.776 -11.494
  536    HE2  LYS  65           2HE      LYS  65  -9.834   6.049 -12.176
  537    HE3  LYS  65           1HE      LYS  65 -10.071   7.173 -10.838
  538    HZ1  LYS  65           3HZ      LYS  65  -9.687   8.353 -12.899
  539    HZ2  LYS  65           1HZ      LYS  65  -8.207   7.552 -13.122
  540    HZ3  LYS  65           2HZ      LYS  65  -8.400   8.627 -11.833
  541    H    LYS  66           H        LYS  66  -9.172   6.001  -5.261
  542    HA   LYS  66           HA       LYS  66 -11.671   7.558  -5.117
  543    HB2  LYS  66           2HB      LYS  66 -11.825   5.063  -4.579
  544    HB3  LYS  66           1HB      LYS  66 -10.902   5.428  -3.127
  545    HG2  LYS  66           2HG      LYS  66 -12.641   6.952  -2.375
  546    HG3  LYS  66           1HG      LYS  66 -13.560   6.650  -3.850
  547    HD2  LYS  66           2HD      LYS  66 -13.716   4.264  -3.211
  548    HD3  LYS  66           1HD      LYS  66 -12.899   4.650  -1.691
  549    HE2  LYS  66           2HE      LYS  66 -14.708   6.197  -1.110
  550    HE3  LYS  66           1HE      LYS  66 -15.520   5.827  -2.630
  551    HZ1  LYS  66           3HZ      LYS  66 -15.043   3.981  -0.359
  552    HZ2  LYS  66           1HZ      LYS  66 -15.650   3.487  -1.865
  553    HZ3  LYS  66           2HZ      LYS  66 -16.530   4.567  -0.906
  554    H    VAL  67           H        VAL  67  -8.469   7.595  -4.404
  555    HA   VAL  67           HA       VAL  67  -8.492   8.782  -1.822
  556    HB   VAL  67           HB       VAL  67  -6.179   9.613  -2.442
  557   HG11  VAL  67          1HG1      VAL  67  -5.178   7.397  -2.313
  558   HG12  VAL  67          2HG1      VAL  67  -6.714   6.663  -2.776
  559   HG13  VAL  67          3HG1      VAL  67  -6.572   7.517  -1.239
  560   HG21  VAL  67          3HG2      VAL  67  -5.136   8.773  -4.443
  561   HG22  VAL  67          1HG2      VAL  67  -6.569   9.701  -4.884
  562   HG23  VAL  67          2HG2      VAL  67  -6.617   7.936  -4.911
  563    H    LYS  68           H        LYS  68  -8.654  10.861  -1.203
  564    HA   LYS  68           HA       LYS  68  -9.610  12.751  -3.172
  565    HB2  LYS  68           2HB      LYS  68  -9.419  12.802  -0.169
  566    HB3  LYS  68           1HB      LYS  68  -9.814  14.249  -1.088
  567    HG2  LYS  68           2HG      LYS  68 -11.362  11.674  -1.266
  568    HG3  LYS  68           1HG      LYS  68 -11.778  13.007  -0.184
  569    HD2  LYS  68           2HD      LYS  68 -11.351  13.799  -2.975
  570    HD3  LYS  68           1HD      LYS  68 -12.710  12.700  -2.733
  571    HE2  LYS  68           2HE      LYS  68 -13.469  14.997  -2.600
  572    HE3  LYS  68           1HE      LYS  68 -13.616  14.218  -1.028
  573    HZ1  LYS  68           3HZ      LYS  68 -11.478  15.309  -0.418
  574    HZ2  LYS  68           1HZ      LYS  68 -12.748  16.393  -0.715
  575    HZ3  LYS  68           2HZ      LYS  68 -11.537  16.163  -1.885
  576    H    ASN  69           H        ASN  69  -7.798  13.230  -4.392
  577    HA   ASN  69           HA       ASN  69  -5.593  14.595  -3.074
  578    HB2  ASN  69           2HB      ASN  69  -4.626  14.812  -5.315
  579    HB3  ASN  69           1HB      ASN  69  -5.108  13.147  -5.018
  580   HD21  ASN  69          1HD2      ASN  69  -5.658  15.994  -6.875
  581   HD22  ASN  69          2HD2      ASN  69  -6.755  15.289  -8.011
  582    H    MET  70           H        MET  70  -8.652  15.283  -3.903
  583    HA   MET  70           HA       MET  70  -8.105  18.159  -3.987
  584    HB2  MET  70           2HB      MET  70 -10.167  16.659  -5.618
  585    HB3  MET  70           1HB      MET  70 -10.151  18.407  -5.432
  586    HG2  MET  70           2HG      MET  70  -7.982  18.519  -6.515
  587    HG3  MET  70           1HG      MET  70  -7.939  16.764  -6.651
  588    HE1  MET  70           3HE      MET  70  -9.605  15.362  -8.150
  589    HE2  MET  70           1HE      MET  70 -10.837  16.067  -9.197
  590    HE3  MET  70           2HE      MET  70 -11.021  16.137  -7.440
  Start of MODEL   10
    1    H1   ALA   1           1HT      ALA   1  15.554   7.963   6.966
    2    H2   ALA   1           2HT      ALA   1  17.221   8.255   6.908
    3    H3   ALA   1           3HT      ALA   1  16.640   6.762   7.464
    4    HA   ALA   1           HA       ALA   1  16.471   7.835   4.707
    5    HB1  ALA   1           1HB      ALA   1  17.843   5.896   4.122
    6    HB2  ALA   1           2HB      ALA   1  17.922   5.439   5.823
    7    HB3  ALA   1           3HB      ALA   1  18.663   6.945   5.280
    8    H    SER   2           H        SER   2  16.061   4.680   6.388
    9    HA   SER   2           HA       SER   2  13.992   3.913   4.579
   10    HB2  SER   2           2HB      SER   2  14.748   2.695   7.248
   11    HB3  SER   2           1HB      SER   2  13.737   1.943   6.012
   12    HG   SER   2           HG       SER   2  15.722   1.145   5.619
   13    H    ASN   3           H        ASN   3  12.147   4.998   4.573
   14    HA   ASN   3           HA       ASN   3  10.938   6.309   6.741
   15    HB2  ASN   3           2HB      ASN   3  10.356   6.850   4.443
   16    HB3  ASN   3           1HB      ASN   3   9.742   5.221   4.182
   17   HD21  ASN   3          1HD2      ASN   3   7.728   5.977   3.573
   18   HD22  ASN   3          2HD2      ASN   3   6.606   6.625   4.729
   19    H    PHE   4           H        PHE   4  10.129   3.222   5.224
   20    HA   PHE   4           HA       PHE   4   9.172   2.273   7.828
   21    HB2  PHE   4           2HB      PHE   4   7.389   0.994   6.575
   22    HB3  PHE   4           1HB      PHE   4   7.176   2.734   6.633
   23    HD1  PHE   4           2HD      PHE   4   9.143   0.485   4.398
   24    HD2  PHE   4           1HD      PHE   4   6.148   3.486   4.743
   25    HE1  PHE   4           2HE      PHE   4   8.948   0.557   1.953
   26    HE2  PHE   4           1HE      PHE   4   5.937   3.559   2.292
   27    HZ   PHE   4           HZ       PHE   4   7.340   2.088   0.893
   28    H    ASP   5           H        ASP   5   8.774  -0.251   7.555
   29    HA   ASP   5           HA       ASP   5  10.953  -1.339   5.917
   30    HB2  ASP   5           2HB      ASP   5  11.252  -3.125   7.544
   31    HB3  ASP   5           1HB      ASP   5  11.455  -1.558   8.312
   32    H    CYS   6           H        CYS   6  10.018  -2.112   4.164
   33    HA   CYS   6           HA       CYS   6   7.763  -3.317   3.564
   34    HB2  CYS   6           2HB      CYS   6   8.968  -4.742   2.014
   35    HB3  CYS   6           1HB      CYS   6   9.717  -3.152   2.075
   36    H    CYS   7           H        CYS   7   6.698  -5.199   3.818
   37    HA   CYS   7           HA       CYS   7   6.823  -6.545   6.241
   38    HB2  CYS   7           2HB      CYS   7   5.657  -7.459   3.609
   39    HB3  CYS   7           1HB      CYS   7   5.305  -8.183   5.173
   40    H    LEU   8           H        LEU   8   7.697  -8.448   6.912
   41    HA   LEU   8           HA       LEU   8   9.854  -9.571   5.345
   42    HB2  LEU   8           2HB      LEU   8   8.740 -10.401   8.033
   43    HB3  LEU   8           1HB      LEU   8  10.197 -11.041   7.297
   44    HG   LEU   8           HG       LEU   8   9.783  -8.183   8.192
   45   HD11  LEU   8          1HD1      LEU   8  11.523 -10.374   9.317
   46   HD12  LEU   8          2HD1      LEU   8  10.024  -9.788  10.034
   47   HD13  LEU   8          3HD1      LEU   8  11.419  -8.716   9.909
   48   HD21  LEU   8          3HD2      LEU   8  11.230  -8.327   6.225
   49   HD22  LEU   8          1HD2      LEU   8  12.219  -9.541   7.037
   50   HD23  LEU   8          2HD2      LEU   8  12.152  -7.895   7.666
   51    H    GLY   9           H        GLY   9   6.763  -9.821   4.914
   52    HA2  GLY   9           2HA      GLY   9   6.863 -12.284   3.536
   53    HA3  GLY   9           1HA      GLY   9   5.964 -12.465   5.038
   54    H    TYR  10           H        TYR  10   4.764 -12.837   2.581
   55    HA   TYR  10           HA       TYR  10   3.036 -10.457   2.352
   56    HB2  TYR  10           2HB      TYR  10   3.652 -12.536   0.236
   57    HB3  TYR  10           1HB      TYR  10   2.509 -11.219   0.059
   58    HD1  TYR  10           2HD      TYR  10   6.114 -11.888   0.692
   59    HD2  TYR  10           1HD      TYR  10   3.213  -9.169  -0.856
   60    HE1  TYR  10           2HE      TYR  10   7.909 -10.480  -0.209
   61    HE2  TYR  10           1HE      TYR  10   5.011  -7.766  -1.760
   62    HH   TYR  10           HH       TYR  10   8.193  -8.813  -2.034
   63    H    THR  11           H        THR  11   0.835 -11.260   1.263
   64    HA   THR  11           HA       THR  11  -0.210 -13.363   3.005
   65    HB   THR  11           HB       THR  11  -1.388 -11.148   2.851
   66    HG1  THR  11           1HG      THR  11  -2.522 -13.108   3.435
   67   HG21  THR  11          3HG2      THR  11  -2.135 -12.092   0.084
   68   HG22  THR  11          1HG2      THR  11  -1.026 -10.766   0.442
   69   HG23  THR  11          2HG2      THR  11  -2.726 -10.642   0.893
   70    H    ASP  12           H        ASP  12  -2.186 -14.539   1.731
   71    HA   ASP  12           HA       ASP  12  -1.304 -15.388  -0.919
   72    HB2  ASP  12           2HB      ASP  12  -1.301 -17.739  -0.342
   73    HB3  ASP  12           1HB      ASP  12  -0.192 -16.894   0.732
   74    H    ARG  13           H        ARG  13  -3.609 -13.914   0.253
   75    HA   ARG  13           HA       ARG  13  -5.803 -15.826  -0.196
   76    HB2  ARG  13           2HB      ARG  13  -5.734 -13.251   1.368
   77    HB3  ARG  13           1HB      ARG  13  -7.208 -14.153   1.026
   78    HG2  ARG  13           2HG      ARG  13  -6.076 -16.155   2.124
   79    HG3  ARG  13           1HG      ARG  13  -4.877 -15.006   2.716
   80    HD2  ARG  13           2HD      ARG  13  -6.410 -13.916   4.078
   81    HD3  ARG  13           1HD      ARG  13  -7.798 -14.530   3.175
   82    HE   ARG  13           HE       ARG  13  -6.907 -16.800   4.113
   83   HH11  ARG  13          1HH1      ARG  13  -7.064 -13.736   5.825
   84   HH12  ARG  13          2HH1      ARG  13  -7.232 -14.485   7.384
   85   HH21  ARG  13          1HH2      ARG  13  -7.126 -17.756   6.153
   86   HH22  ARG  13          2HH2      ARG  13  -7.256 -16.755   7.567
   87    H    ILE  14           H        ILE  14  -7.883 -14.527  -0.666
   88    HA   ILE  14           HA       ILE  14  -7.424 -12.426  -2.677
   89    HB   ILE  14           HB       ILE  14  -9.842 -14.238  -2.403
   90   HG12  ILE  14          2HG1      ILE  14  -7.619 -15.255  -3.277
   91   HG13  ILE  14          1HG1      ILE  14  -9.094 -15.531  -4.199
   92   HG21  ILE  14          1HG2      ILE  14  -9.124 -12.194  -4.490
   93   HG22  ILE  14          2HG2      ILE  14 -10.414 -12.068  -3.294
   94   HG23  ILE  14          3HG2      ILE  14 -10.509 -13.283  -4.570
   95   HD11  ILE  14          3HD1      ILE  14  -7.222 -14.975  -5.646
   96   HD12  ILE  14          1HD1      ILE  14  -7.017 -13.442  -4.794
   97   HD13  ILE  14          2HD1      ILE  14  -8.488 -13.744  -5.723
   98    H    LEU  15           H        LEU  15  -7.282 -10.968  -0.772
   99    HA   LEU  15           HA       LEU  15  -9.593 -10.707   0.929
  100    HB2  LEU  15           2HB      LEU  15  -7.207  -8.887   0.560
  101    HB3  LEU  15           1HB      LEU  15  -8.495  -8.598   1.711
  102    HG   LEU  15           HG       LEU  15  -6.770  -9.500   2.980
  103   HD11  LEU  15          1HD1      LEU  15  -8.892 -10.555   3.475
  104   HD12  LEU  15          2HD1      LEU  15  -7.559 -11.684   3.718
  105   HD13  LEU  15          3HD1      LEU  15  -8.568 -11.807   2.277
  106   HD21  LEU  15          3HD2      LEU  15  -5.509 -11.499   2.408
  107   HD22  LEU  15          1HD2      LEU  15  -5.335 -10.260   1.170
  108   HD23  LEU  15          2HD2      LEU  15  -6.396 -11.640   0.889
  109    H    HIS  16           H        HIS  16 -10.883  -8.664   0.967
  110    HA   HIS  16           HA       HIS  16 -11.059  -7.518  -1.745
  111    HB2  HIS  16           2HB      HIS  16 -13.396  -8.438  -0.068
  112    HB3  HIS  16           1HB      HIS  16 -13.501  -7.627  -1.625
  113    HD1  HIS  16           1HD      HIS  16 -14.723 -10.374  -1.057
  114    HD2  HIS  16           2HD      HIS  16 -11.001  -9.795  -2.807
  115    HE1  HIS  16           1HE      HIS  16 -14.308 -12.394  -2.389
  116    HE2  HIS  16           2HE      HIS  16 -12.204 -11.933  -3.674
  117    HA   PRO  17           HA       PRO  17 -12.103  -3.564   0.206
  118    HB2  PRO  17           2HB      PRO  17 -14.694  -3.208  -0.809
  119    HB3  PRO  17           1HB      PRO  17 -13.209  -2.622  -1.564
  120    HG2  PRO  17           2HG      PRO  17 -14.808  -5.064  -2.170
  121    HG3  PRO  17           1HG      PRO  17 -13.914  -4.002  -3.273
  122    HD2  PRO  17           2HD      PRO  17 -12.971  -6.415  -2.559
  123    HD3  PRO  17           1HD      PRO  17 -11.884  -5.022  -2.803
  124    H    LYS  18           H        LYS  18 -14.247  -6.265   0.036
  125    HA   LYS  18           HA       LYS  18 -16.093  -6.034   2.014
  126    HB2  LYS  18           2HB      LYS  18 -14.354  -8.402   1.289
  127    HB3  LYS  18           1HB      LYS  18 -15.750  -8.547   2.330
  128    HG2  LYS  18           2HG      LYS  18 -17.129  -7.672   0.405
  129    HG3  LYS  18           1HG      LYS  18 -15.685  -7.854  -0.590
  130    HD2  LYS  18           2HD      LYS  18 -15.593 -10.223  -0.021
  131    HD3  LYS  18           1HD      LYS  18 -17.021 -10.042   0.998
  132    HE2  LYS  18           2HE      LYS  18 -16.939  -9.522  -1.973
  133    HE3  LYS  18           1HE      LYS  18 -17.516 -11.010  -1.224
  134    HZ1  LYS  18           3HZ      LYS  18 -18.697  -8.296  -0.960
  135    HZ2  LYS  18           1HZ      LYS  18 -19.185  -9.641  -0.038
  136    HZ3  LYS  18           2HZ      LYS  18 -19.376  -9.647  -1.725
  137    H    PHE  19           H        PHE  19 -12.618  -6.503   2.427
  138    HA   PHE  19           HA       PHE  19 -13.016  -6.511   5.350
  139    HB2  PHE  19           2HB      PHE  19 -10.864  -8.005   3.841
  140    HB3  PHE  19           1HB      PHE  19 -11.134  -8.041   5.578
  141    HD1  PHE  19           1HD      PHE  19 -13.094  -9.213   6.498
  142    HD2  PHE  19           2HD      PHE  19 -12.153  -9.328   2.347
  143    HE1  PHE  19           1HE      PHE  19 -14.592 -11.143   6.214
  144    HE2  PHE  19           2HE      PHE  19 -13.652 -11.258   2.055
  145    HZ   PHE  19           HZ       PHE  19 -14.875 -12.166   3.992
  146    H    ILE  20           H        ILE  20 -11.820  -4.764   2.833
  147    HA   ILE  20           HA       ILE  20  -9.399  -3.905   4.263
  148    HB   ILE  20           HB       ILE  20 -10.160  -3.786   1.353
  149   HG12  ILE  20          2HG1      ILE  20  -7.479  -4.592   2.365
  150   HG13  ILE  20          1HG1      ILE  20  -8.827  -5.687   2.680
  151   HG21  ILE  20          1HG2      ILE  20  -9.310  -1.563   1.946
  152   HG22  ILE  20          2HG2      ILE  20  -8.187  -2.434   0.902
  153   HG23  ILE  20          3HG2      ILE  20  -7.863  -2.306   2.631
  154   HD11  ILE  20          3HD1      ILE  20  -7.910  -4.694  -0.003
  155   HD12  ILE  20          1HD1      ILE  20  -9.268  -5.781   0.279
  156   HD13  ILE  20          2HD1      ILE  20  -7.628  -6.297   0.672
  157    H    VAL  21           H        VAL  21  -9.625  -2.175   5.462
  158    HA   VAL  21           HA       VAL  21 -11.472  -0.053   4.590
  159    HB   VAL  21           HB       VAL  21 -11.528   0.688   6.943
  160   HG11  VAL  21          1HG1      VAL  21 -12.291  -2.205   6.538
  161   HG12  VAL  21          2HG1      VAL  21 -13.263  -0.798   6.107
  162   HG13  VAL  21          3HG1      VAL  21 -12.918  -1.144   7.800
  163   HG21  VAL  21          3HG2      VAL  21  -9.350  -0.164   7.649
  164   HG22  VAL  21          1HG2      VAL  21  -9.939  -1.820   7.499
  165   HG23  VAL  21          2HG2      VAL  21 -10.630  -0.744   8.714
  166    H    GLY  22           H        GLY  22  -8.274  -0.859   4.722
  167    HA2  GLY  22           2HA      GLY  22  -7.464   1.916   4.386
  168    HA3  GLY  22           1HA      GLY  22  -6.694   1.031   5.698
  169    H    PHE  23           H        PHE  23  -5.271   2.109   3.524
  170    HA   PHE  23           HA       PHE  23  -4.030  -0.286   2.414
  171    HB2  PHE  23           2HB      PHE  23  -5.535  -0.113   0.716
  172    HB3  PHE  23           1HB      PHE  23  -5.720   1.627   0.891
  173    HD1  PHE  23           1HD      PHE  23  -3.776  -1.057  -0.578
  174    HD2  PHE  23           2HD      PHE  23  -4.200   3.133  -0.121
  175    HE1  PHE  23           1HE      PHE  23  -2.248  -0.714  -2.459
  176    HE2  PHE  23           2HE      PHE  23  -2.667   3.497  -2.027
  177    HZ   PHE  23           HZ       PHE  23  -1.713   1.548  -3.167
  178    H    THR  24           H        THR  24  -1.948  -0.001   2.134
  179    HA   THR  24           HA       THR  24  -0.849   2.676   1.753
  180    HB   THR  24           HB       THR  24   0.219   0.795   3.866
  181    HG1  THR  24           1HG      THR  24  -1.124   3.300   4.165
  182   HG21  THR  24          3HG2      THR  24   1.941   2.171   2.754
  183   HG22  THR  24          1HG2      THR  24   1.719   2.631   4.442
  184   HG23  THR  24          2HG2      THR  24   1.026   3.623   3.159
  185    H    ARG  25           H        ARG  25   0.003   2.313  -0.249
  186    HA   ARG  25           HA       ARG  25   1.188  -0.199  -0.919
  187    HB2  ARG  25           2HB      ARG  25   1.867   0.924  -3.042
  188    HB3  ARG  25           1HB      ARG  25   0.144   0.995  -2.700
  189    HG2  ARG  25           2HG      ARG  25   0.227   3.280  -2.166
  190    HG3  ARG  25           1HG      ARG  25   1.987   3.271  -2.027
  191    HD2  ARG  25           2HD      ARG  25   1.064   4.329  -4.121
  192    HD3  ARG  25           1HD      ARG  25   2.254   3.056  -4.380
  193    HE   ARG  25           HE       ARG  25  -0.294   1.904  -4.436
  194   HH11  ARG  25          1HH1      ARG  25   1.606   4.160  -6.330
  195   HH12  ARG  25          2HH1      ARG  25   0.877   3.683  -7.837
  196   HH21  ARG  25          1HH2      ARG  25  -1.261   1.310  -6.435
  197   HH22  ARG  25          2HH2      ARG  25  -0.724   2.072  -7.898
  198    H    GLN  26           H        GLN  26   2.925  -0.786   0.101
  199    HA   GLN  26           HA       GLN  26   4.985   1.101   0.864
  200    HB2  GLN  26           2HB      GLN  26   4.433  -0.360   2.566
  201    HB3  GLN  26           1HB      GLN  26   4.206  -1.715   1.478
  202    HG2  GLN  26           2HG      GLN  26   6.695  -1.730   1.183
  203    HG3  GLN  26           1HG      GLN  26   6.767  -0.564   2.512
  204   HE21  GLN  26          1HE2      GLN  26   6.077  -1.200   4.571
  205   HE22  GLN  26          2HE2      GLN  26   5.942  -2.865   5.004
  206    H    LEU  27           H        LEU  27   6.902   1.314  -0.193
  207    HA   LEU  27           HA       LEU  27   7.158  -0.293  -2.643
  208    HB2  LEU  27           2HB      LEU  27   7.864   2.556  -2.034
  209    HB3  LEU  27           1HB      LEU  27   8.663   1.705  -3.338
  210    HG   LEU  27           HG       LEU  27   6.304   1.243  -4.246
  211   HD11  LEU  27          1HD1      LEU  27   4.589   2.822  -3.618
  212   HD12  LEU  27          2HD1      LEU  27   5.654   3.540  -2.410
  213   HD13  LEU  27          3HD1      LEU  27   5.091   1.879  -2.215
  214   HD21  LEU  27          3HD2      LEU  27   7.895   2.773  -5.275
  215   HD22  LEU  27          1HD2      LEU  27   7.375   4.061  -4.190
  216   HD23  LEU  27          2HD2      LEU  27   6.251   3.403  -5.380
  217    H    ALA  28           H        ALA  28   9.454  -0.221  -3.540
  218    HA   ALA  28           HA       ALA  28  11.261  -1.208  -1.452
  219    HB1  ALA  28           1HB      ALA  28  11.439  -1.477  -4.457
  220    HB2  ALA  28           2HB      ALA  28  10.748  -2.681  -3.370
  221    HB3  ALA  28           3HB      ALA  28  12.463  -2.285  -3.267
  222    H    ASN  29           H        ASN  29  10.666   1.661  -2.304
  223    HA   ASN  29           HA       ASN  29  13.388   2.469  -3.092
  224    HB2  ASN  29           2HB      ASN  29  10.716   3.725  -3.754
  225    HB3  ASN  29           1HB      ASN  29  12.272   4.469  -4.118
  226   HD21  ASN  29          1HD2      ASN  29   9.938   3.191  -5.711
  227   HD22  ASN  29          2HD2      ASN  29  10.768   2.235  -6.883
  228    H    GLU  30           H        GLU  30  11.644   2.253  -0.454
  229    HA   GLU  30           HA       GLU  30  12.386   4.921   0.560
  230    HB2  GLU  30           2HB      GLU  30  10.021   3.190   1.292
  231    HB3  GLU  30           1HB      GLU  30  10.505   4.616   2.203
  232    HG2  GLU  30           2HG      GLU  30  10.184   5.991   0.208
  233    HG3  GLU  30           1HG      GLU  30   9.671   4.561  -0.685
  234    H    GLY  31           H        GLY  31  14.112   2.676   0.520
  235    HA2  GLY  31           2HA      GLY  31  15.754   2.364   2.285
  236    HA3  GLY  31           1HA      GLY  31  14.416   2.275   3.424
  237    H    CYS  32           H        CYS  32  12.784   0.481   2.785
  238    HA   CYS  32           HA       CYS  32  14.186  -1.997   2.799
  239    HB2  CYS  32           2HB      CYS  32  11.665  -1.155   3.563
  240    HB3  CYS  32           1HB      CYS  32  11.342  -2.162   2.152
  241    H    ASP  33           H        ASP  33  14.217  -3.609   1.170
  242    HA   ASP  33           HA       ASP  33  14.278  -2.357  -1.471
  243    HB2  ASP  33           2HB      ASP  33  15.762  -4.280  -2.064
  244    HB3  ASP  33           1HB      ASP  33  16.378  -3.248  -0.780
  245    H    ILE  34           H        ILE  34  11.983  -4.040   0.043
  246    HA   ILE  34           HA       ILE  34  11.128  -5.156  -2.538
  247    HB   ILE  34           HB       ILE  34  10.131  -7.058  -1.632
  248   HG12  ILE  34          2HG1      ILE  34  10.480  -5.917   1.153
  249   HG13  ILE  34          1HG1      ILE  34   8.971  -5.922   0.247
  250   HG21  ILE  34          1HG2      ILE  34  12.568  -7.235  -1.621
  251   HG22  ILE  34          2HG2      ILE  34  11.849  -8.198  -0.328
  252   HG23  ILE  34          3HG2      ILE  34  12.603  -6.645   0.042
  253   HD11  ILE  34          3HD1      ILE  34   9.057  -7.702   1.918
  254   HD12  ILE  34          1HD1      ILE  34  10.482  -8.371   1.127
  255   HD13  ILE  34          2HD1      ILE  34   8.934  -8.350   0.281
  256    H    ASN  35           H        ASN  35   8.750  -5.134  -2.839
  257    HA   ASN  35           HA       ASN  35   7.555  -2.982  -1.239
  258    HB2  ASN  35           2HB      ASN  35   6.276  -2.341  -3.336
  259    HB3  ASN  35           1HB      ASN  35   7.992  -1.963  -3.326
  260   HD21  ASN  35          1HD2      ASN  35   9.282  -2.797  -4.869
  261   HD22  ASN  35          2HD2      ASN  35   8.742  -3.853  -6.136
  262    H    ALA  36           H        ALA  36   5.815  -3.516  -0.169
  263    HA   ALA  36           HA       ALA  36   4.123  -5.684  -1.248
  264    HB1  ALA  36           1HB      ALA  36   3.554  -6.282   1.055
  265    HB2  ALA  36           2HB      ALA  36   4.653  -5.034   1.646
  266    HB3  ALA  36           3HB      ALA  36   5.287  -6.420   0.757
  267    H    ILE  37           H        ILE  37   1.961  -5.299  -1.398
  268    HA   ILE  37           HA       ILE  37   1.056  -2.588  -0.975
  269    HB   ILE  37           HB       ILE  37  -0.485  -4.998  -1.955
  270   HG12  ILE  37          2HG1      ILE  37   1.397  -4.485  -3.435
  271   HG13  ILE  37          1HG1      ILE  37  -0.123  -4.060  -4.213
  272   HG21  ILE  37          1HG2      ILE  37  -1.920  -3.242  -1.071
  273   HG22  ILE  37          2HG2      ILE  37  -2.078  -3.362  -2.825
  274   HG23  ILE  37          3HG2      ILE  37  -1.126  -2.061  -2.111
  275   HD11  ILE  37          3HD1      ILE  37   0.242  -1.729  -3.710
  276   HD12  ILE  37          1HD1      ILE  37   1.620  -2.393  -4.588
  277   HD13  ILE  37          2HD1      ILE  37   1.727  -2.126  -2.847
  278    H    ILE  38           H        ILE  38   0.792  -2.161   1.183
  279    HA   ILE  38           HA       ILE  38  -0.223  -4.148   2.982
  280    HB   ILE  38           HB       ILE  38   0.233  -1.202   3.470
  281   HG12  ILE  38          2HG1      ILE  38   2.011  -3.561   4.104
  282   HG13  ILE  38          1HG1      ILE  38   2.274  -2.438   2.773
  283   HG21  ILE  38          1HG2      ILE  38   0.293  -1.848   5.832
  284   HG22  ILE  38          2HG2      ILE  38  -0.138  -3.498   5.382
  285   HG23  ILE  38          3HG2      ILE  38  -1.274  -2.179   5.091
  286   HD11  ILE  38          3HD1      ILE  38   3.702  -1.911   4.658
  287   HD12  ILE  38          1HD1      ILE  38   2.292  -1.742   5.703
  288   HD13  ILE  38          2HD1      ILE  38   2.544  -0.612   4.372
  289    H    PHE  39           H        PHE  39  -2.306  -4.712   2.707
  290    HA   PHE  39           HA       PHE  39  -4.320  -2.587   2.599
  291    HB2  PHE  39           2HB      PHE  39  -4.546  -5.590   2.328
  292    HB3  PHE  39           1HB      PHE  39  -5.944  -4.530   2.449
  293    HD1  PHE  39           1HD      PHE  39  -5.175  -2.277   0.715
  294    HD2  PHE  39           2HD      PHE  39  -4.597  -6.467   0.226
  295    HE1  PHE  39           1HE      PHE  39  -5.173  -1.991  -1.743
  296    HE2  PHE  39           2HE      PHE  39  -4.579  -6.193  -2.201
  297    HZ   PHE  39           HZ       PHE  39  -4.864  -3.968  -3.182
  298    H    HIS  40           H        HIS  40  -5.160  -1.876   4.424
  299    HA   HIS  40           HA       HIS  40  -4.554  -3.317   6.891
  300    HB2  HIS  40           2HB      HIS  40  -5.884  -0.610   6.598
  301    HB3  HIS  40           1HB      HIS  40  -5.195  -1.300   8.063
  302    HD1  HIS  40           1HD      HIS  40  -2.827  -0.624   8.563
  303    HD2  HIS  40           2HD      HIS  40  -3.817  -0.119   4.553
  304    HE1  HIS  40           1HE      HIS  40  -0.856   0.524   7.488
  305    HE2  HIS  40           2HE      HIS  40  -1.610   1.068   5.168
  306    H    THR  41           H        THR  41  -5.944  -4.858   7.360
  307    HA   THR  41           HA       THR  41  -8.585  -4.899   6.306
  308    HB   THR  41           HB       THR  41  -8.841  -6.951   7.751
  309    HG1  THR  41           1HG      THR  41  -6.032  -6.737   8.111
  310   HG21  THR  41          3HG2      THR  41  -8.231  -7.086   5.398
  311   HG22  THR  41          1HG2      THR  41  -7.357  -8.300   6.331
  312   HG23  THR  41          2HG2      THR  41  -6.534  -6.831   5.807
  313    H    LYS  42           H        LYS  42 -10.523  -5.242   7.613
  314    HA   LYS  42           HA       LYS  42 -10.852  -3.248   9.581
  315    HB2  LYS  42           2HB      LYS  42 -13.116  -4.015   9.663
  316    HB3  LYS  42           1HB      LYS  42 -12.598  -4.007   7.992
  317    HG2  LYS  42           2HG      LYS  42 -12.183  -6.452   8.190
  318    HG3  LYS  42           1HG      LYS  42 -12.906  -6.383   9.799
  319    HD2  LYS  42           2HD      LYS  42 -14.907  -5.280   8.636
  320    HD3  LYS  42           1HD      LYS  42 -14.196  -5.887   7.139
  321    HE2  LYS  42           2HE      LYS  42 -15.829  -7.469   7.922
  322    HE3  LYS  42           1HE      LYS  42 -14.219  -8.167   8.104
  323    HZ1  LYS  42           3HZ      LYS  42 -14.255  -7.774  10.426
  324    HZ2  LYS  42           1HZ      LYS  42 -15.753  -8.473  10.046
  325    HZ3  LYS  42           2HZ      LYS  42 -15.639  -6.801  10.330
  326    H    LYS  43           H        LYS  43  -9.216  -5.993   9.832
  327    HA   LYS  43           HA       LYS  43 -10.011  -6.521  12.586
  328    HB2  LYS  43           2HB      LYS  43  -9.685  -8.439  10.955
  329    HB3  LYS  43           1HB      LYS  43  -7.973  -8.039  10.954
  330    HG2  LYS  43           2HG      LYS  43  -7.837  -8.503  13.334
  331    HG3  LYS  43           1HG      LYS  43  -9.570  -8.832  13.384
  332    HD2  LYS  43           2HD      LYS  43  -9.237 -10.702  11.811
  333    HD3  LYS  43           1HD      LYS  43  -7.501 -10.388  11.831
  334    HE2  LYS  43           2HE      LYS  43  -9.151 -11.083  14.259
  335    HE3  LYS  43           1HE      LYS  43  -8.191 -12.234  13.334
  336    HZ1  LYS  43           3HZ      LYS  43  -7.006  -9.812  14.547
  337    HZ2  LYS  43           1HZ      LYS  43  -6.206 -11.193  13.973
  338    HZ3  LYS  43           2HZ      LYS  43  -7.133 -11.266  15.395
  339    H    LYS  44           H        LYS  44  -8.326  -4.327  11.111
  340    HA   LYS  44           HA       LYS  44  -6.751  -2.831  11.722
  341    HB2  LYS  44           2HB      LYS  44  -6.782  -4.385  14.305
  342    HB3  LYS  44           1HB      LYS  44  -5.800  -2.949  14.052
  343    HG2  LYS  44           2HG      LYS  44  -7.829  -1.649  13.610
  344    HG3  LYS  44           1HG      LYS  44  -8.805  -3.092  13.904
  345    HD2  LYS  44           2HD      LYS  44  -8.073  -3.199  16.181
  346    HD3  LYS  44           1HD      LYS  44  -6.897  -1.912  15.920
  347    HE2  LYS  44           2HE      LYS  44  -8.769  -0.366  15.426
  348    HE3  LYS  44           1HE      LYS  44  -9.901  -1.658  15.822
  349    HZ1  LYS  44           3HZ      LYS  44  -7.839  -0.705  17.722
  350    HZ2  LYS  44           1HZ      LYS  44  -9.194  -1.665  18.056
  351    HZ3  LYS  44           2HZ      LYS  44  -9.389  -0.027  17.655
  352    H    LEU  45           H        LEU  45  -6.156  -5.673  10.683
  353    HA   LEU  45           HA       LEU  45  -3.312  -5.775  11.384
  354    HB2  LEU  45           2HB      LEU  45  -5.039  -7.839  10.014
  355    HB3  LEU  45           1HB      LEU  45  -3.337  -8.030  10.394
  356    HG   LEU  45           HG       LEU  45  -5.583  -7.738  12.388
  357   HD11  LEU  45          1HD1      LEU  45  -5.066 -10.029  12.972
  358   HD12  LEU  45          2HD1      LEU  45  -3.798 -10.076  11.747
  359   HD13  LEU  45          3HD1      LEU  45  -5.487  -9.914  11.263
  360   HD21  LEU  45          3HD2      LEU  45  -2.616  -8.086  12.811
  361   HD22  LEU  45          1HD2      LEU  45  -3.842  -8.187  14.074
  362   HD23  LEU  45          2HD2      LEU  45  -3.576  -6.665  13.222
  363    H    SER  46           H        SER  46  -1.798  -5.279   9.961
  364    HA   SER  46           HA       SER  46  -2.564  -4.307   7.363
  365    HB2  SER  46           2HB      SER  46  -0.017  -3.959   7.194
  366    HB3  SER  46           1HB      SER  46  -0.894  -3.017   8.393
  367    HG   SER  46           HG       SER  46   0.886  -5.146   8.744
  368    H    VAL  47           H        VAL  47  -3.119  -5.847   5.948
  369    HA   VAL  47           HA       VAL  47  -1.630  -8.323   5.786
  370    HB   VAL  47           HB       VAL  47  -3.971  -7.286   4.174
  371   HG11  VAL  47          1HG1      VAL  47  -2.666 -10.009   4.095
  372   HG12  VAL  47          2HG1      VAL  47  -2.604  -8.797   2.816
  373   HG13  VAL  47          3HG1      VAL  47  -4.142  -9.547   3.245
  374   HG21  VAL  47          3HG2      VAL  47  -5.232  -9.013   5.401
  375   HG22  VAL  47          1HG2      VAL  47  -4.527  -7.810   6.483
  376   HG23  VAL  47          2HG2      VAL  47  -3.777  -9.397   6.321
  377    H    CYS  48           H        CYS  48   0.041  -8.645   4.456
  378    HA   CYS  48           HA       CYS  48   0.844  -6.431   2.765
  379    HB2  CYS  48           2HB      CYS  48   2.361  -8.969   3.395
  380    HB3  CYS  48           1HB      CYS  48   3.017  -7.461   2.753
  381    H    ALA  49           H        ALA  49  -0.465  -6.543   1.048
  382    HA   ALA  49           HA       ALA  49  -1.186  -8.961  -0.251
  383    HB1  ALA  49           1HB      ALA  49  -1.472  -6.073  -1.089
  384    HB2  ALA  49           2HB      ALA  49  -2.667  -7.041  -0.227
  385    HB3  ALA  49           3HB      ALA  49  -2.243  -7.445  -1.894
  386    H    ASN  50           H        ASN  50  -0.324  -9.945  -1.964
  387    HA   ASN  50           HA       ASN  50   2.317  -9.290  -2.819
  388    HB2  ASN  50           2HB      ASN  50   0.305 -11.208  -4.034
  389    HB3  ASN  50           1HB      ASN  50   2.000 -11.104  -4.483
  390   HD21  ASN  50          1HD2      ASN  50   0.751 -10.935  -1.179
  391   HD22  ASN  50          2HD2      ASN  50   1.408 -12.459  -0.684
  392    HA   PRO  51           HA       PRO  51   1.062  -6.298  -5.865
  393    HB2  PRO  51           2HB      PRO  51   3.738  -6.723  -7.022
  394    HB3  PRO  51           1HB      PRO  51   3.014  -5.255  -6.364
  395    HG2  PRO  51           2HG      PRO  51   4.956  -6.573  -5.058
  396    HG3  PRO  51           1HG      PRO  51   3.644  -5.740  -4.203
  397    HD2  PRO  51           2HD      PRO  51   3.991  -8.664  -4.756
  398    HD3  PRO  51           1HD      PRO  51   3.390  -7.850  -3.292
  399    H    LYS  52           H        LYS  52   1.799  -9.513  -6.387
  400    HA   LYS  52           HA       LYS  52   1.781  -9.627  -9.256
  401    HB2  LYS  52           2HB      LYS  52   1.343 -11.748  -7.148
  402    HB3  LYS  52           1HB      LYS  52   1.515 -12.071  -8.865
  403    HG2  LYS  52           2HG      LYS  52   3.795 -11.275  -8.829
  404    HG3  LYS  52           1HG      LYS  52   3.628 -10.808  -7.135
  405    HD2  LYS  52           2HD      LYS  52   4.793 -12.995  -7.475
  406    HD3  LYS  52           1HD      LYS  52   3.354 -13.092  -6.455
  407    HE2  LYS  52           2HE      LYS  52   3.336 -14.951  -7.976
  408    HE3  LYS  52           1HE      LYS  52   2.057 -13.834  -8.445
  409    HZ1  LYS  52           3HZ      LYS  52   3.663 -12.927 -10.119
  410    HZ2  LYS  52           1HZ      LYS  52   3.154 -14.519 -10.404
  411    HZ3  LYS  52           2HZ      LYS  52   4.691 -14.223  -9.756
  412    H    GLN  53           H        GLN  53  -0.561  -9.824  -6.718
  413    HA   GLN  53           HA       GLN  53  -2.409 -11.484  -8.108
  414    HB2  GLN  53           2HB      GLN  53  -3.164  -9.873  -5.707
  415    HB3  GLN  53           1HB      GLN  53  -3.565 -11.538  -6.108
  416    HG2  GLN  53           2HG      GLN  53  -1.251 -12.192  -5.651
  417    HG3  GLN  53           1HG      GLN  53  -0.875 -10.532  -5.231
  418   HE21  GLN  53          1HE2      GLN  53  -1.730  -9.638  -3.355
  419   HE22  GLN  53          2HE2      GLN  53  -2.260 -10.665  -2.067
  420    H    THR  54           H        THR  54  -4.165 -10.972  -9.255
  421    HA   THR  54           HA       THR  54  -4.530  -8.287 -10.128
  422    HB   THR  54           HB       THR  54  -6.687  -9.430 -11.142
  423    HG1  THR  54           1HG      THR  54  -5.489 -11.753 -11.465
  424   HG21  THR  54          3HG2      THR  54  -4.839  -8.568 -12.449
  425   HG22  THR  54          1HG2      THR  54  -5.301 -10.159 -13.054
  426   HG23  THR  54          2HG2      THR  54  -3.860  -9.979 -12.053
  427    H    TRP  55           H        TRP  55  -6.090 -10.303  -7.712
  428    HA   TRP  55           HA       TRP  55  -8.314  -8.619  -7.293
  429    HB2  TRP  55           2HB      TRP  55  -8.642  -9.715  -5.208
  430    HB3  TRP  55           1HB      TRP  55  -8.144 -10.916  -6.384
  431    HD1  TRP  55           HD       TRP  55  -5.771 -12.012  -5.989
  432    HE1  TRP  55           1HE      TRP  55  -4.275 -12.180  -3.969
  433    HE3  TRP  55           3HE      TRP  55  -7.862  -8.394  -3.331
  434    HZ2  TRP  55           2HZ      TRP  55  -4.000 -10.874  -1.485
  435    HZ3  TRP  55           3HZ      TRP  55  -6.968  -7.876  -1.212
  436    HH2  TRP  55           HH       TRP  55  -5.085  -9.042  -0.239
  437    H    VAL  56           H        VAL  56  -5.039  -8.577  -6.243
  438    HA   VAL  56           HA       VAL  56  -5.251  -6.333  -4.527
  439    HB   VAL  56           HB       VAL  56  -2.934  -7.572  -6.011
  440   HG11  VAL  56          1HG1      VAL  56  -2.879  -5.266  -4.082
  441   HG12  VAL  56          2HG1      VAL  56  -2.437  -5.226  -5.790
  442   HG13  VAL  56          3HG1      VAL  56  -1.468  -6.156  -4.646
  443   HG21  VAL  56          3HG2      VAL  56  -3.844  -8.868  -4.181
  444   HG22  VAL  56          1HG2      VAL  56  -3.687  -7.481  -3.101
  445   HG23  VAL  56          2HG2      VAL  56  -2.245  -8.245  -3.772
  446    H    LYS  57           H        LYS  57  -4.236  -6.751  -7.901
  447    HA   LYS  57           HA       LYS  57  -3.731  -4.068  -8.461
  448    HB2  LYS  57           2HB      LYS  57  -4.619  -6.260 -10.344
  449    HB3  LYS  57           1HB      LYS  57  -3.927  -4.718 -10.841
  450    HG2  LYS  57           2HG      LYS  57  -1.870  -5.276  -9.601
  451    HG3  LYS  57           1HG      LYS  57  -2.568  -6.845  -9.202
  452    HD2  LYS  57           2HD      LYS  57  -2.674  -7.415 -11.569
  453    HD3  LYS  57           1HD      LYS  57  -2.013  -5.830 -11.988
  454    HE2  LYS  57           2HE      LYS  57   0.006  -6.361 -10.680
  455    HE3  LYS  57           1HE      LYS  57  -0.647  -7.968 -10.362
  456    HZ1  LYS  57           3HZ      LYS  57   0.990  -7.776 -12.243
  457    HZ2  LYS  57           1HZ      LYS  57  -0.204  -6.941 -13.105
  458    HZ3  LYS  57           2HZ      LYS  57  -0.468  -8.545 -12.622
  459    H    TYR  58           H        TYR  58  -6.746  -5.833  -8.382
  460    HA   TYR  58           HA       TYR  58  -8.323  -3.803  -9.583
  461    HB2  TYR  58           2HB      TYR  58  -9.421  -5.843  -9.564
  462    HB3  TYR  58           1HB      TYR  58  -8.882  -6.237  -7.936
  463    HD1  TYR  58           1HD      TYR  58 -10.833  -3.382  -9.403
  464    HD2  TYR  58           2HD      TYR  58 -10.653  -6.505  -6.522
  465    HE1  TYR  58           1HE      TYR  58 -12.994  -2.654  -8.492
  466    HE2  TYR  58           2HE      TYR  58 -12.812  -5.795  -5.603
  467    HH   TYR  58           HH       TYR  58 -14.894  -3.668  -7.175
  468    H    ILE  59           H        ILE  59  -7.847  -4.751  -6.170
  469    HA   ILE  59           HA       ILE  59  -9.369  -2.688  -5.064
  470    HB   ILE  59           HB       ILE  59  -7.060  -4.166  -3.807
  471   HG12  ILE  59          2HG1      ILE  59 -10.037  -4.680  -3.605
  472   HG13  ILE  59          1HG1      ILE  59  -8.951  -5.570  -4.651
  473   HG21  ILE  59          1HG2      ILE  59  -9.302  -2.589  -2.544
  474   HG22  ILE  59          2HG2      ILE  59  -7.600  -2.128  -2.582
  475   HG23  ILE  59          3HG2      ILE  59  -8.107  -3.551  -1.673
  476   HD11  ILE  59          3HD1      ILE  59  -9.437  -6.787  -2.614
  477   HD12  ILE  59          1HD1      ILE  59  -8.766  -5.459  -1.667
  478   HD13  ILE  59          2HD1      ILE  59  -7.723  -6.391  -2.743
  479    H    VAL  60           H        VAL  60  -5.868  -2.897  -5.674
  480    HA   VAL  60           HA       VAL  60  -5.304  -0.326  -4.581
  481    HB   VAL  60           HB       VAL  60  -3.586  -2.117  -4.792
  482   HG11  VAL  60          1HG1      VAL  60  -2.421  -2.389  -6.939
  483   HG12  VAL  60          2HG1      VAL  60  -3.641  -1.382  -7.718
  484   HG13  VAL  60          3HG1      VAL  60  -4.095  -2.937  -7.020
  485   HG21  VAL  60          3HG2      VAL  60  -2.869   0.472  -6.160
  486   HG22  VAL  60          1HG2      VAL  60  -1.745  -0.640  -5.380
  487   HG23  VAL  60          2HG2      VAL  60  -2.948   0.219  -4.417
  488    H    ARG  61           H        ARG  61  -6.297  -1.411  -7.760
  489    HA   ARG  61           HA       ARG  61  -5.679   0.893  -9.247
  490    HB2  ARG  61           2HB      ARG  61  -6.434  -1.052 -10.424
  491    HB3  ARG  61           1HB      ARG  61  -7.917  -1.128  -9.486
  492    HG2  ARG  61           2HG      ARG  61  -8.725   0.897 -10.557
  493    HG3  ARG  61           1HG      ARG  61  -7.222   1.025 -11.475
  494    HD2  ARG  61           2HD      ARG  61  -7.692  -0.956 -12.686
  495    HD3  ARG  61           1HD      ARG  61  -9.013  -1.387 -11.601
  496    HE   ARG  61           HE       ARG  61  -9.879   0.944 -12.596
  497   HH11  ARG  61          1HH1      ARG  61  -8.505  -1.868 -14.170
  498   HH12  ARG  61          2HH1      ARG  61  -9.447  -1.693 -15.619
  499   HH21  ARG  61          1HH2      ARG  61 -11.134   1.183 -14.497
  500   HH22  ARG  61          2HH2      ARG  61 -10.921   0.073 -15.820
  501    H    LEU  62           H        LEU  62  -8.474   0.065  -7.259
  502    HA   LEU  62           HA       LEU  62  -9.815   2.546  -7.693
  503    HB2  LEU  62           2HB      LEU  62 -10.164   0.402  -5.601
  504    HB3  LEU  62           1HB      LEU  62 -11.201   1.813  -5.727
  505    HG   LEU  62           HG       LEU  62 -10.876  -0.359  -7.799
  506   HD11  LEU  62          1HD1      LEU  62 -13.220   0.366  -6.044
  507   HD12  LEU  62          2HD1      LEU  62 -12.169  -1.035  -5.831
  508   HD13  LEU  62          3HD1      LEU  62 -13.182  -0.905  -7.268
  509   HD21  LEU  62          3HD2      LEU  62 -12.660   0.792  -9.016
  510   HD22  LEU  62          1HD2      LEU  62 -11.232   1.816  -8.852
  511   HD23  LEU  62          2HD2      LEU  62 -12.638   2.092  -7.825
  512    H    LEU  63           H        LEU  63  -7.684   1.269  -5.188
  513    HA   LEU  63           HA       LEU  63  -7.933   3.387  -3.377
  514    HB2  LEU  63           2HB      LEU  63  -6.046   1.179  -3.793
  515    HB3  LEU  63           1HB      LEU  63  -5.457   2.532  -2.846
  516    HG   LEU  63           HG       LEU  63  -6.585   1.854  -1.042
  517   HD11  LEU  63          1HD1      LEU  63  -9.007   1.465  -2.792
  518   HD12  LEU  63          2HD1      LEU  63  -8.620   2.897  -1.836
  519   HD13  LEU  63          3HD1      LEU  63  -8.990   1.372  -1.029
  520   HD21  LEU  63          3HD2      LEU  63  -7.311  -0.492  -2.777
  521   HD22  LEU  63          1HD2      LEU  63  -7.432  -0.440  -1.018
  522   HD23  LEU  63          2HD2      LEU  63  -5.855  -0.311  -1.796
  523    H    SER  64           H        SER  64  -5.637   2.908  -6.029
  524    HA   SER  64           HA       SER  64  -3.950   5.039  -5.313
  525    HB2  SER  64           2HB      SER  64  -3.093   4.815  -7.691
  526    HB3  SER  64           1HB      SER  64  -3.035   3.356  -6.702
  527    HG   SER  64           HG       SER  64  -4.724   2.512  -7.813
  528    H    LYS  65           H        LYS  65  -6.965   5.046  -7.056
  529    HA   LYS  65           HA       LYS  65  -6.380   7.732  -8.062
  530    HB2  LYS  65           2HB      LYS  65  -8.438   5.700  -8.864
  531    HB3  LYS  65           1HB      LYS  65  -8.605   7.388  -9.323
  532    HG2  LYS  65           2HG      LYS  65  -7.609   6.306 -11.156
  533    HG3  LYS  65           1HG      LYS  65  -6.314   7.204 -10.368
  534    HD2  LYS  65           2HD      LYS  65  -5.730   5.066  -9.163
  535    HD3  LYS  65           1HD      LYS  65  -6.867   4.249 -10.238
  536    HE2  LYS  65           2HE      LYS  65  -5.584   5.018 -12.173
  537    HE3  LYS  65           1HE      LYS  65  -4.448   5.831 -11.092
  538    HZ1  LYS  65           3HZ      LYS  65  -4.140   3.523 -10.069
  539    HZ2  LYS  65           1HZ      LYS  65  -3.433   3.814 -11.585
  540    HZ3  LYS  65           2HZ      LYS  65  -4.872   2.933 -11.480
  541    H    LYS  66           H        LYS  66  -7.815   6.360  -5.443
  542    HA   LYS  66           HA       LYS  66  -9.783   8.540  -5.235
  543    HB2  LYS  66           2HB      LYS  66  -9.828   5.838  -3.889
  544    HB3  LYS  66           1HB      LYS  66 -11.009   7.113  -3.620
  545    HG2  LYS  66           2HG      LYS  66 -10.511   5.586  -6.164
  546    HG3  LYS  66           1HG      LYS  66 -11.944   5.528  -5.137
  547    HD2  LYS  66           2HD      LYS  66 -10.977   7.907  -6.719
  548    HD3  LYS  66           1HD      LYS  66 -12.349   6.874  -7.125
  549    HE2  LYS  66           2HE      LYS  66 -13.521   7.576  -5.130
  550    HE3  LYS  66           1HE      LYS  66 -12.117   8.504  -4.598
  551    HZ1  LYS  66           3HZ      LYS  66 -13.817   9.907  -5.617
  552    HZ2  LYS  66           1HZ      LYS  66 -13.684   9.039  -7.064
  553    HZ3  LYS  66           2HZ      LYS  66 -12.372   9.950  -6.500
  554    H    VAL  67           H        VAL  67  -7.143   6.944  -3.640
  555    HA   VAL  67           HA       VAL  67  -7.562   8.352  -1.152
  556    HB   VAL  67           HB       VAL  67  -5.205   6.662  -2.007
  557   HG11  VAL  67          1HG1      VAL  67  -4.650   8.153  -0.172
  558   HG12  VAL  67          2HG1      VAL  67  -4.753   6.487   0.400
  559   HG13  VAL  67          3HG1      VAL  67  -6.072   7.614   0.719
  560   HG21  VAL  67          3HG2      VAL  67  -7.636   5.910  -0.387
  561   HG22  VAL  67          1HG2      VAL  67  -6.250   4.871  -0.717
  562   HG23  VAL  67          2HG2      VAL  67  -7.296   5.392  -2.040
  563    H    LYS  68           H        LYS  68  -6.953  10.373  -0.838
  564    HA   LYS  68           HA       LYS  68  -4.979  11.615  -2.561
  565    HB2  LYS  68           2HB      LYS  68  -6.511  12.772  -0.220
  566    HB3  LYS  68           1HB      LYS  68  -5.531  13.682  -1.362
  567    HG2  LYS  68           2HG      LYS  68  -7.069  12.984  -3.175
  568    HG3  LYS  68           1HG      LYS  68  -8.075  12.187  -1.963
  569    HD2  LYS  68           2HD      LYS  68  -7.427  15.131  -2.097
  570    HD3  LYS  68           1HD      LYS  68  -8.971  14.377  -2.497
  571    HE2  LYS  68           2HE      LYS  68  -7.660  14.304   0.218
  572    HE3  LYS  68           1HE      LYS  68  -8.944  15.419  -0.250
  573    HZ1  LYS  68           3HZ      LYS  68  -9.788  13.499   0.969
  574    HZ2  LYS  68           1HZ      LYS  68  -9.175  12.452  -0.218
  575    HZ3  LYS  68           2HZ      LYS  68 -10.412  13.546  -0.605
  576    H    ASN  69           H        ASN  69  -2.934  11.091  -2.112
  577    HA   ASN  69           HA       ASN  69  -2.101  10.764   0.669
  578    HB2  ASN  69           2HB      ASN  69  -0.068   9.799  -0.222
  579    HB3  ASN  69           1HB      ASN  69  -1.437   9.070  -1.050
  580   HD21  ASN  69          1HD2      ASN  69   1.450  10.852  -1.374
  581   HD22  ASN  69          2HD2      ASN  69   1.378  11.091  -3.092
  582    H    MET  70           H        MET  70  -2.331  13.191  -1.550
  583    HA   MET  70           HA       MET  70  -0.075  14.681  -0.394
  584    HB2  MET  70           2HB      MET  70   0.045  14.338  -2.860
  585    HB3  MET  70           1HB      MET  70  -1.489  15.181  -3.025
  586    HG2  MET  70           2HG      MET  70   0.289  16.686  -3.562
  587    HG3  MET  70           1HG      MET  70  -0.446  17.190  -2.040
  588    HE1  MET  70           3HE      MET  70   2.043  14.213  -2.667
  589    HE2  MET  70           1HE      MET  70   3.595  14.977  -2.320
  590    HE3  MET  70           2HE      MET  70   2.666  15.473  -3.733
  Start of MODEL   11
    1    H1   ALA   1           1HT      ALA   1  21.073  -1.435   1.070
    2    H2   ALA   1           2HT      ALA   1  22.546  -0.607   1.191
    3    H3   ALA   1           3HT      ALA   1  21.302   0.014   0.221
    4    HA   ALA   1           HA       ALA   1  21.130  -0.328   3.160
    5    HB1  ALA   1           1HB      ALA   1  21.624   2.179   1.560
    6    HB2  ALA   1           2HB      ALA   1  22.805   1.350   2.576
    7    HB3  ALA   1           3HB      ALA   1  21.377   2.090   3.303
    8    H    SER   2           H        SER   2  19.215   0.556   4.064
    9    HA   SER   2           HA       SER   2  17.095   1.248   2.148
   10    HB2  SER   2           2HB      SER   2  16.344  -0.480   4.455
   11    HB3  SER   2           1HB      SER   2  15.685  -0.433   2.818
   12    HG   SER   2           HG       SER   2  16.917  -2.082   2.386
   13    H    ASN   3           H        ASN   3  15.536   2.671   2.971
   14    HA   ASN   3           HA       ASN   3  16.134   4.168   5.316
   15    HB2  ASN   3           2HB      ASN   3  13.549   3.961   3.735
   16    HB3  ASN   3           1HB      ASN   3  13.841   5.129   5.017
   17   HD21  ASN   3          1HD2      ASN   3  13.529   6.869   3.670
   18   HD22  ASN   3          2HD2      ASN   3  14.674   7.320   2.455
   19    H    PHE   4           H        PHE   4  13.294   2.218   4.607
   20    HA   PHE   4           HA       PHE   4  13.533   0.879   7.212
   21    HB2  PHE   4           2HB      PHE   4  11.113   0.888   7.455
   22    HB3  PHE   4           1HB      PHE   4  11.663   2.540   7.263
   23    HD1  PHE   4           2HD      PHE   4  11.554   3.537   4.882
   24    HD2  PHE   4           1HD      PHE   4   9.425   0.068   6.117
   25    HE1  PHE   4           2HE      PHE   4  10.003   3.821   2.997
   26    HE2  PHE   4           1HE      PHE   4   7.878   0.343   4.234
   27    HZ   PHE   4           HZ       PHE   4   8.158   2.227   2.670
   28    H    ASP   5           H        ASP   5  12.488  -1.287   7.155
   29    HA   ASP   5           HA       ASP   5  12.202  -2.211   4.390
   30    HB2  ASP   5           2HB      ASP   5  12.886  -4.494   5.249
   31    HB3  ASP   5           1HB      ASP   5  14.141  -3.269   5.126
   32    H    CYS   6           H        CYS   6  10.275  -2.483   3.894
   33    HA   CYS   6           HA       CYS   6   8.084  -2.623   5.581
   34    HB2  CYS   6           2HB      CYS   6   6.854  -3.102   3.538
   35    HB3  CYS   6           1HB      CYS   6   8.042  -1.842   3.277
   36    H    CYS   7           H        CYS   7   6.373  -4.412   5.112
   37    HA   CYS   7           HA       CYS   7   6.934  -6.676   6.527
   38    HB2  CYS   7           2HB      CYS   7   4.677  -5.846   5.955
   39    HB3  CYS   7           1HB      CYS   7   4.910  -6.416   4.307
   40    H    LEU   8           H        LEU   8   8.327  -8.252   6.160
   41    HA   LEU   8           HA       LEU   8   9.244  -8.792   3.457
   42    HB2  LEU   8           2HB      LEU   8  10.194  -9.863   6.115
   43    HB3  LEU   8           1HB      LEU   8  10.979 -10.128   4.569
   44    HG   LEU   8           HG       LEU   8  10.647  -7.438   5.910
   45   HD11  LEU   8          1HD1      LEU   8  13.087  -7.577   6.246
   46   HD12  LEU   8          2HD1      LEU   8  13.047  -9.244   5.671
   47   HD13  LEU   8          3HD1      LEU   8  12.197  -8.803   7.152
   48   HD21  LEU   8          3HD2      LEU   8  12.171  -6.633   4.185
   49   HD22  LEU   8          1HD2      LEU   8  10.706  -7.304   3.466
   50   HD23  LEU   8          2HD2      LEU   8  12.204  -8.238   3.454
   51    H    GLY   9           H        GLY   9   6.583  -9.739   4.700
   52    HA2  GLY   9           2HA      GLY   9   6.777 -12.444   3.587
   53    HA3  GLY   9           1HA      GLY   9   6.155 -12.277   5.223
   54    H    TYR  10           H        TYR  10   5.264 -12.518   2.058
   55    HA   TYR  10           HA       TYR  10   3.118 -10.571   2.114
   56    HB2  TYR  10           2HB      TYR  10   3.810 -12.603  -0.008
   57    HB3  TYR  10           1HB      TYR  10   2.669 -11.283  -0.176
   58    HD1  TYR  10           1HD      TYR  10   6.260 -11.978   0.449
   59    HD2  TYR  10           2HD      TYR  10   3.371  -9.203  -1.012
   60    HE1  TYR  10           1HE      TYR  10   8.070 -10.566  -0.426
   61    HE2  TYR  10           2HE      TYR  10   5.182  -7.784  -1.880
   62    HH   TYR  10           HH       TYR  10   8.410  -8.860  -2.118
   63    H    THR  11           H        THR  11   0.937 -11.290   1.332
   64    HA   THR  11           HA       THR  11  -0.001 -13.437   3.020
   65    HB   THR  11           HB       THR  11  -1.169 -11.206   2.849
   66    HG1  THR  11           1HG      THR  11  -2.478 -12.726   3.692
   67   HG21  THR  11          3HG2      THR  11  -2.656 -10.820   0.944
   68   HG22  THR  11          1HG2      THR  11  -2.037 -12.274   0.158
   69   HG23  THR  11          2HG2      THR  11  -0.972 -10.896   0.425
   70    H    ASP  12           H        ASP  12  -2.068 -14.568   1.853
   71    HA   ASP  12           HA       ASP  12  -1.235 -15.653  -0.744
   72    HB2  ASP  12           2HB      ASP  12  -1.491 -17.945   0.057
   73    HB3  ASP  12           1HB      ASP  12  -0.283 -17.109   1.027
   74    H    ARG  13           H        ARG  13  -3.492 -13.986   0.472
   75    HA   ARG  13           HA       ARG  13  -5.789 -15.773   0.143
   76    HB2  ARG  13           2HB      ARG  13  -5.113 -13.612   1.918
   77    HB3  ARG  13           1HB      ARG  13  -6.640 -13.286   1.093
   78    HG2  ARG  13           2HG      ARG  13  -7.714 -14.834   2.298
   79    HG3  ARG  13           1HG      ARG  13  -6.428 -16.023   2.066
   80    HD2  ARG  13           2HD      ARG  13  -6.302 -13.744   4.037
   81    HD3  ARG  13           1HD      ARG  13  -6.821 -15.379   4.449
   82    HE   ARG  13           HE       ARG  13  -4.448 -15.899   3.417
   83   HH11  ARG  13          1HH1      ARG  13  -5.352 -13.351   5.653
   84   HH12  ARG  13          2HH1      ARG  13  -3.771 -13.242   6.365
   85   HH21  ARG  13          1HH2      ARG  13  -2.391 -15.768   4.361
   86   HH22  ARG  13          2HH2      ARG  13  -2.118 -14.661   5.682
   87    H    ILE  14           H        ILE  14  -7.772 -14.774  -0.653
   88    HA   ILE  14           HA       ILE  14  -7.425 -12.520  -2.512
   89    HB   ILE  14           HB       ILE  14  -9.638 -14.572  -2.270
   90   HG12  ILE  14          2HG1      ILE  14  -7.371 -14.938  -3.600
   91   HG13  ILE  14          1HG1      ILE  14  -8.914 -15.516  -4.230
   92   HG21  ILE  14          1HG2      ILE  14  -9.553 -12.167  -4.087
   93   HG22  ILE  14          2HG2      ILE  14 -10.612 -12.373  -2.693
   94   HG23  ILE  14          3HG2      ILE  14 -10.787 -13.429  -4.094
   95   HD11  ILE  14          3HD1      ILE  14  -7.500 -12.973  -5.001
   96   HD12  ILE  14          1HD1      ILE  14  -9.087 -13.477  -5.586
   97   HD13  ILE  14          2HD1      ILE  14  -7.655 -14.437  -5.976
   98    H    LEU  15           H        LEU  15  -7.408 -10.912  -0.850
   99    HA   LEU  15           HA       LEU  15  -9.744 -10.731   0.885
  100    HB2  LEU  15           2HB      LEU  15  -7.308  -8.950   0.636
  101    HB3  LEU  15           1HB      LEU  15  -8.653  -8.608   1.711
  102    HG   LEU  15           HG       LEU  15  -7.090  -9.552   3.126
  103   HD11  LEU  15          1HD1      LEU  15  -9.209 -10.690   3.388
  104   HD12  LEU  15          2HD1      LEU  15  -7.868 -11.789   3.724
  105   HD13  LEU  15          3HD1      LEU  15  -8.736 -11.897   2.189
  106   HD21  LEU  15          3HD2      LEU  15  -5.453 -10.166   1.476
  107   HD22  LEU  15          1HD2      LEU  15  -6.442 -11.528   0.947
  108   HD23  LEU  15          2HD2      LEU  15  -5.728 -11.528   2.563
  109    H    HIS  16           H        HIS  16 -10.785  -8.469   0.999
  110    HA   HIS  16           HA       HIS  16 -11.123  -7.486  -1.753
  111    HB2  HIS  16           2HB      HIS  16 -13.341  -8.216   0.156
  112    HB3  HIS  16           1HB      HIS  16 -13.569  -7.385  -1.371
  113    HD1  HIS  16           1HD      HIS  16 -14.988  -9.957  -0.881
  114    HD2  HIS  16           2HD      HIS  16 -11.210  -9.787  -2.600
  115    HE1  HIS  16           1HE      HIS  16 -14.798 -11.995  -2.257
  116    HE2  HIS  16           2HE      HIS  16 -12.631 -11.779  -3.502
  117    HA   PRO  17           HA       PRO  17 -11.707  -3.396   0.105
  118    HB2  PRO  17           2HB      PRO  17 -13.907  -2.538  -1.316
  119    HB3  PRO  17           1HB      PRO  17 -12.246  -2.432  -1.908
  120    HG2  PRO  17           2HG      PRO  17 -14.358  -4.447  -2.535
  121    HG3  PRO  17           1HG      PRO  17 -13.154  -3.705  -3.606
  122    HD2  PRO  17           2HD      PRO  17 -12.863  -6.214  -2.633
  123    HD3  PRO  17           1HD      PRO  17 -11.477  -5.138  -2.929
  124    H    LYS  18           H        LYS  18 -14.093  -5.832  -0.259
  125    HA   LYS  18           HA       LYS  18 -16.131  -5.123   1.475
  126    HB2  LYS  18           2HB      LYS  18 -14.839  -7.850   1.140
  127    HB3  LYS  18           1HB      LYS  18 -16.433  -7.571   1.796
  128    HG2  LYS  18           2HG      LYS  18 -16.999  -6.552  -0.477
  129    HG3  LYS  18           1HG      LYS  18 -15.498  -7.281  -1.033
  130    HD2  LYS  18           2HD      LYS  18 -16.314  -9.468  -0.233
  131    HD3  LYS  18           1HD      LYS  18 -17.834  -8.707   0.230
  132    HE2  LYS  18           2HE      LYS  18 -18.145  -8.026  -2.138
  133    HE3  LYS  18           1HE      LYS  18 -16.696  -8.945  -2.547
  134    HZ1  LYS  18           3HZ      LYS  18 -17.772 -10.949  -1.733
  135    HZ2  LYS  18           1HZ      LYS  18 -18.707 -10.231  -2.950
  136    HZ3  LYS  18           2HZ      LYS  18 -19.166 -10.070  -1.328
  137    H    PHE  19           H        PHE  19 -12.820  -5.883   2.121
  138    HA   PHE  19           HA       PHE  19 -13.359  -5.908   5.014
  139    HB2  PHE  19           2HB      PHE  19 -11.262  -7.579   3.603
  140    HB3  PHE  19           1HB      PHE  19 -11.626  -7.588   5.322
  141    HD1  PHE  19           2HD      PHE  19 -12.810  -8.594   1.994
  142    HD2  PHE  19           1HD      PHE  19 -13.477  -8.822   6.190
  143    HE1  PHE  19           2HE      PHE  19 -14.429 -10.410   1.629
  144    HE2  PHE  19           1HE      PHE  19 -15.092 -10.647   5.836
  145    HZ   PHE  19           HZ       PHE  19 -15.570 -11.442   3.556
  146    H    ILE  20           H        ILE  20 -12.062  -4.134   2.636
  147    HA   ILE  20           HA       ILE  20  -9.550  -3.513   4.027
  148    HB   ILE  20           HB       ILE  20 -10.408  -3.361   1.197
  149   HG12  ILE  20          2HG1      ILE  20  -8.222  -4.122   0.725
  150   HG13  ILE  20          1HG1      ILE  20  -7.590  -3.548   2.261
  151   HG21  ILE  20          1HG2      ILE  20 -10.105  -0.994   1.631
  152   HG22  ILE  20          2HG2      ILE  20  -8.805  -1.608   0.612
  153   HG23  ILE  20          3HG2      ILE  20  -8.514  -1.307   2.324
  154   HD11  ILE  20          3HD1      ILE  20  -8.818  -5.306   3.418
  155   HD12  ILE  20          1HD1      ILE  20  -7.741  -5.972   2.193
  156   HD13  ILE  20          2HD1      ILE  20  -9.477  -5.866   1.879
  157    H    VAL  21           H        VAL  21  -9.483  -1.806   5.305
  158    HA   VAL  21           HA       VAL  21 -11.204   0.502   4.649
  159    HB   VAL  21           HB       VAL  21 -11.210   1.089   7.057
  160   HG11  VAL  21          1HG1      VAL  21 -13.092  -0.118   6.066
  161   HG12  VAL  21          2HG1      VAL  21 -12.847  -0.581   7.746
  162   HG13  VAL  21          3HG1      VAL  21 -12.317  -1.654   6.453
  163   HG21  VAL  21          3HG2      VAL  21  -9.958  -1.635   7.436
  164   HG22  VAL  21          1HG2      VAL  21 -10.553  -0.585   8.723
  165   HG23  VAL  21          2HG2      VAL  21  -9.178  -0.083   7.740
  166    H    GLY  22           H        GLY  22  -8.093  -0.651   4.914
  167    HA2  GLY  22           2HA      GLY  22  -7.005   2.049   4.685
  168    HA3  GLY  22           1HA      GLY  22  -6.376   1.040   5.983
  169    H    PHE  23           H        PHE  23  -4.748   2.033   3.933
  170    HA   PHE  23           HA       PHE  23  -3.708  -0.419   2.760
  171    HB2  PHE  23           2HB      PHE  23  -5.118  -0.040   1.020
  172    HB3  PHE  23           1HB      PHE  23  -5.156   1.700   1.260
  173    HD1  PHE  23           2HD      PHE  23  -3.421   3.094   0.402
  174    HD2  PHE  23           1HD      PHE  23  -3.475  -1.086  -0.295
  175    HE1  PHE  23           2HE      PHE  23  -1.782   3.380  -1.422
  176    HE2  PHE  23           1HE      PHE  23  -1.842  -0.818  -2.104
  177    HZ   PHE  23           HZ       PHE  23  -1.004   1.395  -2.652
  178    H    THR  24           H        THR  24  -1.585  -0.319   2.672
  179    HA   THR  24           HA       THR  24  -0.231   2.262   2.443
  180    HB   THR  24           HB       THR  24   0.625   0.215   4.491
  181    HG1  THR  24           1HG      THR  24  -0.480   2.767   5.081
  182   HG21  THR  24          3HG2      THR  24   1.491   3.078   4.057
  183   HG22  THR  24          1HG2      THR  24   2.408   1.657   3.552
  184   HG23  THR  24          2HG2      THR  24   2.125   1.961   5.261
  185    H    ARG  25           H        ARG  25   0.982   2.060   0.661
  186    HA   ARG  25           HA       ARG  25   1.935  -0.608  -0.082
  187    HB2  ARG  25           2HB      ARG  25   0.587   0.365  -1.782
  188    HB3  ARG  25           1HB      ARG  25   1.459   1.891  -1.706
  189    HG2  ARG  25           2HG      ARG  25   3.449   0.780  -2.604
  190    HG3  ARG  25           1HG      ARG  25   2.555  -0.734  -2.689
  191    HD2  ARG  25           2HD      ARG  25   2.587   0.272  -4.871
  192    HD3  ARG  25           1HD      ARG  25   0.946   0.358  -4.232
  193    HE   ARG  25           HE       ARG  25   1.615   2.736  -3.578
  194   HH11  ARG  25          1HH1      ARG  25   2.880   1.052  -6.381
  195   HH12  ARG  25          2HH1      ARG  25   3.154   2.496  -7.299
  196   HH21  ARG  25          1HH2      ARG  25   1.969   4.653  -4.784
  197   HH22  ARG  25          2HH2      ARG  25   2.639   4.555  -6.383
  198    H    GLN  26           H        GLN  26   3.959  -1.066   0.388
  199    HA   GLN  26           HA       GLN  26   5.939   1.089   0.487
  200    HB2  GLN  26           2HB      GLN  26   6.031  -1.788   1.380
  201    HB3  GLN  26           1HB      GLN  26   7.452  -0.759   1.332
  202    HG2  GLN  26           2HG      GLN  26   6.769  -0.656   3.530
  203    HG3  GLN  26           1HG      GLN  26   6.132   0.825   2.819
  204   HE21  GLN  26          1HE2      GLN  26   5.337  -2.327   4.052
  205   HE22  GLN  26          2HE2      GLN  26   3.650  -2.038   4.245
  206    H    LEU  27           H        LEU  27   7.657   1.170  -0.872
  207    HA   LEU  27           HA       LEU  27   7.678  -0.773  -3.078
  208    HB2  LEU  27           2HB      LEU  27   8.101   2.211  -3.283
  209    HB3  LEU  27           1HB      LEU  27   8.315   1.075  -4.598
  210    HG   LEU  27           HG       LEU  27   5.810   0.502  -4.187
  211   HD11  LEU  27          1HD1      LEU  27   5.991   3.226  -2.919
  212   HD12  LEU  27          2HD1      LEU  27   5.535   1.725  -2.112
  213   HD13  LEU  27          3HD1      LEU  27   4.499   2.402  -3.370
  214   HD21  LEU  27          3HD2      LEU  27   5.133   2.339  -5.674
  215   HD22  LEU  27          1HD2      LEU  27   6.616   1.546  -6.206
  216   HD23  LEU  27          2HD2      LEU  27   6.695   3.112  -5.395
  217    H    ALA  28           H        ALA  28   9.751  -0.902  -4.198
  218    HA   ALA  28           HA       ALA  28  11.903  -1.025  -2.300
  219    HB1  ALA  28           1HB      ALA  28  11.885  -1.626  -5.255
  220    HB2  ALA  28           2HB      ALA  28  11.551  -2.783  -3.962
  221    HB3  ALA  28           3HB      ALA  28  13.158  -2.065  -4.112
  222    H    ASN  29           H        ASN  29  10.665   1.426  -3.960
  223    HA   ASN  29           HA       ASN  29  13.236   2.825  -4.174
  224    HB2  ASN  29           2HB      ASN  29  12.029   4.401  -5.722
  225    HB3  ASN  29           1HB      ASN  29  12.261   2.776  -6.345
  226   HD21  ASN  29          1HD2      ASN  29  10.509   1.504  -6.765
  227   HD22  ASN  29          2HD2      ASN  29   8.880   2.077  -6.679
  228    H    GLU  30           H        GLU  30  10.767   2.432  -2.146
  229    HA   GLU  30           HA       GLU  30  10.616   5.269  -1.390
  230    HB2  GLU  30           2HB      GLU  30   8.788   2.954  -0.758
  231    HB3  GLU  30           1HB      GLU  30   8.649   4.531   0.005
  232    HG2  GLU  30           2HG      GLU  30   8.457   4.039  -2.957
  233    HG3  GLU  30           1HG      GLU  30   7.081   4.184  -1.865
  234    H    GLY  31           H        GLY  31  12.125   2.405  -0.594
  235    HA2  GLY  31           2HA      GLY  31  13.760   3.166   1.336
  236    HA3  GLY  31           1HA      GLY  31  12.279   2.977   2.262
  237    H    CYS  32           H        CYS  32  11.132   0.795   1.569
  238    HA   CYS  32           HA       CYS  32  12.593  -1.398   2.423
  239    HB2  CYS  32           2HB      CYS  32  10.052  -1.099   2.224
  240    HB3  CYS  32           1HB      CYS  32  10.247  -1.547   0.533
  241    H    ASP  33           H        ASP  33  13.532  -3.160   1.265
  242    HA   ASP  33           HA       ASP  33  14.579  -2.447  -1.339
  243    HB2  ASP  33           2HB      ASP  33  14.978  -4.966   0.299
  244    HB3  ASP  33           1HB      ASP  33  15.835  -4.576  -1.188
  245    H    ILE  34           H        ILE  34  12.042  -4.336  -0.016
  246    HA   ILE  34           HA       ILE  34  11.401  -5.335  -2.705
  247    HB   ILE  34           HB       ILE  34   9.907  -6.958  -1.660
  248   HG12  ILE  34          2HG1      ILE  34  10.907  -5.923   1.002
  249   HG13  ILE  34          1HG1      ILE  34   9.325  -5.552   0.329
  250   HG21  ILE  34          1HG2      ILE  34  12.658  -6.988  -0.423
  251   HG22  ILE  34          2HG2      ILE  34  12.221  -7.622  -2.011
  252   HG23  ILE  34          3HG2      ILE  34  11.577  -8.376  -0.553
  253   HD11  ILE  34          3HD1      ILE  34   9.169  -7.304   1.984
  254   HD12  ILE  34          1HD1      ILE  34  10.335  -8.280   1.090
  255   HD13  ILE  34          2HD1      ILE  34   8.755  -7.932   0.388
  256    H    ASN  35           H        ASN  35   8.702  -5.660  -2.493
  257    HA   ASN  35           HA       ASN  35   7.643  -3.120  -1.532
  258    HB2  ASN  35           2HB      ASN  35   6.335  -2.871  -3.689
  259    HB3  ASN  35           1HB      ASN  35   8.060  -2.564  -3.808
  260   HD21  ASN  35          1HD2      ASN  35   9.356  -3.976  -4.946
  261   HD22  ASN  35          2HD2      ASN  35   8.711  -5.150  -6.037
  262    H    ALA  36           H        ALA  36   5.983  -3.479  -0.338
  263    HA   ALA  36           HA       ALA  36   4.279  -5.822  -0.863
  264    HB1  ALA  36           1HB      ALA  36   5.719  -6.266   1.062
  265    HB2  ALA  36           2HB      ALA  36   4.021  -6.159   1.533
  266    HB3  ALA  36           3HB      ALA  36   5.110  -4.810   1.853
  267    H    ILE  37           H        ILE  37   2.134  -5.516  -0.781
  268    HA   ILE  37           HA       ILE  37   1.168  -2.788  -0.392
  269    HB   ILE  37           HB       ILE  37  -0.470  -5.127  -1.345
  270   HG12  ILE  37          2HG1      ILE  37   1.458  -5.035  -2.828
  271   HG13  ILE  37          1HG1      ILE  37   0.037  -4.435  -3.671
  272   HG21  ILE  37          1HG2      ILE  37  -1.778  -3.362  -2.448
  273   HG22  ILE  37          2HG2      ILE  37  -0.704  -2.152  -1.738
  274   HG23  ILE  37          3HG2      ILE  37  -1.705  -3.166  -0.696
  275   HD11  ILE  37          3HD1      ILE  37   1.912  -3.062  -4.214
  276   HD12  ILE  37          1HD1      ILE  37   2.276  -2.814  -2.505
  277   HD13  ILE  37          2HD1      ILE  37   0.804  -2.132  -3.201
  278    H    ILE  38           H        ILE  38   1.041  -2.628   1.895
  279    HA   ILE  38           HA       ILE  38  -0.274  -4.736   3.363
  280    HB   ILE  38           HB       ILE  38   0.734  -2.039   4.260
  281   HG12  ILE  38          2HG1      ILE  38   1.692  -4.867   4.721
  282   HG13  ILE  38          1HG1      ILE  38   2.503  -3.634   3.762
  283   HG21  ILE  38          1HG2      ILE  38  -0.546  -4.238   5.881
  284   HG22  ILE  38          2HG2      ILE  38  -1.182  -2.612   5.618
  285   HG23  ILE  38          3HG2      ILE  38   0.294  -2.841   6.557
  286   HD11  ILE  38          3HD1      ILE  38   2.058  -3.549   6.740
  287   HD12  ILE  38          1HD1      ILE  38   2.872  -2.313   5.780
  288   HD13  ILE  38          2HD1      ILE  38   3.577  -3.924   5.923
  289    H    PHE  39           H        PHE  39  -2.354  -4.936   2.788
  290    HA   PHE  39           HA       PHE  39  -4.131  -2.641   2.891
  291    HB2  PHE  39           2HB      PHE  39  -4.684  -5.591   2.548
  292    HB3  PHE  39           1HB      PHE  39  -5.941  -4.366   2.615
  293    HD1  PHE  39           2HD      PHE  39  -4.757  -2.214   0.961
  294    HD2  PHE  39           1HD      PHE  39  -4.789  -6.436   0.423
  295    HE1  PHE  39           2HE      PHE  39  -4.571  -1.899  -1.485
  296    HE2  PHE  39           1HE      PHE  39  -4.602  -6.134  -2.006
  297    HZ   PHE  39           HZ       PHE  39  -4.484  -3.877  -2.954
  298    H    HIS  40           H        HIS  40  -5.285  -2.040   4.630
  299    HA   HIS  40           HA       HIS  40  -4.840  -3.586   7.087
  300    HB2  HIS  40           2HB      HIS  40  -5.850  -0.741   6.829
  301    HB3  HIS  40           1HB      HIS  40  -5.328  -1.544   8.307
  302    HD1  HIS  40           1HD      HIS  40  -2.881  -1.311   8.913
  303    HD2  HIS  40           2HD      HIS  40  -3.670  -0.276   4.959
  304    HE1  HIS  40           1HE      HIS  40  -0.727  -0.370   7.985
  305    HE2  HIS  40           2HE      HIS  40  -1.343   0.526   5.729
  306    H    THR  41           H        THR  41  -6.398  -4.966   7.473
  307    HA   THR  41           HA       THR  41  -8.913  -4.806   6.162
  308    HB   THR  41           HB       THR  41  -9.490  -6.826   7.503
  309    HG1  THR  41           1HG      THR  41  -6.796  -6.704   8.416
  310   HG21  THR  41          3HG2      THR  41  -7.850  -8.286   6.419
  311   HG22  THR  41          1HG2      THR  41  -6.823  -6.891   6.084
  312   HG23  THR  41          2HG2      THR  41  -8.410  -7.026   5.320
  313    H    LYS  42           H        LYS  42 -11.000  -4.761   7.131
  314    HA   LYS  42           HA       LYS  42 -11.356  -2.964   9.267
  315    HB2  LYS  42           2HB      LYS  42 -13.706  -3.545   9.035
  316    HB3  LYS  42           1HB      LYS  42 -12.991  -3.284   7.465
  317    HG2  LYS  42           2HG      LYS  42 -14.233  -5.139   7.033
  318    HG3  LYS  42           1HG      LYS  42 -12.721  -5.902   7.524
  319    HD2  LYS  42           2HD      LYS  42 -13.581  -6.313   9.732
  320    HD3  LYS  42           1HD      LYS  42 -15.033  -5.375   9.386
  321    HE2  LYS  42           2HE      LYS  42 -14.246  -7.906   7.947
  322    HE3  LYS  42           1HE      LYS  42 -15.379  -7.835   9.296
  323    HZ1  LYS  42           3HZ      LYS  42 -15.711  -6.566   6.630
  324    HZ2  LYS  42           1HZ      LYS  42 -16.761  -6.312   7.937
  325    HZ3  LYS  42           2HZ      LYS  42 -16.605  -7.861   7.262
  326    H    LYS  43           H        LYS  43 -10.268  -6.049   9.214
  327    HA   LYS  43           HA       LYS  43 -11.321  -6.847  11.787
  328    HB2  LYS  43           2HB      LYS  43 -10.901  -8.428   9.815
  329    HB3  LYS  43           1HB      LYS  43  -9.192  -8.245  10.175
  330    HG2  LYS  43           2HG      LYS  43  -9.471  -9.232  12.332
  331    HG3  LYS  43           1HG      LYS  43 -11.226  -9.245  12.150
  332    HD2  LYS  43           2HD      LYS  43 -10.909 -10.747  10.160
  333    HD3  LYS  43           1HD      LYS  43  -9.206 -10.864  10.604
  334    HE2  LYS  43           2HE      LYS  43  -9.737 -11.907  12.677
  335    HE3  LYS  43           1HE      LYS  43 -11.454 -11.554  12.487
  336    HZ1  LYS  43           3HZ      LYS  43 -11.158 -13.815  11.942
  337    HZ2  LYS  43           1HZ      LYS  43  -9.830 -13.499  10.931
  338    HZ3  LYS  43           2HZ      LYS  43 -11.387 -13.006  10.472
  339    H    LYS  44           H        LYS  44  -9.104  -4.775  10.678
  340    HA   LYS  44           HA       LYS  44  -7.603  -3.446  11.691
  341    HB2  LYS  44           2HB      LYS  44  -8.196  -5.049  14.184
  342    HB3  LYS  44           1HB      LYS  44  -7.325  -3.517  14.126
  343    HG2  LYS  44           2HG      LYS  44  -9.322  -2.428  13.213
  344    HG3  LYS  44           1HG      LYS  44 -10.188  -3.961  13.305
  345    HD2  LYS  44           2HD      LYS  44  -9.782  -3.973  15.756
  346    HD3  LYS  44           1HD      LYS  44  -9.082  -2.360  15.606
  347    HE2  LYS  44           2HE      LYS  44 -11.200  -1.551  14.658
  348    HE3  LYS  44           1HE      LYS  44 -11.892  -3.160  14.860
  349    HZ1  LYS  44           3HZ      LYS  44 -11.115  -1.212  16.946
  350    HZ2  LYS  44           1HZ      LYS  44 -11.286  -2.866  17.303
  351    HZ3  LYS  44           2HZ      LYS  44 -12.606  -1.982  16.708
  352    H    LEU  45           H        LEU  45  -7.029  -6.297  10.682
  353    HA   LEU  45           HA       LEU  45  -4.293  -6.460  11.749
  354    HB2  LEU  45           2HB      LEU  45  -5.940  -8.491  10.229
  355    HB3  LEU  45           1HB      LEU  45  -4.248  -8.709  10.633
  356    HG   LEU  45           HG       LEU  45  -6.493  -8.408  12.630
  357   HD11  LEU  45          1HD1      LEU  45  -6.048 -10.774  13.109
  358   HD12  LEU  45          2HD1      LEU  45  -4.893 -10.822  11.780
  359   HD13  LEU  45          3HD1      LEU  45  -6.601 -10.530  11.454
  360   HD21  LEU  45          3HD2      LEU  45  -4.812  -8.966  14.298
  361   HD22  LEU  45          1HD2      LEU  45  -4.345  -7.507  13.425
  362   HD23  LEU  45          2HD2      LEU  45  -3.573  -9.045  13.046
  363    H    SER  46           H        SER  46  -2.571  -6.114  10.432
  364    HA   SER  46           HA       SER  46  -3.121  -4.977   7.838
  365    HB2  SER  46           2HB      SER  46  -0.615  -4.551   7.848
  366    HB3  SER  46           1HB      SER  46  -1.532  -3.763   9.129
  367    HG   SER  46           HG       SER  46   0.527  -4.975   9.647
  368    H    VAL  47           H        VAL  47  -3.117  -6.084   6.026
  369    HA   VAL  47           HA       VAL  47  -1.853  -8.736   5.987
  370    HB   VAL  47           HB       VAL  47  -3.985  -7.574   4.175
  371   HG11  VAL  47          1HG1      VAL  47  -2.589  -9.183   2.992
  372   HG12  VAL  47          2HG1      VAL  47  -4.197  -9.845   3.283
  373   HG13  VAL  47          3HG1      VAL  47  -2.836 -10.360   4.279
  374   HG21  VAL  47          3HG2      VAL  47  -4.186  -9.674   6.329
  375   HG22  VAL  47          1HG2      VAL  47  -5.491  -9.149   5.270
  376   HG23  VAL  47          2HG2      VAL  47  -4.797  -8.021   6.437
  377    H    CYS  48           H        CYS  48  -0.048  -9.008   4.784
  378    HA   CYS  48           HA       CYS  48   0.901  -6.764   3.217
  379    HB2  CYS  48           2HB      CYS  48   2.326  -9.390   3.647
  380    HB3  CYS  48           1HB      CYS  48   3.026  -7.827   3.243
  381    H    ALA  49           H        ALA  49  -0.560  -6.816   1.535
  382    HA   ALA  49           HA       ALA  49  -1.195  -9.187   0.099
  383    HB1  ALA  49           1HB      ALA  49  -2.401  -7.665  -1.402
  384    HB2  ALA  49           2HB      ALA  49  -1.647  -6.280  -0.602
  385    HB3  ALA  49           3HB      ALA  49  -2.754  -7.321   0.293
  386    H    ASN  50           H        ASN  50  -0.567  -9.848  -1.927
  387    HA   ASN  50           HA       ASN  50   2.160  -9.185  -2.574
  388    HB2  ASN  50           2HB      ASN  50   0.472 -10.978  -4.283
  389    HB3  ASN  50           1HB      ASN  50   2.191 -11.076  -3.945
  390   HD21  ASN  50          1HD2      ASN  50   1.265 -10.699  -0.953
  391   HD22  ASN  50          2HD2      ASN  50   0.854 -12.333  -0.527
  392    HA   PRO  51           HA       PRO  51   0.973  -6.294  -5.808
  393    HB2  PRO  51           2HB      PRO  51   3.822  -6.397  -6.511
  394    HB3  PRO  51           1HB      PRO  51   2.848  -5.024  -5.979
  395    HG2  PRO  51           2HG      PRO  51   4.721  -6.117  -4.403
  396    HG3  PRO  51           1HG      PRO  51   3.212  -5.459  -3.745
  397    HD2  PRO  51           2HD      PRO  51   3.949  -8.313  -4.301
  398    HD3  PRO  51           1HD      PRO  51   3.135  -7.621  -2.874
  399    H    LYS  52           H        LYS  52   1.472  -9.406  -6.041
  400    HA   LYS  52           HA       LYS  52   2.202  -9.583  -8.877
  401    HB2  LYS  52           2HB      LYS  52   1.803 -11.734  -6.779
  402    HB3  LYS  52           1HB      LYS  52   2.336 -12.015  -8.434
  403    HG2  LYS  52           2HG      LYS  52   4.369 -10.738  -8.005
  404    HG3  LYS  52           1HG      LYS  52   3.817 -10.415  -6.359
  405    HD2  LYS  52           2HD      LYS  52   5.396 -12.230  -6.318
  406    HD3  LYS  52           1HD      LYS  52   3.789 -12.853  -5.937
  407    HE2  LYS  52           2HE      LYS  52   3.554 -13.553  -8.303
  408    HE3  LYS  52           1HE      LYS  52   5.213 -13.031  -8.589
  409    HZ1  LYS  52           3HZ      LYS  52   4.280 -15.237  -6.837
  410    HZ2  LYS  52           1HZ      LYS  52   5.863 -14.626  -6.789
  411    HZ3  LYS  52           2HZ      LYS  52   5.273 -15.341  -8.210
  412    H    GLN  53           H        GLN  53  -0.506  -9.673  -6.798
  413    HA   GLN  53           HA       GLN  53  -1.980 -11.473  -8.576
  414    HB2  GLN  53           2HB      GLN  53  -3.555 -11.468  -6.468
  415    HB3  GLN  53           1HB      GLN  53  -2.093 -12.448  -6.503
  416    HG2  GLN  53           2HG      GLN  53  -0.924 -10.526  -5.358
  417    HG3  GLN  53           1HG      GLN  53  -2.514  -9.812  -5.127
  418   HE21  GLN  53          1HE2      GLN  53  -2.270  -9.893  -2.900
  419   HE22  GLN  53          2HE2      GLN  53  -2.402 -11.386  -2.030
  420    H    THR  54           H        THR  54  -4.098 -11.003  -9.232
  421    HA   THR  54           HA       THR  54  -4.314  -8.274 -10.037
  422    HB   THR  54           HB       THR  54  -6.591  -9.232 -10.996
  423    HG1  THR  54           1HG      THR  54  -6.730 -11.267 -10.274
  424   HG21  THR  54          3HG2      THR  54  -4.751  -8.459 -12.359
  425   HG22  THR  54          1HG2      THR  54  -5.320 -10.011 -12.975
  426   HG23  THR  54          2HG2      THR  54  -3.837  -9.930 -12.022
  427    H    TRP  55           H        TRP  55  -5.976 -10.251  -7.644
  428    HA   TRP  55           HA       TRP  55  -8.106  -8.470  -7.208
  429    HB2  TRP  55           2HB      TRP  55  -8.574  -9.622  -5.212
  430    HB3  TRP  55           1HB      TRP  55  -7.981 -10.820  -6.345
  431    HD1  TRP  55           HD       TRP  55  -5.676 -11.945  -5.753
  432    HE1  TRP  55           1HE      TRP  55  -4.342 -12.116  -3.630
  433    HE3  TRP  55           3HE      TRP  55  -7.885  -8.256  -3.285
  434    HZ2  TRP  55           2HZ      TRP  55  -4.236 -10.777  -1.113
  435    HZ3  TRP  55           3HZ      TRP  55  -7.150  -7.716  -1.112
  436    HH2  TRP  55           HH       TRP  55  -5.384  -8.917   0.017
  437    H    VAL  56           H        VAL  56  -4.843  -8.573  -6.084
  438    HA   VAL  56           HA       VAL  56  -5.055  -6.378  -4.292
  439    HB   VAL  56           HB       VAL  56  -2.765  -7.827  -5.586
  440   HG11  VAL  56          1HG1      VAL  56  -1.191  -6.398  -4.435
  441   HG12  VAL  56          2HG1      VAL  56  -2.508  -5.389  -3.837
  442   HG13  VAL  56          3HG1      VAL  56  -2.159  -5.451  -5.566
  443   HG21  VAL  56          3HG2      VAL  56  -3.825  -8.851  -3.678
  444   HG22  VAL  56          1HG2      VAL  56  -3.632  -7.370  -2.742
  445   HG23  VAL  56          2HG2      VAL  56  -2.211  -8.291  -3.237
  446    H    LYS  57           H        LYS  57  -3.992  -6.747  -7.653
  447    HA   LYS  57           HA       LYS  57  -3.258  -4.082  -8.078
  448    HB2  LYS  57           2HB      LYS  57  -4.327  -6.076 -10.074
  449    HB3  LYS  57           1HB      LYS  57  -3.496  -4.581 -10.474
  450    HG2  LYS  57           2HG      LYS  57  -1.521  -5.450  -9.198
  451    HG3  LYS  57           1HG      LYS  57  -2.364  -6.994  -9.086
  452    HD2  LYS  57           2HD      LYS  57  -2.471  -7.102 -11.530
  453    HD3  LYS  57           1HD      LYS  57  -1.601  -5.572 -11.636
  454    HE2  LYS  57           2HE      LYS  57   0.264  -6.667 -10.361
  455    HE3  LYS  57           1HE      LYS  57  -0.597  -8.194 -10.537
  456    HZ1  LYS  57           3HZ      LYS  57  -0.518  -7.778 -12.999
  457    HZ2  LYS  57           1HZ      LYS  57   0.984  -8.083 -12.272
  458    HZ3  LYS  57           2HZ      LYS  57   0.551  -6.499 -12.688
  459    H    TYR  58           H        TYR  58  -6.384  -5.690  -8.312
  460    HA   TYR  58           HA       TYR  58  -7.823  -3.524  -9.380
  461    HB2  TYR  58           2HB      TYR  58  -8.993  -5.527  -9.441
  462    HB3  TYR  58           1HB      TYR  58  -8.531  -5.968  -7.800
  463    HD1  TYR  58           1HD      TYR  58 -10.511  -3.309  -9.555
  464    HD2  TYR  58           2HD      TYR  58 -10.138  -5.864  -6.177
  465    HE1  TYR  58           1HE      TYR  58 -12.656  -2.472  -8.692
  466    HE2  TYR  58           2HE      TYR  58 -12.282  -5.048  -5.312
  467    HH   TYR  58           HH       TYR  58 -14.498  -3.400  -7.112
  468    H    ILE  59           H        ILE  59  -7.232  -4.532  -6.015
  469    HA   ILE  59           HA       ILE  59  -8.767  -2.433  -4.893
  470    HB   ILE  59           HB       ILE  59  -6.622  -4.092  -3.568
  471   HG12  ILE  59          2HG1      ILE  59  -9.633  -4.427  -3.627
  472   HG13  ILE  59          1HG1      ILE  59  -8.489  -5.407  -4.537
  473   HG21  ILE  59          1HG2      ILE  59  -7.112  -2.031  -2.342
  474   HG22  ILE  59          2HG2      ILE  59  -7.725  -3.438  -1.471
  475   HG23  ILE  59          3HG2      ILE  59  -8.832  -2.410  -2.380
  476   HD11  ILE  59          3HD1      ILE  59  -7.524  -6.214  -2.446
  477   HD12  ILE  59          1HD1      ILE  59  -9.248  -6.567  -2.555
  478   HD13  ILE  59          2HD1      ILE  59  -8.682  -5.237  -1.541
  479    H    VAL  60           H        VAL  60  -5.254  -2.852  -5.359
  480    HA   VAL  60           HA       VAL  60  -4.533  -0.425  -4.088
  481    HB   VAL  60           HB       VAL  60  -2.916  -2.257  -4.467
  482   HG11  VAL  60          1HG1      VAL  60  -3.545  -2.872  -6.740
  483   HG12  VAL  60          2HG1      VAL  60  -1.825  -2.506  -6.634
  484   HG13  VAL  60          3HG1      VAL  60  -2.935  -1.329  -7.337
  485   HG21  VAL  60          3HG2      VAL  60  -2.123   0.412  -5.625
  486   HG22  VAL  60          1HG2      VAL  60  -0.998  -0.829  -5.073
  487   HG23  VAL  60          2HG2      VAL  60  -2.087  -0.050  -3.922
  488    H    ARG  61           H        ARG  61  -5.371  -1.172  -7.438
  489    HA   ARG  61           HA       ARG  61  -4.667   1.349  -8.521
  490    HB2  ARG  61           2HB      ARG  61  -5.062  -0.515 -10.004
  491    HB3  ARG  61           1HB      ARG  61  -6.703  -0.706  -9.408
  492    HG2  ARG  61           2HG      ARG  61  -7.369   1.374 -10.427
  493    HG3  ARG  61           1HG      ARG  61  -5.708   1.709 -10.912
  494    HD2  ARG  61           2HD      ARG  61  -7.297  -0.678 -11.852
  495    HD3  ARG  61           1HD      ARG  61  -7.183   0.841 -12.742
  496    HE   ARG  61           HE       ARG  61  -4.608  -0.184 -12.111
  497   HH11  ARG  61          1HH1      ARG  61  -7.300  -0.605 -14.312
  498   HH12  ARG  61          2HH1      ARG  61  -6.320  -1.260 -15.589
  499   HH21  ARG  61          1HH2      ARG  61  -3.313  -1.080 -13.788
  500   HH22  ARG  61          2HH2      ARG  61  -4.055  -1.540 -15.293
  501    H    LEU  62           H        LEU  62  -7.492   0.110  -6.883
  502    HA   LEU  62           HA       LEU  62  -9.115   2.431  -7.296
  503    HB2  LEU  62           2HB      LEU  62  -9.964   0.123  -6.776
  504    HB3  LEU  62           1HB      LEU  62  -9.341   0.315  -5.152
  505    HG   LEU  62           HG       LEU  62 -10.878   2.265  -4.857
  506   HD11  LEU  62          1HD1      LEU  62 -11.962   1.314  -7.503
  507   HD12  LEU  62          2HD1      LEU  62 -11.160   2.852  -7.192
  508   HD13  LEU  62          3HD1      LEU  62 -12.722   2.509  -6.450
  509   HD21  LEU  62          3HD2      LEU  62 -12.149  -0.376  -5.573
  510   HD22  LEU  62          1HD2      LEU  62 -12.898   0.896  -4.607
  511   HD23  LEU  62          2HD2      LEU  62 -11.464   0.063  -4.007
  512    H    LEU  63           H        LEU  63  -6.938   1.286  -4.763
  513    HA   LEU  63           HA       LEU  63  -7.494   3.361  -2.918
  514    HB2  LEU  63           2HB      LEU  63  -5.575   1.167  -3.141
  515    HB3  LEU  63           1HB      LEU  63  -4.966   2.563  -2.275
  516    HG   LEU  63           HG       LEU  63  -5.926   0.958  -0.722
  517   HD11  LEU  63          1HD1      LEU  63  -6.105   3.312  -0.151
  518   HD12  LEU  63          2HD1      LEU  63  -7.526   2.436   0.416
  519   HD13  LEU  63          3HD1      LEU  63  -7.626   3.430  -1.037
  520   HD21  LEU  63          3HD2      LEU  63  -7.520  -0.121  -2.219
  521   HD22  LEU  63          1HD2      LEU  63  -8.497   1.346  -2.251
  522   HD23  LEU  63          2HD2      LEU  63  -8.313   0.441  -0.749
  523    H    SER  64           H        SER  64  -5.397   3.137  -5.677
  524    HA   SER  64           HA       SER  64  -4.198   5.725  -5.020
  525    HB2  SER  64           2HB      SER  64  -2.813   5.265  -7.104
  526    HB3  SER  64           1HB      SER  64  -2.554   4.161  -5.753
  527    HG   SER  64           HG       SER  64  -3.710   2.605  -6.789
  528    H    LYS  65           H        LYS  65  -7.017   4.929  -6.067
  529    HA   LYS  65           HA       LYS  65  -7.089   6.711  -8.390
  530    HB2  LYS  65           2HB      LYS  65  -8.100   4.401  -8.512
  531    HB3  LYS  65           1HB      LYS  65  -9.287   4.927  -7.332
  532    HG2  LYS  65           2HG      LYS  65 -10.205   6.518  -8.860
  533    HG3  LYS  65           1HG      LYS  65  -8.903   6.222 -10.017
  534    HD2  LYS  65           2HD      LYS  65  -9.659   3.966 -10.368
  535    HD3  LYS  65           1HD      LYS  65 -10.871   4.131  -9.096
  536    HE2  LYS  65           2HE      LYS  65 -11.844   4.319 -11.342
  537    HE3  LYS  65           1HE      LYS  65 -12.052   5.795 -10.405
  538    HZ1  LYS  65           3HZ      LYS  65 -10.208   6.780 -11.597
  539    HZ2  LYS  65           1HZ      LYS  65 -11.387   6.250 -12.686
  540    HZ3  LYS  65           2HZ      LYS  65  -9.960   5.354 -12.476
  541    H    LYS  66           H        LYS  66  -7.118   7.090  -5.263
  542    HA   LYS  66           HA       LYS  66  -9.450   8.745  -4.909
  543    HB2  LYS  66           2HB      LYS  66  -8.382   9.342  -2.717
  544    HB3  LYS  66           1HB      LYS  66  -8.666   7.623  -2.946
  545    HG2  LYS  66           2HG      LYS  66  -6.301   7.325  -3.522
  546    HG3  LYS  66           1HG      LYS  66  -6.029   9.049  -3.251
  547    HD2  LYS  66           2HD      LYS  66  -7.087   7.132  -1.174
  548    HD3  LYS  66           1HD      LYS  66  -5.398   7.625  -1.311
  549    HE2  LYS  66           2HE      LYS  66  -7.685   9.550  -0.924
  550    HE3  LYS  66           1HE      LYS  66  -6.734   8.882   0.399
  551    HZ1  LYS  66           3HZ      LYS  66  -5.524  10.375  -1.854
  552    HZ2  LYS  66           1HZ      LYS  66  -4.800   9.947  -0.385
  553    HZ3  LYS  66           2HZ      LYS  66  -6.022  11.119  -0.414
  554    H    VAL  67           H        VAL  67  -8.606   9.755  -7.031
  555    HA   VAL  67           HA       VAL  67  -6.720  11.941  -6.506
  556    HB   VAL  67           HB       VAL  67  -6.540  12.116  -8.958
  557   HG11  VAL  67          1HG1      VAL  67  -4.998  10.643  -7.773
  558   HG12  VAL  67          2HG1      VAL  67  -5.388   9.985  -9.362
  559   HG13  VAL  67          3HG1      VAL  67  -6.141   9.306  -7.919
  560   HG21  VAL  67          3HG2      VAL  67  -7.585  10.418 -10.399
  561   HG22  VAL  67          1HG2      VAL  67  -8.799  11.376  -9.547
  562   HG23  VAL  67          2HG2      VAL  67  -8.416   9.742  -8.998
  563    H    LYS  68           H        LYS  68  -7.312  13.923  -8.016
  564    HA   LYS  68           HA       LYS  68  -9.946  14.784  -7.245
  565    HB2  LYS  68           2HB      LYS  68  -7.979  16.329  -7.298
  566    HB3  LYS  68           1HB      LYS  68  -7.958  16.185  -9.050
  567    HG2  LYS  68           2HG      LYS  68 -10.190  17.171  -9.160
  568    HG3  LYS  68           1HG      LYS  68 -10.216  17.306  -7.401
  569    HD2  LYS  68           2HD      LYS  68  -9.625  19.442  -8.315
  570    HD3  LYS  68           1HD      LYS  68  -8.197  18.751  -7.540
  571    HE2  LYS  68           2HE      LYS  68  -7.384  18.007  -9.733
  572    HE3  LYS  68           1HE      LYS  68  -8.799  18.727 -10.498
  573    HZ1  LYS  68           3HZ      LYS  68  -6.988  20.237 -10.703
  574    HZ2  LYS  68           1HZ      LYS  68  -6.628  20.142  -9.048
  575    HZ3  LYS  68           2HZ      LYS  68  -8.060  20.891  -9.563
  576    H    ASN  69           H        ASN  69 -11.420  13.542  -8.283
  577    HA   ASN  69           HA       ASN  69 -11.231  13.233 -11.191
  578    HB2  ASN  69           2HB      ASN  69 -11.557  11.204  -9.778
  579    HB3  ASN  69           1HB      ASN  69 -13.095  11.865  -9.238
  580   HD21  ASN  69          1HD2      ASN  69 -11.760  12.058 -12.485
  581   HD22  ASN  69          2HD2      ASN  69 -12.982  11.094 -13.236
  582    H    MET  70           H        MET  70 -13.718  13.911  -8.744
  583    HA   MET  70           HA       MET  70 -14.894  15.871 -10.568
  584    HB2  MET  70           2HB      MET  70 -16.119  13.690 -10.806
  585    HB3  MET  70           1HB      MET  70 -16.528  13.789  -9.101
  586    HG2  MET  70           2HG      MET  70 -18.401  14.538 -10.369
  587    HG3  MET  70           1HG      MET  70 -17.691  15.926  -9.548
  588    HE1  MET  70           3HE      MET  70 -18.977  17.627 -11.066
  589    HE2  MET  70           1HE      MET  70 -19.768  16.290 -11.903
  590    HE3  MET  70           2HE      MET  70 -18.986  17.571 -12.830
  Start of MODEL   12
    1    H1   ALA   1           1HT      ALA   1  16.351   6.114   7.878
    2    H2   ALA   1           2HT      ALA   1  17.943   6.526   7.479
    3    H3   ALA   1           3HT      ALA   1  17.260   5.104   6.864
    4    HA   ALA   1           HA       ALA   1  16.388   7.861   6.232
    5    HB1  ALA   1           1HB      ALA   1  17.304   7.450   4.017
    6    HB2  ALA   1           2HB      ALA   1  17.841   5.847   4.523
    7    HB3  ALA   1           3HB      ALA   1  18.552   7.288   5.251
    8    H    SER   2           H        SER   2  15.658   4.504   6.324
    9    HA   SER   2           HA       SER   2  13.704   4.413   4.274
   10    HB2  SER   2           2HB      SER   2  13.898   2.718   6.781
   11    HB3  SER   2           1HB      SER   2  13.061   2.301   5.283
   12    HG   SER   2           HG       SER   2  14.951   1.956   4.289
   13    H    ASN   3           H        ASN   3  11.727   5.284   4.245
   14    HA   ASN   3           HA       ASN   3  10.567   6.601   6.484
   15    HB2  ASN   3           2HB      ASN   3  10.026   7.315   4.207
   16    HB3  ASN   3           1HB      ASN   3   9.332   5.738   3.855
   17   HD21  ASN   3          1HD2      ASN   3   7.314   6.473   3.373
   18   HD22  ASN   3          2HD2      ASN   3   6.234   7.156   4.549
   19    H    PHE   4           H        PHE   4   9.935   3.544   4.836
   20    HA   PHE   4           HA       PHE   4   8.577   2.603   7.267
   21    HB2  PHE   4           2HB      PHE   4   7.094   1.223   5.774
   22    HB3  PHE   4           1HB      PHE   4   6.803   2.948   5.697
   23    HD1  PHE   4           1HD      PHE   4   8.987   0.456   3.991
   24    HD2  PHE   4           2HD      PHE   4   6.376   3.794   3.631
   25    HE1  PHE   4           1HE      PHE   4   9.233   0.384   1.551
   26    HE2  PHE   4           2HE      PHE   4   6.616   3.726   1.187
   27    HZ   PHE   4           HZ       PHE   4   8.051   2.003   0.152
   28    H    ASP   5           H        ASP   5   8.190   0.078   6.816
   29    HA   ASP   5           HA       ASP   5  10.542  -1.077   5.538
   30    HB2  ASP   5           2HB      ASP   5  10.547  -2.829   7.401
   31    HB3  ASP   5           1HB      ASP   5  11.186  -1.241   7.796
   32    H    CYS   6           H        CYS   6   9.760  -2.154   3.890
   33    HA   CYS   6           HA       CYS   6   7.494  -3.280   3.205
   34    HB2  CYS   6           2HB      CYS   6   8.698  -4.958   1.978
   35    HB3  CYS   6           1HB      CYS   6   9.681  -3.500   2.010
   36    H    CYS   7           H        CYS   7   6.371  -5.236   3.475
   37    HA   CYS   7           HA       CYS   7   6.226  -6.261   6.079
   38    HB2  CYS   7           2HB      CYS   7   4.339  -6.325   4.477
   39    HB3  CYS   7           1HB      CYS   7   5.211  -7.513   3.516
   40    H    LEU   8           H        LEU   8   6.717  -8.350   6.855
   41    HA   LEU   8           HA       LEU   8   9.305  -9.276   6.064
   42    HB2  LEU   8           2HB      LEU   8   7.366 -10.514   8.023
   43    HB3  LEU   8           1HB      LEU   8   9.090 -10.815   7.925
   44    HG   LEU   8           HG       LEU   8   7.854  -8.161   8.662
   45   HD11  LEU   8          1HD1      LEU   8   7.426  -9.832  10.373
   46   HD12  LEU   8          2HD1      LEU   8   8.628  -8.666  10.926
   47   HD13  LEU   8          3HD1      LEU   8   9.133 -10.269  10.390
   48   HD21  LEU   8          3HD2      LEU   8  10.709  -9.126   8.759
   49   HD22  LEU   8          1HD2      LEU   8  10.124  -7.558   9.315
   50   HD23  LEU   8          2HD2      LEU   8  10.048  -7.970   7.600
   51    H    GLY   9           H        GLY   9   6.411  -9.732   4.713
   52    HA2  GLY   9           2HA      GLY   9   7.241 -11.797   3.009
   53    HA3  GLY   9           1HA      GLY   9   6.162 -12.471   4.227
   54    H    TYR  10           H        TYR  10   4.626 -12.916   2.556
   55    HA   TYR  10           HA       TYR  10   2.987 -10.550   2.008
   56    HB2  TYR  10           2HB      TYR  10   3.570 -12.707  -0.027
   57    HB3  TYR  10           1HB      TYR  10   2.450 -11.382  -0.240
   58    HD1  TYR  10           2HD      TYR  10   6.043 -12.193   0.167
   59    HD2  TYR  10           1HD      TYR  10   3.200  -9.265  -1.091
   60    HE1  TYR  10           2HE      TYR  10   7.852 -10.877  -0.852
   61    HE2  TYR  10           1HE      TYR  10   5.010  -7.964  -2.108
   62    HH   TYR  10           HH       TYR  10   7.306  -7.671  -2.111
   63    H    THR  11           H        THR  11   0.878 -11.678   0.773
   64    HA   THR  11           HA       THR  11   0.020 -13.844   2.571
   65    HB   THR  11           HB       THR  11  -0.919 -11.603   3.197
   66    HG1  THR  11           1HG      THR  11  -2.100 -13.383   3.829
   67   HG21  THR  11          3HG2      THR  11  -1.188 -10.654   0.960
   68   HG22  THR  11          1HG2      THR  11  -2.726 -10.675   1.823
   69   HG23  THR  11          2HG2      THR  11  -2.399 -11.881   0.581
   70    H    ASP  12           H        ASP  12  -1.069 -15.494   1.651
   71    HA   ASP  12           HA       ASP  12  -1.422 -15.417  -1.258
   72    HB2  ASP  12           2HB      ASP  12  -1.211 -17.720   0.689
   73    HB3  ASP  12           1HB      ASP  12  -1.592 -17.920  -1.018
   74    H    ARG  13           H        ARG  13  -3.395 -14.019  -0.327
   75    HA   ARG  13           HA       ARG  13  -5.695 -15.855  -0.072
   76    HB2  ARG  13           2HB      ARG  13  -5.300 -13.134   1.186
   77    HB3  ARG  13           1HB      ARG  13  -6.841 -13.971   1.132
   78    HG2  ARG  13           2HG      ARG  13  -4.375 -15.096   2.460
   79    HG3  ARG  13           1HG      ARG  13  -5.634 -14.190   3.302
   80    HD2  ARG  13           2HD      ARG  13  -6.087 -16.507   3.625
   81    HD3  ARG  13           1HD      ARG  13  -7.280 -15.889   2.486
   82    HE   ARG  13           HE       ARG  13  -4.882 -17.226   1.450
   83   HH11  ARG  13          1HH1      ARG  13  -8.351 -17.302   2.008
   84   HH12  ARG  13          2HH1      ARG  13  -8.630 -18.556   0.830
   85   HH21  ARG  13          1HH2      ARG  13  -5.255 -18.837  -0.103
   86   HH22  ARG  13          2HH2      ARG  13  -6.868 -19.439  -0.364
   87    H    ILE  14           H        ILE  14  -7.773 -14.557  -0.490
   88    HA   ILE  14           HA       ILE  14  -7.444 -12.555  -2.613
   89    HB   ILE  14           HB       ILE  14  -9.628 -14.629  -2.323
   90   HG12  ILE  14          2HG1      ILE  14  -7.336 -15.101  -3.522
   91   HG13  ILE  14          1HG1      ILE  14  -8.849 -15.657  -4.231
   92   HG21  ILE  14          1HG2      ILE  14 -10.675 -13.609  -4.303
   93   HG22  ILE  14          2HG2      ILE  14  -9.491 -12.304  -4.231
   94   HG23  ILE  14          3HG2      ILE  14 -10.643 -12.518  -2.915
   95   HD11  ILE  14          3HD1      ILE  14  -7.275 -13.215  -5.011
   96   HD12  ILE  14          1HD1      ILE  14  -8.870 -13.632  -5.642
   97   HD13  ILE  14          2HD1      ILE  14  -7.493 -14.696  -5.945
   98    H    LEU  15           H        LEU  15  -7.451 -10.921  -0.988
   99    HA   LEU  15           HA       LEU  15  -9.764 -10.732   0.765
  100    HB2  LEU  15           2HB      LEU  15  -7.324  -8.983   0.426
  101    HB3  LEU  15           1HB      LEU  15  -8.649  -8.580   1.507
  102    HG   LEU  15           HG       LEU  15  -7.039  -9.512   2.904
  103   HD11  LEU  15          1HD1      LEU  15  -9.215 -10.509   3.310
  104   HD12  LEU  15          2HD1      LEU  15  -7.930 -11.665   3.652
  105   HD13  LEU  15          3HD1      LEU  15  -8.860 -11.794   2.158
  106   HD21  LEU  15          3HD2      LEU  15  -5.554 -10.322   1.150
  107   HD22  LEU  15          1HD2      LEU  15  -6.620 -11.699   0.875
  108   HD23  LEU  15          2HD2      LEU  15  -5.775 -11.532   2.416
  109    H    HIS  16           H        HIS  16 -10.973  -8.654   0.837
  110    HA   HIS  16           HA       HIS  16 -11.208  -7.488  -1.858
  111    HB2  HIS  16           2HB      HIS  16 -13.512  -8.346  -0.101
  112    HB3  HIS  16           1HB      HIS  16 -13.647  -7.548  -1.661
  113    HD1  HIS  16           1HD      HIS  16 -15.073 -10.117  -1.346
  114    HD2  HIS  16           2HD      HIS  16 -11.122  -9.937  -2.577
  115    HE1  HIS  16           1HE      HIS  16 -14.643 -12.254  -2.504
  116    HE2  HIS  16           2HE      HIS  16 -12.395 -11.962  -3.592
  117    HA   PRO  17           HA       PRO  17 -12.017  -3.538   0.220
  118    HB2  PRO  17           2HB      PRO  17 -14.604  -2.996  -0.702
  119    HB3  PRO  17           1HB      PRO  17 -13.109  -2.491  -1.495
  120    HG2  PRO  17           2HG      PRO  17 -14.897  -4.794  -2.099
  121    HG3  PRO  17           1HG      PRO  17 -13.955  -3.779  -3.206
  122    HD2  PRO  17           2HD      PRO  17 -13.178  -6.283  -2.552
  123    HD3  PRO  17           1HD      PRO  17 -12.005  -4.974  -2.845
  124    H    LYS  18           H        LYS  18 -14.216  -6.161   0.099
  125    HA   LYS  18           HA       LYS  18 -16.020  -5.898   2.113
  126    HB2  LYS  18           2HB      LYS  18 -14.351  -8.297   1.327
  127    HB3  LYS  18           1HB      LYS  18 -15.794  -8.410   2.310
  128    HG2  LYS  18           2HG      LYS  18 -16.247  -6.951  -0.157
  129    HG3  LYS  18           1HG      LYS  18 -15.674  -8.596  -0.426
  130    HD2  LYS  18           2HD      LYS  18 -17.984  -7.877   1.367
  131    HD3  LYS  18           1HD      LYS  18 -18.156  -8.382  -0.314
  132    HE2  LYS  18           2HE      LYS  18 -16.995 -10.497   0.251
  133    HE3  LYS  18           1HE      LYS  18 -16.962  -9.989   1.940
  134    HZ1  LYS  18           3HZ      LYS  18 -19.397 -10.477   0.302
  135    HZ2  LYS  18           1HZ      LYS  18 -19.405  -9.896   1.899
  136    HZ3  LYS  18           2HZ      LYS  18 -18.819 -11.451   1.566
  137    H    PHE  19           H        PHE  19 -12.540  -6.236   2.478
  138    HA   PHE  19           HA       PHE  19 -12.892  -6.213   5.411
  139    HB2  PHE  19           2HB      PHE  19 -10.666  -7.584   3.899
  140    HB3  PHE  19           1HB      PHE  19 -10.841  -7.525   5.643
  141    HD1  PHE  19           1HD      PHE  19 -12.679  -8.765   6.743
  142    HD2  PHE  19           2HD      PHE  19 -11.851  -9.175   2.591
  143    HE1  PHE  19           1HE      PHE  19 -13.976 -10.853   6.697
  144    HE2  PHE  19           2HE      PHE  19 -13.147 -11.268   2.533
  145    HZ   PHE  19           HZ       PHE  19 -14.214 -12.106   4.593
  146    H    ILE  20           H        ILE  20 -11.714  -4.560   2.747
  147    HA   ILE  20           HA       ILE  20  -9.300  -3.582   4.057
  148    HB   ILE  20           HB       ILE  20 -10.333  -3.521   1.260
  149   HG12  ILE  20          2HG1      ILE  20  -8.104  -4.219   0.686
  150   HG13  ILE  20          1HG1      ILE  20  -7.501  -3.842   2.291
  151   HG21  ILE  20          1HG2      ILE  20  -9.958  -1.158   1.684
  152   HG22  ILE  20          2HG2      ILE  20  -8.742  -1.795   0.581
  153   HG23  ILE  20          3HG2      ILE  20  -8.330  -1.502   2.272
  154   HD11  ILE  20          3HD1      ILE  20  -8.831  -5.663   3.216
  155   HD12  ILE  20          1HD1      ILE  20  -7.739  -6.235   1.955
  156   HD13  ILE  20          2HD1      ILE  20  -9.455  -6.024   1.606
  157    H    VAL  21           H        VAL  21  -9.312  -1.839   5.256
  158    HA   VAL  21           HA       VAL  21 -11.197   0.333   4.593
  159    HB   VAL  21           HB       VAL  21 -11.214   0.993   6.942
  160   HG11  VAL  21          1HG1      VAL  21 -12.947  -0.516   6.167
  161   HG12  VAL  21          2HG1      VAL  21 -12.521  -0.870   7.840
  162   HG13  VAL  21          3HG1      VAL  21 -11.931  -1.910   6.542
  163   HG21  VAL  21          3HG2      VAL  21  -9.508  -1.453   7.393
  164   HG22  VAL  21          1HG2      VAL  21 -10.278  -0.499   8.664
  165   HG23  VAL  21          2HG2      VAL  21  -9.039   0.230   7.641
  166    H    GLY  22           H        GLY  22  -8.019  -0.612   4.693
  167    HA2  GLY  22           2HA      GLY  22  -7.113   2.119   4.301
  168    HA3  GLY  22           1HA      GLY  22  -6.417   1.282   5.683
  169    H    PHE  23           H        PHE  23  -4.989   2.231   3.374
  170    HA   PHE  23           HA       PHE  23  -3.751  -0.273   2.508
  171    HB2  PHE  23           2HB      PHE  23  -5.123  -0.120   0.701
  172    HB3  PHE  23           1HB      PHE  23  -5.283   1.628   0.824
  173    HD1  PHE  23           1HD      PHE  23  -3.110  -1.111  -0.286
  174    HD2  PHE  23           2HD      PHE  23  -3.880   3.058  -0.310
  175    HE1  PHE  23           1HE      PHE  23  -1.471  -0.821  -2.093
  176    HE2  PHE  23           2HE      PHE  23  -2.250   3.351  -2.139
  177    HZ   PHE  23           HZ       PHE  23  -1.062   1.383  -2.996
  178    H    THR  24           H        THR  24  -1.639  -0.103   2.282
  179    HA   THR  24           HA       THR  24  -0.368   2.499   1.975
  180    HB   THR  24           HB       THR  24   0.388   0.601   4.206
  181    HG1  THR  24           1HG      THR  24  -0.989   3.100   4.186
  182   HG21  THR  24          3HG2      THR  24   1.464   3.338   3.482
  183   HG22  THR  24          1HG2      THR  24   2.312   1.807   3.275
  184   HG23  THR  24          2HG2      THR  24   1.927   2.391   4.896
  185    H    ARG  25           H        ARG  25   0.828   2.169   0.183
  186    HA   ARG  25           HA       ARG  25   1.803  -0.500  -0.426
  187    HB2  ARG  25           2HB      ARG  25   2.278   0.285  -2.583
  188    HB3  ARG  25           1HB      ARG  25   0.841   1.200  -2.130
  189    HG2  ARG  25           2HG      ARG  25   2.217   3.132  -1.589
  190    HG3  ARG  25           1HG      ARG  25   3.681   2.217  -1.943
  191    HD2  ARG  25           2HD      ARG  25   3.351   3.441  -3.879
  192    HD3  ARG  25           1HD      ARG  25   2.618   1.885  -4.277
  193    HE   ARG  25           HE       ARG  25   0.837   3.915  -3.183
  194   HH11  ARG  25          1HH1      ARG  25   2.060   2.256  -6.005
  195   HH12  ARG  25          2HH1      ARG  25   0.794   2.806  -7.050
  196   HH21  ARG  25          1HH2      ARG  25  -0.817   4.660  -4.522
  197   HH22  ARG  25          2HH2      ARG  25  -0.874   4.188  -6.192
  198    H    GLN  26           H        GLN  26   3.922  -1.144  -0.313
  199    HA   GLN  26           HA       GLN  26   5.809   0.889   0.640
  200    HB2  GLN  26           2HB      GLN  26   6.980  -0.864   1.897
  201    HB3  GLN  26           1HB      GLN  26   5.336  -0.620   2.449
  202    HG2  GLN  26           2HG      GLN  26   4.898  -2.625   0.781
  203    HG3  GLN  26           1HG      GLN  26   6.588  -2.950   1.151
  204   HE21  GLN  26          1HE2      GLN  26   6.224  -1.705   3.839
  205   HE22  GLN  26          2HE2      GLN  26   5.459  -2.934   4.780
  206    H    LEU  27           H        LEU  27   7.114   1.421  -0.870
  207    HA   LEU  27           HA       LEU  27   7.782  -0.482  -2.989
  208    HB2  LEU  27           2HB      LEU  27   8.178   2.512  -2.859
  209    HB3  LEU  27           1HB      LEU  27   8.526   1.495  -4.245
  210    HG   LEU  27           HG       LEU  27   5.784   1.952  -3.060
  211   HD11  LEU  27          1HD1      LEU  27   6.681   3.951  -4.138
  212   HD12  LEU  27          2HD1      LEU  27   5.355   3.254  -5.070
  213   HD13  LEU  27          3HD1      LEU  27   7.023   3.017  -5.595
  214   HD21  LEU  27          3HD2      LEU  27   4.970   0.802  -5.044
  215   HD22  LEU  27          1HD2      LEU  27   6.038  -0.246  -4.107
  216   HD23  LEU  27          2HD2      LEU  27   6.630   0.523  -5.579
  217    H    ALA  28           H        ALA  28  10.002  -0.307  -3.890
  218    HA   ALA  28           HA       ALA  28  11.883  -0.708  -1.750
  219    HB1  ALA  28           1HB      ALA  28  11.745  -2.252  -3.635
  220    HB2  ALA  28           2HB      ALA  28  13.356  -1.543  -3.490
  221    HB3  ALA  28           3HB      ALA  28  12.243  -0.961  -4.730
  222    H    ASN  29           H        ASN  29  10.925   2.093  -2.814
  223    HA   ASN  29           HA       ASN  29  13.597   3.213  -3.350
  224    HB2  ASN  29           2HB      ASN  29  10.857   4.295  -4.021
  225    HB3  ASN  29           1HB      ASN  29  12.352   5.186  -4.267
  226   HD21  ASN  29          1HD2      ASN  29  10.319   2.642  -5.382
  227   HD22  ASN  29          2HD2      ASN  29  11.170   2.308  -6.856
  228    H    GLU  30           H        GLU  30  11.096   3.111  -1.036
  229    HA   GLU  30           HA       GLU  30  12.196   5.464   0.327
  230    HB2  GLU  30           2HB      GLU  30   9.723   5.972   0.925
  231    HB3  GLU  30           1HB      GLU  30  10.335   6.440  -0.654
  232    HG2  GLU  30           2HG      GLU  30   9.424   4.070  -1.347
  233    HG3  GLU  30           1HG      GLU  30   8.409   4.290   0.075
  234    H    GLY  31           H        GLY  31  12.521   2.590   0.805
  235    HA2  GLY  31           2HA      GLY  31  12.392   2.655   3.593
  236    HA3  GLY  31           1HA      GLY  31  10.963   1.801   3.031
  237    H    CYS  32           H        CYS  32  11.232  -0.126   1.850
  238    HA   CYS  32           HA       CYS  32  13.650  -1.559   2.682
  239    HB2  CYS  32           2HB      CYS  32  11.606  -2.346   3.680
  240    HB3  CYS  32           1HB      CYS  32  10.840  -2.485   2.102
  241    H    ASP  33           H        ASP  33  14.151  -3.506   1.217
  242    HA   ASP  33           HA       ASP  33  14.501  -2.487  -1.464
  243    HB2  ASP  33           2HB      ASP  33  15.496  -4.983  -0.082
  244    HB3  ASP  33           1HB      ASP  33  15.811  -4.637  -1.780
  245    H    ILE  34           H        ILE  34  12.383  -4.719   0.126
  246    HA   ILE  34           HA       ILE  34  11.495  -5.725  -2.481
  247    HB   ILE  34           HB       ILE  34  10.462  -7.529  -1.480
  248   HG12  ILE  34          2HG1      ILE  34  10.414  -6.096   1.188
  249   HG13  ILE  34          1HG1      ILE  34   9.062  -6.162   0.066
  250   HG21  ILE  34          1HG2      ILE  34  12.860  -7.685  -1.115
  251   HG22  ILE  34          2HG2      ILE  34  11.978  -8.472   0.193
  252   HG23  ILE  34          3HG2      ILE  34  12.689  -6.879   0.445
  253   HD11  ILE  34          3HD1      ILE  34  10.334  -8.513   1.452
  254   HD12  ILE  34          1HD1      ILE  34   8.991  -8.591   0.312
  255   HD13  ILE  34          2HD1      ILE  34   8.786  -7.764   1.856
  256    H    ASN  35           H        ASN  35   9.179  -5.733  -2.936
  257    HA   ASN  35           HA       ASN  35   7.891  -3.375  -1.743
  258    HB2  ASN  35           2HB      ASN  35   6.679  -3.161  -3.965
  259    HB3  ASN  35           1HB      ASN  35   8.392  -2.770  -3.979
  260   HD21  ASN  35          1HD2      ASN  35   8.667  -3.135  -6.136
  261   HD22  ASN  35          2HD2      ASN  35   8.582  -4.704  -6.857
  262    H    ALA  36           H        ALA  36   5.994  -3.622  -0.806
  263    HA   ALA  36           HA       ALA  36   4.272  -5.843  -1.673
  264    HB1  ALA  36           1HB      ALA  36   4.855  -5.237   1.224
  265    HB2  ALA  36           2HB      ALA  36   5.469  -6.619   0.314
  266    HB3  ALA  36           3HB      ALA  36   3.738  -6.459   0.611
  267    H    ILE  37           H        ILE  37   2.040  -5.638  -0.773
  268    HA   ILE  37           HA       ILE  37   1.214  -2.805  -0.759
  269    HB   ILE  37           HB       ILE  37  -0.235  -5.244  -1.788
  270   HG12  ILE  37          2HG1      ILE  37   1.503  -4.464  -3.301
  271   HG13  ILE  37          1HG1      ILE  37  -0.078  -4.086  -3.970
  272   HG21  ILE  37          1HG2      ILE  37  -1.151  -2.404  -1.501
  273   HG22  ILE  37          2HG2      ILE  37  -1.896  -3.855  -0.839
  274   HG23  ILE  37          3HG2      ILE  37  -1.930  -3.558  -2.578
  275   HD11  ILE  37          3HD1      ILE  37   1.436  -2.246  -4.321
  276   HD12  ILE  37          1HD1      ILE  37   1.791  -2.168  -2.596
  277   HD13  ILE  37          2HD1      ILE  37   0.178  -1.764  -3.180
  278    H    ILE  38           H        ILE  38   0.785  -2.279   1.359
  279    HA   ILE  38           HA       ILE  38  -0.212  -4.315   3.164
  280    HB   ILE  38           HB       ILE  38   0.223  -1.377   3.718
  281   HG12  ILE  38          2HG1      ILE  38   2.013  -3.724   4.382
  282   HG13  ILE  38          1HG1      ILE  38   2.298  -2.590   3.063
  283   HG21  ILE  38          1HG2      ILE  38   0.148  -2.006   6.057
  284   HG22  ILE  38          2HG2      ILE  38  -0.107  -3.695   5.618
  285   HG23  ILE  38          3HG2      ILE  38  -1.343  -2.492   5.249
  286   HD11  ILE  38          3HD1      ILE  38   2.217  -1.913   6.001
  287   HD12  ILE  38          1HD1      ILE  38   2.485  -0.767   4.686
  288   HD13  ILE  38          2HD1      ILE  38   3.659  -2.045   4.993
  289    H    PHE  39           H        PHE  39  -2.303  -4.845   2.809
  290    HA   PHE  39           HA       PHE  39  -4.278  -2.687   2.702
  291    HB2  PHE  39           2HB      PHE  39  -4.535  -5.676   2.369
  292    HB3  PHE  39           1HB      PHE  39  -5.929  -4.614   2.507
  293    HD1  PHE  39           2HD      PHE  39  -4.936  -2.292   0.867
  294    HD2  PHE  39           1HD      PHE  39  -4.769  -6.495   0.214
  295    HE1  PHE  39           2HE      PHE  39  -4.873  -1.907  -1.572
  296    HE2  PHE  39           1HE      PHE  39  -4.701  -6.121  -2.210
  297    HZ   PHE  39           HZ       PHE  39  -4.742  -3.836  -3.100
  298    H    HIS  40           H        HIS  40  -4.895  -1.879   4.553
  299    HA   HIS  40           HA       HIS  40  -4.576  -3.396   7.012
  300    HB2  HIS  40           2HB      HIS  40  -5.723  -0.611   6.728
  301    HB3  HIS  40           1HB      HIS  40  -5.072  -1.358   8.180
  302    HD1  HIS  40           1HD      HIS  40  -2.708  -0.749   8.721
  303    HD2  HIS  40           2HD      HIS  40  -3.609  -0.197   4.700
  304    HE1  HIS  40           1HE      HIS  40  -0.708   0.416   7.711
  305    HE2  HIS  40           2HE      HIS  40  -1.396   0.961   5.369
  306    H    THR  41           H        THR  41  -6.128  -4.738   7.591
  307    HA   THR  41           HA       THR  41  -8.735  -4.594   6.415
  308    HB   THR  41           HB       THR  41  -9.235  -6.536   7.927
  309    HG1  THR  41           1HG      THR  41  -6.442  -6.491   8.479
  310   HG21  THR  41          3HG2      THR  41  -7.796  -8.106   6.685
  311   HG22  THR  41          1HG2      THR  41  -6.821  -6.747   6.126
  312   HG23  THR  41          2HG2      THR  41  -8.511  -6.883   5.633
  313    H    LYS  42           H        LYS  42 -10.698  -4.732   7.717
  314    HA   LYS  42           HA       LYS  42 -10.905  -2.612   9.597
  315    HB2  LYS  42           2HB      LYS  42 -12.685  -3.548   7.978
  316    HB3  LYS  42           1HB      LYS  42 -12.954  -4.781   9.200
  317    HG2  LYS  42           2HG      LYS  42 -13.637  -3.152  10.805
  318    HG3  LYS  42           1HG      LYS  42 -13.169  -1.828   9.736
  319    HD2  LYS  42           2HD      LYS  42 -14.871  -2.547   8.124
  320    HD3  LYS  42           1HD      LYS  42 -15.347  -3.849   9.215
  321    HE2  LYS  42           2HE      LYS  42 -16.878  -1.990   9.432
  322    HE3  LYS  42           1HE      LYS  42 -15.946  -2.180  10.916
  323    HZ1  LYS  42           3HZ      LYS  42 -15.305  -0.211   8.779
  324    HZ2  LYS  42           1HZ      LYS  42 -14.568  -0.335  10.302
  325    HZ3  LYS  42           2HZ      LYS  42 -16.189   0.152  10.181
  326    H    LYS  43           H        LYS  43  -9.519  -5.501   9.919
  327    HA   LYS  43           HA       LYS  43 -10.362  -5.985  12.661
  328    HB2  LYS  43           2HB      LYS  43  -8.553  -7.553  10.822
  329    HB3  LYS  43           1HB      LYS  43  -8.921  -8.016  12.477
  330    HG2  LYS  43           2HG      LYS  43 -10.929  -7.748  10.256
  331    HG3  LYS  43           1HG      LYS  43 -10.239  -9.263  10.838
  332    HD2  LYS  43           2HD      LYS  43 -11.177  -8.774  13.080
  333    HD3  LYS  43           1HD      LYS  43 -11.947  -7.332  12.412
  334    HE2  LYS  43           2HE      LYS  43 -13.558  -9.133  12.485
  335    HE3  LYS  43           1HE      LYS  43 -13.156  -8.779  10.803
  336    HZ1  LYS  43           3HZ      LYS  43 -12.166 -11.057  12.438
  337    HZ2  LYS  43           1HZ      LYS  43 -11.556 -10.668  10.906
  338    HZ3  LYS  43           2HZ      LYS  43 -13.175 -11.131  11.079
  339    H    LYS  44           H        LYS  44  -8.402  -3.915  11.254
  340    HA   LYS  44           HA       LYS  44  -6.588  -2.694  11.843
  341    HB2  LYS  44           2HB      LYS  44  -6.605  -4.269  14.428
  342    HB3  LYS  44           1HB      LYS  44  -5.694  -2.798  14.117
  343    HG2  LYS  44           2HG      LYS  44  -7.777  -1.554  13.864
  344    HG3  LYS  44           1HG      LYS  44  -8.694  -3.028  14.182
  345    HD2  LYS  44           2HD      LYS  44  -7.560  -3.196  16.387
  346    HD3  LYS  44           1HD      LYS  44  -6.793  -1.641  16.068
  347    HE2  LYS  44           2HE      LYS  44  -9.769  -2.114  16.185
  348    HE3  LYS  44           1HE      LYS  44  -8.799  -1.472  17.507
  349    HZ1  LYS  44           3HZ      LYS  44  -8.180   0.392  16.047
  350    HZ2  LYS  44           1HZ      LYS  44  -9.848   0.315  16.341
  351    HZ3  LYS  44           2HZ      LYS  44  -9.227  -0.207  14.856
  352    H    LEU  45           H        LEU  45  -6.519  -5.627  10.834
  353    HA   LEU  45           HA       LEU  45  -3.739  -6.253  11.492
  354    HB2  LEU  45           2HB      LEU  45  -5.795  -7.867   9.973
  355    HB3  LEU  45           1HB      LEU  45  -4.182  -8.411  10.384
  356    HG   LEU  45           HG       LEU  45  -6.364  -7.763  12.370
  357   HD11  LEU  45          1HD1      LEU  45  -6.415 -10.178  12.772
  358   HD12  LEU  45          2HD1      LEU  45  -5.268 -10.418  11.453
  359   HD13  LEU  45          3HD1      LEU  45  -6.873  -9.773  11.119
  360   HD21  LEU  45          3HD2      LEU  45  -4.126  -7.319  13.240
  361   HD22  LEU  45          1HD2      LEU  45  -3.619  -8.946  12.785
  362   HD23  LEU  45          2HD2      LEU  45  -4.853  -8.718  14.025
  363    H    SER  46           H        SER  46  -2.130  -5.952  10.072
  364    HA   SER  46           HA       SER  46  -2.752  -4.703   7.537
  365    HB2  SER  46           2HB      SER  46  -0.255  -4.419   7.412
  366    HB3  SER  46           1HB      SER  46  -0.992  -3.687   8.840
  367    HG   SER  46           HG       SER  46   0.141  -6.291   8.822
  368    H    VAL  47           H        VAL  47  -3.308  -6.066   5.950
  369    HA   VAL  47           HA       VAL  47  -2.076  -8.688   5.732
  370    HB   VAL  47           HB       VAL  47  -4.149  -7.348   3.978
  371   HG11  VAL  47          1HG1      VAL  47  -4.570  -9.628   3.128
  372   HG12  VAL  47          2HG1      VAL  47  -3.186 -10.206   4.056
  373   HG13  VAL  47          3HG1      VAL  47  -2.948  -9.052   2.744
  374   HG21  VAL  47          3HG2      VAL  47  -5.747  -8.802   5.119
  375   HG22  VAL  47          1HG2      VAL  47  -4.939  -7.721   6.254
  376   HG23  VAL  47          2HG2      VAL  47  -4.455  -9.412   6.151
  377    H    CYS  48           H        CYS  48  -0.351  -9.116   4.449
  378    HA   CYS  48           HA       CYS  48   0.774  -6.885   2.974
  379    HB2  CYS  48           2HB      CYS  48   1.993  -9.614   3.415
  380    HB3  CYS  48           1HB      CYS  48   2.819  -8.132   2.936
  381    H    ALA  49           H        ALA  49  -0.620  -6.813   1.273
  382    HA   ALA  49           HA       ALA  49  -1.318  -9.075  -0.302
  383    HB1  ALA  49           1HB      ALA  49  -2.797  -7.162  -0.114
  384    HB2  ALA  49           2HB      ALA  49  -2.312  -7.363  -1.800
  385    HB3  ALA  49           3HB      ALA  49  -1.567  -6.104  -0.810
  386    H    ASN  50           H        ASN  50  -0.557  -9.729  -2.251
  387    HA   ASN  50           HA       ASN  50   2.191  -9.059  -2.800
  388    HB2  ASN  50           2HB      ASN  50   0.287 -10.933  -4.220
  389    HB3  ASN  50           1HB      ASN  50   1.983 -10.742  -4.634
  390   HD21  ASN  50          1HD2      ASN  50   0.599 -10.864  -1.374
  391   HD22  ASN  50          2HD2      ASN  50   1.335 -12.372  -0.954
  392    HA   PRO  51           HA       PRO  51   1.071  -6.168  -6.039
  393    HB2  PRO  51           2HB      PRO  51   3.644  -5.755  -6.899
  394    HB3  PRO  51           1HB      PRO  51   2.885  -4.865  -5.581
  395    HG2  PRO  51           2HG      PRO  51   4.896  -7.021  -5.496
  396    HG3  PRO  51           1HG      PRO  51   4.577  -5.730  -4.332
  397    HD2  PRO  51           2HD      PRO  51   3.824  -8.402  -4.055
  398    HD3  PRO  51           1HD      PRO  51   3.178  -7.045  -3.112
  399    H    LYS  52           H        LYS  52   1.320  -9.167  -6.278
  400    HA   LYS  52           HA       LYS  52   2.181  -9.399  -9.080
  401    HB2  LYS  52           2HB      LYS  52   2.170 -11.383  -6.809
  402    HB3  LYS  52           1HB      LYS  52   2.374 -11.871  -8.488
  403    HG2  LYS  52           2HG      LYS  52   4.365 -10.382  -8.616
  404    HG3  LYS  52           1HG      LYS  52   4.188 -10.087  -6.886
  405    HD2  LYS  52           2HD      LYS  52   4.366 -12.877  -7.955
  406    HD3  LYS  52           1HD      LYS  52   5.820 -11.921  -7.681
  407    HE2  LYS  52           2HE      LYS  52   3.733 -12.364  -5.561
  408    HE3  LYS  52           1HE      LYS  52   5.104 -13.446  -5.791
  409    HZ1  LYS  52           3HZ      LYS  52   5.791 -11.950  -4.157
  410    HZ2  LYS  52           1HZ      LYS  52   5.145 -10.607  -4.966
  411    HZ3  LYS  52           2HZ      LYS  52   6.522 -11.376  -5.575
  412    H    GLN  53           H        GLN  53  -0.485  -9.508  -6.990
  413    HA   GLN  53           HA       GLN  53  -1.940 -11.405  -8.706
  414    HB2  GLN  53           2HB      GLN  53  -3.451 -11.490  -6.572
  415    HB3  GLN  53           1HB      GLN  53  -1.929 -12.380  -6.606
  416    HG2  GLN  53           2HG      GLN  53  -0.879 -10.359  -5.527
  417    HG3  GLN  53           1HG      GLN  53  -2.510  -9.758  -5.271
  418   HE21  GLN  53          1HE2      GLN  53  -2.279  -9.788  -3.063
  419   HE22  GLN  53          2HE2      GLN  53  -2.263 -11.270  -2.159
  420    H    THR  54           H        THR  54  -4.078 -10.931  -9.317
  421    HA   THR  54           HA       THR  54  -4.310  -8.141  -9.933
  422    HB   THR  54           HB       THR  54  -6.406  -9.066 -11.164
  423    HG1  THR  54           1HG      THR  54  -5.965 -11.322 -11.742
  424   HG21  THR  54          3HG2      THR  54  -4.514  -8.172 -12.320
  425   HG22  THR  54          1HG2      THR  54  -4.909  -9.725 -13.055
  426   HG23  THR  54          2HG2      THR  54  -3.546  -9.599 -11.941
  427    H    TRP  55           H        TRP  55  -5.989 -10.309  -7.727
  428    HA   TRP  55           HA       TRP  55  -8.236  -8.656  -7.329
  429    HB2  TRP  55           2HB      TRP  55  -8.615  -9.778  -5.269
  430    HB3  TRP  55           1HB      TRP  55  -8.054 -10.966  -6.429
  431    HD1  TRP  55           HD       TRP  55  -5.709 -12.039  -5.946
  432    HE1  TRP  55           1HE      TRP  55  -4.251 -12.168  -3.887
  433    HE3  TRP  55           3HE      TRP  55  -7.921  -8.439  -3.379
  434    HZ2  TRP  55           2HZ      TRP  55  -4.063 -10.807  -1.386
  435    HZ3  TRP  55           3HZ      TRP  55  -7.104  -7.870  -1.238
  436    HH2  TRP  55           HH       TRP  55  -5.232  -8.996  -0.195
  437    H    VAL  56           H        VAL  56  -5.006  -8.617  -6.165
  438    HA   VAL  56           HA       VAL  56  -5.255  -6.391  -4.442
  439    HB   VAL  56           HB       VAL  56  -2.922  -7.673  -5.852
  440   HG11  VAL  56          1HG1      VAL  56  -2.420  -5.314  -5.734
  441   HG12  VAL  56          2HG1      VAL  56  -1.444  -6.207  -4.569
  442   HG13  VAL  56          3HG1      VAL  56  -2.845  -5.284  -4.023
  443   HG21  VAL  56          3HG2      VAL  56  -3.730  -7.440  -2.963
  444   HG22  VAL  56          1HG2      VAL  56  -2.269  -8.230  -3.555
  445   HG23  VAL  56          2HG2      VAL  56  -3.853  -8.874  -3.981
  446    H    LYS  57           H        LYS  57  -4.280  -6.772  -7.849
  447    HA   LYS  57           HA       LYS  57  -3.701  -4.121  -8.424
  448    HB2  LYS  57           2HB      LYS  57  -4.928  -6.172 -10.257
  449    HB3  LYS  57           1HB      LYS  57  -4.190  -4.667 -10.774
  450    HG2  LYS  57           2HG      LYS  57  -2.963  -7.204 -10.026
  451    HG3  LYS  57           1HG      LYS  57  -2.365  -5.913 -11.060
  452    HD2  LYS  57           2HD      LYS  57  -1.781  -4.627  -9.021
  453    HD3  LYS  57           1HD      LYS  57  -2.258  -6.042  -8.073
  454    HE2  LYS  57           2HE      LYS  57   0.117  -6.092  -8.331
  455    HE3  LYS  57           1HE      LYS  57  -0.563  -7.369  -9.337
  456    HZ1  LYS  57           3HZ      LYS  57   1.124  -6.212 -10.562
  457    HZ2  LYS  57           1HZ      LYS  57   0.408  -4.708 -10.247
  458    HZ3  LYS  57           2HZ      LYS  57  -0.373  -5.828 -11.246
  459    H    TYR  58           H        TYR  58  -6.807  -5.798  -8.408
  460    HA   TYR  58           HA       TYR  58  -8.340  -3.669  -9.419
  461    HB2  TYR  58           2HB      TYR  58  -9.466  -5.693  -9.477
  462    HB3  TYR  58           1HB      TYR  58  -8.925  -6.161  -7.868
  463    HD1  TYR  58           1HD      TYR  58 -10.860  -3.262  -9.259
  464    HD2  TYR  58           2HD      TYR  58 -10.662  -6.416  -6.415
  465    HE1  TYR  58           1HE      TYR  58 -13.003  -2.533  -8.315
  466    HE2  TYR  58           2HE      TYR  58 -12.806  -5.703  -5.463
  467    HH   TYR  58           HH       TYR  58 -14.898  -3.612  -7.002
  468    H    ILE  59           H        ILE  59  -7.753  -4.733  -6.067
  469    HA   ILE  59           HA       ILE  59  -9.274  -2.698  -4.877
  470    HB   ILE  59           HB       ILE  59  -6.989  -4.268  -3.680
  471   HG12  ILE  59          2HG1      ILE  59  -9.979  -4.710  -3.503
  472   HG13  ILE  59          1HG1      ILE  59  -8.898  -5.624  -4.541
  473   HG21  ILE  59          1HG2      ILE  59  -9.183  -2.676  -2.358
  474   HG22  ILE  59          2HG2      ILE  59  -7.475  -2.233  -2.415
  475   HG23  ILE  59          3HG2      ILE  59  -7.986  -3.668  -1.526
  476   HD11  ILE  59          3HD1      ILE  59  -9.461  -6.825  -2.499
  477   HD12  ILE  59          1HD1      ILE  59  -8.752  -5.526  -1.543
  478   HD13  ILE  59          2HD1      ILE  59  -7.734  -6.496  -2.612
  479    H    VAL  60           H        VAL  60  -5.763  -2.917  -5.526
  480    HA   VAL  60           HA       VAL  60  -5.220  -0.362  -4.386
  481    HB   VAL  60           HB       VAL  60  -3.442  -2.080  -4.630
  482   HG11  VAL  60          1HG1      VAL  60  -4.011  -2.932  -6.833
  483   HG12  VAL  60          2HG1      VAL  60  -2.336  -2.374  -6.798
  484   HG13  VAL  60          3HG1      VAL  60  -3.581  -1.385  -7.564
  485   HG21  VAL  60          3HG2      VAL  60  -2.862   0.259  -4.289
  486   HG22  VAL  60          1HG2      VAL  60  -2.854   0.524  -6.032
  487   HG23  VAL  60          2HG2      VAL  60  -1.666  -0.555  -5.301
  488    H    ARG  61           H        ARG  61  -6.322  -1.388  -7.541
  489    HA   ARG  61           HA       ARG  61  -5.681   0.957  -8.979
  490    HB2  ARG  61           2HB      ARG  61  -6.456  -1.166 -10.020
  491    HB3  ARG  61           1HB      ARG  61  -8.065  -0.863  -9.382
  492    HG2  ARG  61           2HG      ARG  61  -8.266   1.125 -10.734
  493    HG3  ARG  61           1HG      ARG  61  -6.612   0.919 -11.318
  494    HD2  ARG  61           2HD      ARG  61  -8.227   0.114 -12.960
  495    HD3  ARG  61           1HD      ARG  61  -7.228  -1.202 -12.348
  496    HE   ARG  61           HE       ARG  61  -9.863  -0.768 -11.147
  497   HH11  ARG  61          1HH1      ARG  61  -7.764  -2.728 -13.161
  498   HH12  ARG  61          2HH1      ARG  61  -8.850  -4.085 -13.180
  499   HH21  ARG  61          1HH2      ARG  61 -11.290  -2.547 -11.181
  500   HH22  ARG  61          2HH2      ARG  61 -10.857  -3.979 -12.063
  501    H    LEU  62           H        LEU  62  -8.340   0.104  -6.866
  502    HA   LEU  62           HA       LEU  62  -9.728   2.603  -7.320
  503    HB2  LEU  62           2HB      LEU  62 -10.191   0.328  -5.398
  504    HB3  LEU  62           1HB      LEU  62 -11.184   1.772  -5.429
  505    HG   LEU  62           HG       LEU  62 -10.866  -0.220  -7.673
  506   HD11  LEU  62          1HD1      LEU  62 -12.213  -1.015  -5.788
  507   HD12  LEU  62          2HD1      LEU  62 -13.186  -0.757  -7.236
  508   HD13  LEU  62          3HD1      LEU  62 -13.232   0.420  -5.921
  509   HD21  LEU  62          3HD2      LEU  62 -12.594   1.074  -8.812
  510   HD22  LEU  62          1HD2      LEU  62 -11.151   2.047  -8.531
  511   HD23  LEU  62          2HD2      LEU  62 -12.573   2.261  -7.509
  512    H    LEU  63           H        LEU  63  -7.355   1.340  -5.161
  513    HA   LEU  63           HA       LEU  63  -7.815   3.342  -3.126
  514    HB2  LEU  63           2HB      LEU  63  -5.877   1.071  -3.376
  515    HB3  LEU  63           1HB      LEU  63  -5.799   2.234  -2.061
  516    HG   LEU  63           HG       LEU  63  -8.207   0.519  -2.685
  517   HD11  LEU  63          1HD1      LEU  63  -6.105   0.211  -0.552
  518   HD12  LEU  63          2HD1      LEU  63  -6.374  -0.865  -1.924
  519   HD13  LEU  63          3HD1      LEU  63  -7.597  -0.725  -0.660
  520   HD21  LEU  63          3HD2      LEU  63  -8.738   2.649  -1.609
  521   HD22  LEU  63          1HD2      LEU  63  -7.581   2.289  -0.327
  522   HD23  LEU  63          2HD2      LEU  63  -9.019   1.287  -0.524
  523    H    SER  64           H        SER  64  -5.550   2.753  -5.720
  524    HA   SER  64           HA       SER  64  -3.749   4.855  -4.937
  525    HB2  SER  64           2HB      SER  64  -3.039   2.832  -6.245
  526    HB3  SER  64           1HB      SER  64  -3.989   3.428  -7.600
  527    HG   SER  64           HG       SER  64  -2.642   5.232  -7.713
  528    H    LYS  65           H        LYS  65  -6.506   4.456  -7.052
  529    HA   LYS  65           HA       LYS  65  -6.404   7.332  -7.656
  530    HB2  LYS  65           2HB      LYS  65  -5.733   6.059  -9.643
  531    HB3  LYS  65           1HB      LYS  65  -7.205   5.107  -9.541
  532    HG2  LYS  65           2HG      LYS  65  -8.483   7.258  -9.835
  533    HG3  LYS  65           1HG      LYS  65  -6.939   8.022 -10.212
  534    HD2  LYS  65           2HD      LYS  65  -7.879   7.460 -12.296
  535    HD3  LYS  65           1HD      LYS  65  -6.654   6.229 -11.989
  536    HE2  LYS  65           2HE      LYS  65  -9.594   5.886 -11.415
  537    HE3  LYS  65           1HE      LYS  65  -8.812   5.349 -12.897
  538    HZ1  LYS  65           3HZ      LYS  65  -9.005   3.512 -11.390
  539    HZ2  LYS  65           1HZ      LYS  65  -8.247   4.378 -10.147
  540    HZ3  LYS  65           2HZ      LYS  65  -7.362   3.925 -11.519
  541    H    LYS  66           H        LYS  66  -7.859   7.674  -5.930
  542    HA   LYS  66           HA       LYS  66 -10.525   6.521  -6.229
  543    HB2  LYS  66           2HB      LYS  66  -9.392   6.587  -3.974
  544    HB3  LYS  66           1HB      LYS  66  -9.532   8.337  -4.027
  545    HG2  LYS  66           2HG      LYS  66 -11.306   7.357  -2.691
  546    HG3  LYS  66           1HG      LYS  66 -11.965   8.147  -4.127
  547    HD2  LYS  66           2HD      LYS  66 -12.200   6.013  -5.239
  548    HD3  LYS  66           1HD      LYS  66 -11.408   5.191  -3.897
  549    HE2  LYS  66           2HE      LYS  66 -13.772   4.852  -3.718
  550    HE3  LYS  66           1HE      LYS  66 -13.248   5.925  -2.420
  551    HZ1  LYS  66           3HZ      LYS  66 -15.326   6.619  -3.504
  552    HZ2  LYS  66           1HZ      LYS  66 -14.497   6.840  -4.962
  553    HZ3  LYS  66           2HZ      LYS  66 -14.121   7.801  -3.609
  554    H    VAL  67           H        VAL  67 -11.803   7.573  -7.605
  555    HA   VAL  67           HA       VAL  67 -11.290  10.396  -8.084
  556    HB   VAL  67           HB       VAL  67 -12.828  10.123 -10.042
  557   HG11  VAL  67          1HG1      VAL  67 -11.242   8.797 -11.386
  558   HG12  VAL  67          2HG1      VAL  67 -10.455   8.268  -9.899
  559   HG13  VAL  67          3HG1      VAL  67 -10.433   9.974 -10.348
  560   HG21  VAL  67          3HG2      VAL  67 -12.724   7.202  -9.295
  561   HG22  VAL  67          1HG2      VAL  67 -13.418   7.868 -10.773
  562   HG23  VAL  67          2HG2      VAL  67 -14.150   8.239  -9.213
  563    H    LYS  68           H        LYS  68 -12.462  11.928  -7.216
  564    HA   LYS  68           HA       LYS  68 -15.201  11.320  -6.340
  565    HB2  LYS  68           2HB      LYS  68 -13.596  12.214  -4.635
  566    HB3  LYS  68           1HB      LYS  68 -13.456  13.678  -5.591
  567    HG2  LYS  68           2HG      LYS  68 -14.936  14.158  -3.828
  568    HG3  LYS  68           1HG      LYS  68 -15.925  14.008  -5.278
  569    HD2  LYS  68           2HD      LYS  68 -15.513  11.733  -3.344
  570    HD3  LYS  68           1HD      LYS  68 -16.809  12.915  -3.160
  571    HE2  LYS  68           2HE      LYS  68 -16.387  11.150  -5.574
  572    HE3  LYS  68           1HE      LYS  68 -17.551  10.852  -4.283
  573    HZ1  LYS  68           3HZ      LYS  68 -18.465  11.939  -6.320
  574    HZ2  LYS  68           1HZ      LYS  68 -17.561  13.319  -5.937
  575    HZ3  LYS  68           2HZ      LYS  68 -18.770  12.775  -4.877
  576    H    ASN  69           H        ASN  69 -13.626  12.365  -8.914
  577    HA   ASN  69           HA       ASN  69 -15.587  14.435  -9.644
  578    HB2  ASN  69           2HB      ASN  69 -13.416  15.455  -9.541
  579    HB3  ASN  69           1HB      ASN  69 -12.679  14.116 -10.414
  580   HD21  ASN  69          1HD2      ASN  69 -12.911  13.987 -12.642
  581   HD22  ASN  69          2HD2      ASN  69 -13.470  15.322 -13.592
  582    H    MET  70           H        MET  70 -16.506  14.302 -11.702
  583    HA   MET  70           HA       MET  70 -16.180  11.699 -13.011
  584    HB2  MET  70           2HB      MET  70 -18.414  13.723 -13.112
  585    HB3  MET  70           1HB      MET  70 -18.337  12.325 -14.175
  586    HG2  MET  70           2HG      MET  70 -18.340  10.853 -12.221
  587    HG3  MET  70           1HG      MET  70 -18.463  12.265 -11.173
  588    HE1  MET  70           3HE      MET  70 -20.219  11.869 -14.661
  589    HE2  MET  70           1HE      MET  70 -21.742  11.100 -14.210
  590    HE3  MET  70           2HE      MET  70 -20.221  10.219 -14.041
  Start of MODEL   13
    1    H1   ALA   1           1HT      ALA   1  16.652   7.486   4.475
    2    H2   ALA   1           2HT      ALA   1  18.301   7.583   4.856
    3    H3   ALA   1           3HT      ALA   1  17.294   6.548   5.732
    4    HA   ALA   1           HA       ALA   1  18.038   6.296   2.880
    5    HB1  ALA   1           1HB      ALA   1  18.695   4.547   5.248
    6    HB2  ALA   1           2HB      ALA   1  19.810   5.648   4.433
    7    HB3  ALA   1           3HB      ALA   1  19.159   4.251   3.572
    8    H    SER   2           H        SER   2  16.116   5.052   5.586
    9    HA   SER   2           HA       SER   2  14.370   3.769   3.597
   10    HB2  SER   2           2HB      SER   2  14.936   2.673   6.363
   11    HB3  SER   2           1HB      SER   2  13.990   1.907   5.085
   12    HG   SER   2           HG       SER   2  16.344   2.450   4.044
   13    H    ASN   3           H        ASN   3  12.470   4.756   3.579
   14    HA   ASN   3           HA       ASN   3  11.651   6.495   5.704
   15    HB2  ASN   3           2HB      ASN   3  10.072   5.560   3.294
   16    HB3  ASN   3           1HB      ASN   3   9.664   6.917   4.338
   17   HD21  ASN   3          1HD2      ASN   3  10.096   6.919   1.497
   18   HD22  ASN   3          2HD2      ASN   3  11.410   8.002   1.192
   19    H    PHE   4           H        PHE   4  10.537   3.402   4.417
   20    HA   PHE   4           HA       PHE   4   9.303   2.874   7.025
   21    HB2  PHE   4           2HB      PHE   4   7.536   1.546   5.813
   22    HB3  PHE   4           1HB      PHE   4   7.428   3.276   5.618
   23    HD1  PHE   4           1HD      PHE   4   9.281   0.541   3.885
   24    HD2  PHE   4           2HD      PHE   4   6.675   3.891   3.554
   25    HE1  PHE   4           1HE      PHE   4   9.198   0.232   1.454
   26    HE2  PHE   4           2HE      PHE   4   6.595   3.586   1.111
   27    HZ   PHE   4           HZ       PHE   4   7.854   1.743   0.076
   28    H    ASP   5           H        ASP   5   8.563   0.329   6.747
   29    HA   ASP   5           HA       ASP   5  10.983  -1.093   5.907
   30    HB2  ASP   5           2HB      ASP   5  11.167  -0.749   8.271
   31    HB3  ASP   5           1HB      ASP   5   9.523  -1.313   8.536
   32    H    CYS   6           H        CYS   6  10.174  -2.119   4.181
   33    HA   CYS   6           HA       CYS   6   8.028  -3.392   3.451
   34    HB2  CYS   6           2HB      CYS   6   9.425  -5.212   2.550
   35    HB3  CYS   6           1HB      CYS   6  10.156  -3.627   2.308
   36    H    CYS   7           H        CYS   7   6.752  -5.104   3.924
   37    HA   CYS   7           HA       CYS   7   6.990  -6.483   6.414
   38    HB2  CYS   7           2HB      CYS   7   4.803  -6.053   5.309
   39    HB3  CYS   7           1HB      CYS   7   5.269  -7.155   4.018
   40    H    LEU   8           H        LEU   8   8.056  -8.355   6.834
   41    HA   LEU   8           HA       LEU   8   9.794  -9.343   4.742
   42    HB2  LEU   8           2HB      LEU   8   9.510 -10.138   7.636
   43    HB3  LEU   8           1HB      LEU   8  10.761 -10.727   6.554
   44    HG   LEU   8           HG       LEU   8  10.384  -7.858   7.418
   45   HD11  LEU   8          1HD1      LEU   8  12.489  -8.191   8.620
   46   HD12  LEU   8          2HD1      LEU   8  12.473  -9.897   8.171
   47   HD13  LEU   8          3HD1      LEU   8  11.212  -9.244   9.221
   48   HD21  LEU   8          3HD2      LEU   8  11.292  -7.932   5.189
   49   HD22  LEU   8          1HD2      LEU   8  12.486  -9.137   5.675
   50   HD23  LEU   8          2HD2      LEU   8  12.567  -7.501   6.328
   51    H    GLY   9           H        GLY   9   7.224  -9.866   4.067
   52    HA2  GLY   9           2HA      GLY   9   7.187 -12.490   3.305
   53    HA3  GLY   9           1HA      GLY   9   6.360 -12.471   4.861
   54    H    TYR  10           H        TYR  10   5.142 -13.131   2.356
   55    HA   TYR  10           HA       TYR  10   3.217 -10.907   2.190
   56    HB2  TYR  10           2HB      TYR  10   3.971 -12.781  -0.055
   57    HB3  TYR  10           1HB      TYR  10   2.787 -11.498  -0.140
   58    HD1  TYR  10           2HD      TYR  10   6.396 -12.071   0.500
   59    HD2  TYR  10           1HD      TYR  10   3.400  -9.391  -0.902
   60    HE1  TYR  10           2HE      TYR  10   8.154 -10.525  -0.256
   61    HE2  TYR  10           1HE      TYR  10   5.152  -7.835  -1.657
   62    HH   TYR  10           HH       TYR  10   7.390  -7.308  -1.378
   63    H    THR  11           H        THR  11   1.053 -11.560   1.566
   64    HA   THR  11           HA       THR  11   0.292 -14.026   2.890
   65    HB   THR  11           HB       THR  11  -0.862 -11.802   3.266
   66    HG1  THR  11           1HG      THR  11  -1.833 -13.914   3.736
   67   HG21  THR  11          3HG2      THR  11  -2.042 -12.385   0.547
   68   HG22  THR  11          1HG2      THR  11  -0.961 -11.049   0.942
   69   HG23  THR  11          2HG2      THR  11  -2.573 -11.120   1.652
   70    H    ASP  12           H        ASP  12  -1.846 -14.965   1.676
   71    HA   ASP  12           HA       ASP  12  -1.439 -15.103  -1.203
   72    HB2  ASP  12           2HB      ASP  12  -1.600 -17.605  -1.170
   73    HB3  ASP  12           1HB      ASP  12  -0.114 -16.977  -0.471
   74    H    ARG  13           H        ARG  13  -3.368 -13.887   0.518
   75    HA   ARG  13           HA       ARG  13  -5.789 -15.482   0.359
   76    HB2  ARG  13           2HB      ARG  13  -5.304 -12.640   1.254
   77    HB3  ARG  13           1HB      ARG  13  -6.856 -13.453   1.322
   78    HG2  ARG  13           2HG      ARG  13  -4.400 -14.386   2.796
   79    HG3  ARG  13           1HG      ARG  13  -5.656 -13.362   3.493
   80    HD2  ARG  13           2HD      ARG  13  -7.283 -15.218   2.798
   81    HD3  ARG  13           1HD      ARG  13  -5.845 -16.219   2.593
   82    HE   ARG  13           HE       ARG  13  -5.939 -14.921   5.147
   83   HH11  ARG  13          1HH1      ARG  13  -7.086 -17.670   3.326
   84   HH12  ARG  13          2HH1      ARG  13  -7.383 -18.644   4.731
   85   HH21  ARG  13          1HH2      ARG  13  -6.337 -16.189   7.013
   86   HH22  ARG  13          2HH2      ARG  13  -6.966 -17.805   6.830
   87    H    ILE  14           H        ILE  14  -7.776 -14.130  -0.332
   88    HA   ILE  14           HA       ILE  14  -7.175 -12.344  -2.598
   89    HB   ILE  14           HB       ILE  14  -9.612 -14.120  -2.306
   90   HG12  ILE  14          2HG1      ILE  14  -7.424 -15.229  -2.992
   91   HG13  ILE  14          1HG1      ILE  14  -8.780 -15.427  -4.097
   92   HG21  ILE  14          1HG2      ILE  14 -10.155 -11.990  -3.359
   93   HG22  ILE  14          2HG2      ILE  14 -10.237 -13.305  -4.531
   94   HG23  ILE  14          3HG2      ILE  14  -8.846 -12.222  -4.517
   95   HD11  ILE  14          3HD1      ILE  14  -6.532 -13.458  -4.397
   96   HD12  ILE  14          1HD1      ILE  14  -7.887 -13.665  -5.509
   97   HD13  ILE  14          2HD1      ILE  14  -6.721 -14.972  -5.287
   98    H    LEU  15           H        LEU  15  -7.070 -10.698  -0.943
   99    HA   LEU  15           HA       LEU  15  -9.349 -10.142   0.713
  100    HB2  LEU  15           2HB      LEU  15  -6.825  -8.593   0.078
  101    HB3  LEU  15           1HB      LEU  15  -8.104  -7.935   1.101
  102    HG   LEU  15           HG       LEU  15  -6.598  -8.746   2.647
  103   HD11  LEU  15          1HD1      LEU  15  -8.451 -11.062   2.154
  104   HD12  LEU  15          2HD1      LEU  15  -8.768  -9.651   3.162
  105   HD13  LEU  15          3HD1      LEU  15  -7.512 -10.800   3.622
  106   HD21  LEU  15          3HD2      LEU  15  -5.443 -10.942   2.423
  107   HD22  LEU  15          1HD2      LEU  15  -5.021  -9.757   1.185
  108   HD23  LEU  15          2HD2      LEU  15  -6.130 -11.071   0.801
  109    H    HIS  16           H        HIS  16 -10.664  -8.242   0.574
  110    HA   HIS  16           HA       HIS  16 -10.788  -7.061  -2.119
  111    HB2  HIS  16           2HB      HIS  16 -13.158  -8.043  -0.523
  112    HB3  HIS  16           1HB      HIS  16 -13.243  -7.176  -2.049
  113    HD1  HIS  16           1HD      HIS  16 -14.463  -9.951  -1.638
  114    HD2  HIS  16           2HD      HIS  16 -10.695  -9.252  -3.222
  115    HE1  HIS  16           1HE      HIS  16 -13.903 -11.977  -2.936
  116    HE2  HIS  16           2HE      HIS  16 -11.809 -11.394  -4.192
  117    HA   PRO  17           HA       PRO  17 -11.840  -3.179  -0.041
  118    HB2  PRO  17           2HB      PRO  17 -14.287  -2.596  -1.228
  119    HB3  PRO  17           1HB      PRO  17 -12.715  -2.133  -1.886
  120    HG2  PRO  17           2HG      PRO  17 -14.483  -4.422  -2.622
  121    HG3  PRO  17           1HG      PRO  17 -13.463  -3.411  -3.661
  122    HD2  PRO  17           2HD      PRO  17 -12.733  -5.915  -2.943
  123    HD3  PRO  17           1HD      PRO  17 -11.540  -4.602  -3.146
  124    H    LYS  18           H        LYS  18 -14.006  -5.797  -0.487
  125    HA   LYS  18           HA       LYS  18 -16.037  -5.588   1.302
  126    HB2  LYS  18           2HB      LYS  18 -14.266  -7.968   0.705
  127    HB3  LYS  18           1HB      LYS  18 -15.829  -8.090   1.488
  128    HG2  LYS  18           2HG      LYS  18 -15.965  -6.622  -1.004
  129    HG3  LYS  18           1HG      LYS  18 -15.328  -8.254  -1.208
  130    HD2  LYS  18           2HD      LYS  18 -17.858  -7.626   0.298
  131    HD3  LYS  18           1HD      LYS  18 -17.813  -8.049  -1.416
  132    HE2  LYS  18           2HE      LYS  18 -16.623 -10.157  -0.768
  133    HE3  LYS  18           1HE      LYS  18 -16.947  -9.747   0.917
  134    HZ1  LYS  18           3HZ      LYS  18 -19.276  -9.896   0.541
  135    HZ2  LYS  18           1HZ      LYS  18 -18.583 -11.295  -0.118
  136    HZ3  LYS  18           2HZ      LYS  18 -19.073 -10.027  -1.136
  137    H    PHE  19           H        PHE  19 -12.622  -6.144   2.030
  138    HA   PHE  19           HA       PHE  19 -13.312  -6.232   4.899
  139    HB2  PHE  19           2HB      PHE  19 -10.981  -7.702   3.667
  140    HB3  PHE  19           1HB      PHE  19 -11.616  -7.868   5.298
  141    HD1  PHE  19           2HD      PHE  19 -13.950  -8.844   5.574
  142    HD2  PHE  19           1HD      PHE  19 -11.750  -9.063   1.936
  143    HE1  PHE  19           2HE      PHE  19 -15.391 -10.690   4.817
  144    HE2  PHE  19           1HE      PHE  19 -13.189 -10.908   1.172
  145    HZ   PHE  19           HZ       PHE  19 -15.013 -11.723   2.614
  146    H    ILE  20           H        ILE  20 -11.935  -4.386   2.609
  147    HA   ILE  20           HA       ILE  20  -9.556  -3.651   4.153
  148    HB   ILE  20           HB       ILE  20 -10.322  -3.410   1.296
  149   HG12  ILE  20          2HG1      ILE  20  -8.039  -3.994   0.899
  150   HG13  ILE  20          1HG1      ILE  20  -7.580  -3.615   2.550
  151   HG21  ILE  20          1HG2      ILE  20  -8.560  -1.342   2.600
  152   HG22  ILE  20          2HG2      ILE  20 -10.124  -1.057   1.836
  153   HG23  ILE  20          3HG2      ILE  20  -8.747  -1.577   0.862
  154   HD11  ILE  20          3HD1      ILE  20  -9.224  -5.938   1.587
  155   HD12  ILE  20          1HD1      ILE  20  -9.016  -5.524   3.290
  156   HD13  ILE  20          2HD1      ILE  20  -7.619  -5.976   2.315
  157    H    VAL  21           H        VAL  21  -9.545  -1.930   5.424
  158    HA   VAL  21           HA       VAL  21 -11.488   0.218   4.874
  159    HB   VAL  21           HB       VAL  21 -11.413   0.821   7.258
  160   HG11  VAL  21          1HG1      VAL  21 -12.123  -2.081   6.857
  161   HG12  VAL  21          2HG1      VAL  21 -13.142  -0.713   6.410
  162   HG13  VAL  21          3HG1      VAL  21 -12.754  -1.004   8.106
  163   HG21  VAL  21          3HG2      VAL  21  -9.769  -1.687   7.599
  164   HG22  VAL  21          1HG2      VAL  21 -10.380  -0.659   8.898
  165   HG23  VAL  21          2HG2      VAL  21  -9.172  -0.035   7.772
  166    H    GLY  22           H        GLY  22  -8.295  -0.658   4.803
  167    HA2  GLY  22           2HA      GLY  22  -7.495   2.077   4.337
  168    HA3  GLY  22           1HA      GLY  22  -6.713   1.312   5.717
  169    H    PHE  23           H        PHE  23  -5.500   2.250   3.269
  170    HA   PHE  23           HA       PHE  23  -4.088  -0.224   2.529
  171    HB2  PHE  23           2HB      PHE  23  -5.379  -0.240   0.691
  172    HB3  PHE  23           1HB      PHE  23  -5.786   1.469   0.811
  173    HD1  PHE  23           1HD      PHE  23  -3.147  -0.897  -0.185
  174    HD2  PHE  23           2HD      PHE  23  -4.690   3.047  -0.407
  175    HE1  PHE  23           1HE      PHE  23  -1.523  -0.371  -1.949
  176    HE2  PHE  23           2HE      PHE  23  -3.078   3.583  -2.184
  177    HZ   PHE  23           HZ       PHE  23  -1.503   1.852  -2.925
  178    H    THR  24           H        THR  24  -1.993   0.048   2.485
  179    HA   THR  24           HA       THR  24  -0.885   2.731   2.046
  180    HB   THR  24           HB       THR  24   0.157   0.764   4.099
  181    HG1  THR  24           1HG      THR  24  -1.253   3.230   4.402
  182   HG21  THR  24          3HG2      THR  24   1.644   2.613   4.758
  183   HG22  THR  24          1HG2      THR  24   1.022   3.579   3.420
  184   HG23  THR  24          2HG2      THR  24   1.933   2.103   3.093
  185    H    ARG  25           H        ARG  25   0.476   2.680   0.350
  186    HA   ARG  25           HA       ARG  25   1.281   0.087  -0.665
  187    HB2  ARG  25           2HB      ARG  25   2.047   1.323  -2.645
  188    HB3  ARG  25           1HB      ARG  25   0.369   1.676  -2.250
  189    HG2  ARG  25           2HG      ARG  25   1.255   3.736  -1.040
  190    HG3  ARG  25           1HG      ARG  25   2.785   3.420  -1.859
  191    HD2  ARG  25           2HD      ARG  25   0.111   3.997  -3.125
  192    HD3  ARG  25           1HD      ARG  25   1.536   5.034  -3.129
  193    HE   ARG  25           HE       ARG  25   1.723   2.408  -4.395
  194   HH11  ARG  25          1HH1      ARG  25   1.605   5.885  -4.663
  195   HH12  ARG  25          2HH1      ARG  25   2.062   5.916  -6.339
  196   HH21  ARG  25          1HH2      ARG  25   2.351   2.428  -6.615
  197   HH22  ARG  25          2HH2      ARG  25   2.520   3.944  -7.443
  198    H    GLN  26           H        GLN  26   3.054  -0.806   0.084
  199    HA   GLN  26           HA       GLN  26   5.314   0.881   0.843
  200    HB2  GLN  26           2HB      GLN  26   4.561  -0.544   2.567
  201    HB3  GLN  26           1HB      GLN  26   4.423  -1.914   1.485
  202    HG2  GLN  26           2HG      GLN  26   6.930  -1.827   1.288
  203    HG3  GLN  26           1HG      GLN  26   6.891  -0.689   2.644
  204   HE21  GLN  26          1HE2      GLN  26   6.003  -1.389   4.637
  205   HE22  GLN  26          2HE2      GLN  26   5.926  -3.066   5.020
  206    H    LEU  27           H        LEU  27   7.062   0.940  -0.418
  207    HA   LEU  27           HA       LEU  27   7.042  -0.793  -2.786
  208    HB2  LEU  27           2HB      LEU  27   8.021   2.047  -2.461
  209    HB3  LEU  27           1HB      LEU  27   8.335   1.072  -3.881
  210    HG   LEU  27           HG       LEU  27   5.780   0.869  -4.076
  211   HD11  LEU  27          1HD1      LEU  27   5.966   3.248  -2.240
  212   HD12  LEU  27          2HD1      LEU  27   5.185   1.705  -1.885
  213   HD13  LEU  27          3HD1      LEU  27   4.531   2.758  -3.141
  214   HD21  LEU  27          3HD2      LEU  27   7.146   3.516  -4.523
  215   HD22  LEU  27          1HD2      LEU  27   5.644   2.992  -5.283
  216   HD23  LEU  27          2HD2      LEU  27   7.149   2.137  -5.623
  217    H    ALA  28           H        ALA  28   9.353  -0.589  -3.863
  218    HA   ALA  28           HA       ALA  28  11.251  -1.575  -1.833
  219    HB1  ALA  28           1HB      ALA  28  10.504  -3.308  -3.350
  220    HB2  ALA  28           2HB      ALA  28  12.200  -2.936  -3.659
  221    HB3  ALA  28           3HB      ALA  28  10.951  -2.322  -4.746
  222    H    ASN  29           H        ASN  29  10.880   1.201  -2.766
  223    HA   ASN  29           HA       ASN  29  13.557   1.675  -3.882
  224    HB2  ASN  29           2HB      ASN  29  11.210   3.429  -4.581
  225    HB3  ASN  29           1HB      ASN  29  12.749   3.249  -5.424
  226   HD21  ASN  29          1HD2      ASN  29  13.102   1.359  -6.660
  227   HD22  ASN  29          2HD2      ASN  29  11.774   0.437  -7.256
  228    H    GLU  30           H        GLU  30  11.319   2.262  -1.465
  229    HA   GLU  30           HA       GLU  30  12.589   4.817  -0.751
  230    HB2  GLU  30           2HB      GLU  30   9.811   3.879  -0.032
  231    HB3  GLU  30           1HB      GLU  30  10.517   5.440   0.370
  232    HG2  GLU  30           2HG      GLU  30  10.753   5.859  -2.098
  233    HG3  GLU  30           1HG      GLU  30   9.810   4.392  -2.356
  234    H    GLY  31           H        GLY  31  13.308   1.999  -0.070
  235    HA2  GLY  31           2HA      GLY  31  14.461   2.406   2.365
  236    HA3  GLY  31           1HA      GLY  31  12.873   1.750   2.751
  237    H    CYS  32           H        CYS  32  12.420  -0.358   2.324
  238    HA   CYS  32           HA       CYS  32  14.523  -2.207   2.095
  239    HB2  CYS  32           2HB      CYS  32  11.547  -2.385   1.896
  240    HB3  CYS  32           1HB      CYS  32  12.544  -3.779   1.510
  241    H    ASP  33           H        ASP  33  14.562  -3.954   0.415
  242    HA   ASP  33           HA       ASP  33  14.408  -2.799  -2.276
  243    HB2  ASP  33           2HB      ASP  33  15.866  -4.645  -2.960
  244    HB3  ASP  33           1HB      ASP  33  16.566  -3.786  -1.590
  245    H    ILE  34           H        ILE  34  12.625  -4.720  -0.222
  246    HA   ILE  34           HA       ILE  34  11.256  -6.019  -2.470
  247    HB   ILE  34           HB       ILE  34  10.612  -7.767  -1.151
  248   HG12  ILE  34          2HG1      ILE  34  10.781  -6.068   1.359
  249   HG13  ILE  34          1HG1      ILE  34   9.306  -6.334   0.432
  250   HG21  ILE  34          1HG2      ILE  34  12.975  -6.774   0.434
  251   HG22  ILE  34          2HG2      ILE  34  13.057  -7.680  -1.077
  252   HG23  ILE  34          3HG2      ILE  34  12.385  -8.435   0.368
  253   HD11  ILE  34          3HD1      ILE  34  10.930  -8.444   1.836
  254   HD12  ILE  34          1HD1      ILE  34   9.470  -8.733   0.890
  255   HD13  ILE  34          2HD1      ILE  34   9.388  -7.778   2.371
  256    H    ASN  35           H        ASN  35   8.891  -5.953  -2.454
  257    HA   ASN  35           HA       ASN  35   7.892  -3.473  -1.211
  258    HB2  ASN  35           2HB      ASN  35   6.649  -3.058  -3.370
  259    HB3  ASN  35           1HB      ASN  35   8.397  -2.897  -3.484
  260   HD21  ASN  35          1HD2      ASN  35   9.580  -4.476  -4.614
  261   HD22  ASN  35          2HD2      ASN  35   8.821  -5.569  -5.713
  262    H    ALA  36           H        ALA  36   5.988  -3.692  -0.158
  263    HA   ALA  36           HA       ALA  36   4.162  -5.826  -1.051
  264    HB1  ALA  36           1HB      ALA  36   5.340  -6.661   0.905
  265    HB2  ALA  36           2HB      ALA  36   3.638  -6.381   1.282
  266    HB3  ALA  36           3HB      ALA  36   4.863  -5.233   1.823
  267    H    ILE  37           H        ILE  37   2.191  -5.058  -1.483
  268    HA   ILE  37           HA       ILE  37   1.226  -2.504  -0.711
  269    HB   ILE  37           HB       ILE  37  -0.271  -4.932  -1.717
  270   HG12  ILE  37          2HG1      ILE  37   1.396  -4.169  -3.314
  271   HG13  ILE  37          1HG1      ILE  37  -0.216  -3.770  -3.898
  272   HG21  ILE  37          1HG2      ILE  37  -1.795  -3.434  -0.600
  273   HG22  ILE  37          2HG2      ILE  37  -2.043  -3.334  -2.344
  274   HG23  ILE  37          3HG2      ILE  37  -1.159  -2.061  -1.503
  275   HD11  ILE  37          3HD1      ILE  37   1.327  -1.956  -4.309
  276   HD12  ILE  37          1HD1      ILE  37   1.715  -1.872  -2.590
  277   HD13  ILE  37          2HD1      ILE  37   0.093  -1.464  -3.148
  278    H    ILE  38           H        ILE  38   0.564  -1.967   1.316
  279    HA   ILE  38           HA       ILE  38  -0.147  -4.114   3.169
  280    HB   ILE  38           HB       ILE  38   0.213  -1.172   3.756
  281   HG12  ILE  38          2HG1      ILE  38   2.177  -3.420   4.235
  282   HG13  ILE  38          1HG1      ILE  38   2.277  -2.312   2.870
  283   HG21  ILE  38          1HG2      ILE  38   0.126  -3.577   5.575
  284   HG22  ILE  38          2HG2      ILE  38  -1.145  -2.369   5.398
  285   HG23  ILE  38          3HG2      ILE  38   0.415  -1.913   6.082
  286   HD11  ILE  38          3HD1      ILE  38   3.788  -1.667   4.670
  287   HD12  ILE  38          1HD1      ILE  38   2.425  -1.542   5.781
  288   HD13  ILE  38          2HD1      ILE  38   2.549  -0.439   4.409
  289    H    PHE  39           H        PHE  39  -2.249  -4.687   2.898
  290    HA   PHE  39           HA       PHE  39  -4.272  -2.579   2.815
  291    HB2  PHE  39           2HB      PHE  39  -4.432  -5.568   2.481
  292    HB3  PHE  39           1HB      PHE  39  -5.870  -4.574   2.691
  293    HD1  PHE  39           1HD      PHE  39  -5.070  -2.190   1.052
  294    HD2  PHE  39           2HD      PHE  39  -4.693  -6.365   0.334
  295    HE1  PHE  39           1HE      PHE  39  -5.158  -1.767  -1.388
  296    HE2  PHE  39           2HE      PHE  39  -4.766  -5.965  -2.077
  297    HZ   PHE  39           HZ       PHE  39  -4.991  -3.684  -2.938
  298    H    HIS  40           H        HIS  40  -5.363  -1.965   4.528
  299    HA   HIS  40           HA       HIS  40  -4.817  -3.347   7.057
  300    HB2  HIS  40           2HB      HIS  40  -6.083  -0.616   6.682
  301    HB3  HIS  40           1HB      HIS  40  -5.441  -1.296   8.174
  302    HD1  HIS  40           1HD      HIS  40  -3.048  -0.667   8.714
  303    HD2  HIS  40           2HD      HIS  40  -4.004  -0.074   4.713
  304    HE1  HIS  40           1HE      HIS  40  -1.011   0.383   7.659
  305    HE2  HIS  40           2HE      HIS  40  -1.753   1.015   5.355
  306    H    THR  41           H        THR  41  -6.273  -4.808   7.561
  307    HA   THR  41           HA       THR  41  -8.827  -4.893   6.301
  308    HB   THR  41           HB       THR  41  -9.203  -6.895   7.761
  309    HG1  THR  41           1HG      THR  41  -6.480  -6.467   8.507
  310   HG21  THR  41          3HG2      THR  41  -6.647  -6.835   6.155
  311   HG22  THR  41          1HG2      THR  41  -8.268  -7.124   5.518
  312   HG23  THR  41          2HG2      THR  41  -7.532  -8.286   6.622
  313    H    LYS  42           H        LYS  42 -10.866  -5.032   7.347
  314    HA   LYS  42           HA       LYS  42 -11.386  -3.156   9.359
  315    HB2  LYS  42           2HB      LYS  42 -13.632  -4.189   9.358
  316    HB3  LYS  42           1HB      LYS  42 -13.070  -3.772   7.756
  317    HG2  LYS  42           2HG      LYS  42 -12.548  -6.082   7.304
  318    HG3  LYS  42           1HG      LYS  42 -12.999  -6.529   8.952
  319    HD2  LYS  42           2HD      LYS  42 -14.785  -7.028   7.343
  320    HD3  LYS  42           1HD      LYS  42 -15.288  -5.833   8.539
  321    HE2  LYS  42           2HE      LYS  42 -14.828  -4.043   6.911
  322    HE3  LYS  42           1HE      LYS  42 -14.394  -5.264   5.714
  323    HZ1  LYS  42           3HZ      LYS  42 -16.682  -4.429   5.485
  324    HZ2  LYS  42           1HZ      LYS  42 -17.058  -5.057   7.016
  325    HZ3  LYS  42           2HZ      LYS  42 -16.625  -6.103   5.746
  326    H    LYS  43           H        LYS  43  -9.881  -6.074   9.553
  327    HA   LYS  43           HA       LYS  43 -10.807  -6.780  12.195
  328    HB2  LYS  43           2HB      LYS  43  -8.977  -8.019  10.188
  329    HB3  LYS  43           1HB      LYS  43  -8.786  -8.463  11.878
  330    HG2  LYS  43           2HG      LYS  43 -11.443  -8.622  10.496
  331    HG3  LYS  43           1HG      LYS  43 -10.271  -9.942  10.431
  332    HD2  LYS  43           2HD      LYS  43 -10.280 -10.116  12.847
  333    HD3  LYS  43           1HD      LYS  43 -11.348  -8.715  12.969
  334    HE2  LYS  43           2HE      LYS  43 -12.068 -11.279  11.560
  335    HE3  LYS  43           1HE      LYS  43 -12.495 -10.918  13.231
  336    HZ1  LYS  43           3HZ      LYS  43 -14.338 -10.375  11.844
  337    HZ2  LYS  43           1HZ      LYS  43 -13.371  -9.444  10.806
  338    HZ3  LYS  43           2HZ      LYS  43 -13.660  -8.920  12.393
  339    H    LYS  44           H        LYS  44  -8.873  -4.470  11.003
  340    HA   LYS  44           HA       LYS  44  -7.422  -3.008  11.943
  341    HB2  LYS  44           2HB      LYS  44  -7.686  -4.694  14.444
  342    HB3  LYS  44           1HB      LYS  44  -6.920  -3.111  14.349
  343    HG2  LYS  44           2HG      LYS  44  -8.983  -2.045  13.898
  344    HG3  LYS  44           1HG      LYS  44  -9.798  -3.585  13.624
  345    HD2  LYS  44           2HD      LYS  44  -8.560  -2.879  16.274
  346    HD3  LYS  44           1HD      LYS  44 -10.209  -2.412  15.861
  347    HE2  LYS  44           2HE      LYS  44 -10.285  -4.454  17.120
  348    HE3  LYS  44           1HE      LYS  44 -10.727  -4.806  15.451
  349    HZ1  LYS  44           3HZ      LYS  44  -8.036  -5.272  16.637
  350    HZ2  LYS  44           1HZ      LYS  44  -8.526  -5.685  15.068
  351    HZ3  LYS  44           2HZ      LYS  44  -9.216  -6.468  16.401
  352    H    LEU  45           H        LEU  45  -6.734  -5.799  10.837
  353    HA   LEU  45           HA       LEU  45  -3.966  -5.920  11.820
  354    HB2  LEU  45           2HB      LEU  45  -5.529  -7.977  10.252
  355    HB3  LEU  45           1HB      LEU  45  -3.894  -8.168  10.848
  356    HG   LEU  45           HG       LEU  45  -6.332  -7.850  12.606
  357   HD11  LEU  45          1HD1      LEU  45  -6.333  -9.972  11.373
  358   HD12  LEU  45          2HD1      LEU  45  -6.042 -10.221  13.094
  359   HD13  LEU  45          3HD1      LEU  45  -4.702 -10.306  11.950
  360   HD21  LEU  45          3HD2      LEU  45  -4.801  -8.515  14.409
  361   HD22  LEU  45          1HD2      LEU  45  -4.294  -7.009  13.646
  362   HD23  LEU  45          2HD2      LEU  45  -3.460  -8.514  13.262
  363    H    SER  46           H        SER  46  -2.300  -5.528  10.448
  364    HA   SER  46           HA       SER  46  -2.961  -4.562   7.788
  365    HB2  SER  46           2HB      SER  46  -0.520  -3.951   7.699
  366    HB3  SER  46           1HB      SER  46  -1.412  -3.187   9.010
  367    HG   SER  46           HG       SER  46  -0.594  -5.023  10.324
  368    H    VAL  47           H        VAL  47  -2.980  -5.827   6.097
  369    HA   VAL  47           HA       VAL  47  -1.633  -8.421   6.233
  370    HB   VAL  47           HB       VAL  47  -3.667  -7.383   4.251
  371   HG11  VAL  47          1HG1      VAL  47  -2.271  -9.050   3.207
  372   HG12  VAL  47          2HG1      VAL  47  -3.858  -9.741   3.539
  373   HG13  VAL  47          3HG1      VAL  47  -2.491 -10.138   4.577
  374   HG21  VAL  47          3HG2      VAL  47  -3.975  -9.280   6.574
  375   HG22  VAL  47          1HG2      VAL  47  -5.220  -8.933   5.373
  376   HG23  VAL  47          2HG2      VAL  47  -4.646  -7.655   6.444
  377    H    CYS  48           H        CYS  48   0.053  -8.935   4.928
  378    HA   CYS  48           HA       CYS  48   1.220  -6.783   3.369
  379    HB2  CYS  48           2HB      CYS  48   2.400  -9.522   3.846
  380    HB3  CYS  48           1HB      CYS  48   3.242  -8.031   3.437
  381    H    ALA  49           H        ALA  49  -0.107  -6.694   1.634
  382    HA   ALA  49           HA       ALA  49  -0.905  -9.064   0.215
  383    HB1  ALA  49           1HB      ALA  49  -2.111  -7.445  -1.226
  384    HB2  ALA  49           2HB      ALA  49  -1.366  -6.123  -0.324
  385    HB3  ALA  49           3HB      ALA  49  -2.474  -7.227   0.486
  386    H    ASN  50           H        ASN  50  -0.334  -9.627  -1.858
  387    HA   ASN  50           HA       ASN  50   2.430  -9.008  -2.453
  388    HB2  ASN  50           2HB      ASN  50   0.515 -10.860  -3.895
  389    HB3  ASN  50           1HB      ASN  50   2.255 -10.779  -4.139
  390   HD21  ASN  50          1HD2      ASN  50   0.716 -10.692  -0.948
  391   HD22  ASN  50          2HD2      ASN  50   1.267 -12.265  -0.476
  392    HA   PRO  51           HA       PRO  51   1.142  -6.018  -5.547
  393    HB2  PRO  51           2HB      PRO  51   4.020  -5.919  -6.142
  394    HB3  PRO  51           1HB      PRO  51   2.936  -4.618  -5.636
  395    HG2  PRO  51           2HG      PRO  51   4.783  -5.604  -3.974
  396    HG3  PRO  51           1HG      PRO  51   3.182  -5.113  -3.386
  397    HD2  PRO  51           2HD      PRO  51   4.201  -7.868  -4.005
  398    HD3  PRO  51           1HD      PRO  51   3.268  -7.308  -2.598
  399    H    LYS  52           H        LYS  52   1.972  -9.093  -5.913
  400    HA   LYS  52           HA       LYS  52   2.648  -8.963  -8.765
  401    HB2  LYS  52           2HB      LYS  52   2.720 -11.393  -6.973
  402    HB3  LYS  52           1HB      LYS  52   3.480 -11.196  -8.547
  403    HG2  LYS  52           2HG      LYS  52   5.023  -9.555  -7.612
  404    HG3  LYS  52           1HG      LYS  52   4.245  -9.712  -6.035
  405    HD2  LYS  52           2HD      LYS  52   4.847 -12.128  -6.055
  406    HD3  LYS  52           1HD      LYS  52   5.754 -11.843  -7.542
  407    HE2  LYS  52           2HE      LYS  52   6.263 -10.558  -4.859
  408    HE3  LYS  52           1HE      LYS  52   7.230 -11.828  -5.602
  409    HZ1  LYS  52           3HZ      LYS  52   8.308  -9.744  -5.948
  410    HZ2  LYS  52           1HZ      LYS  52   6.896  -9.041  -6.578
  411    HZ3  LYS  52           2HZ      LYS  52   7.694 -10.260  -7.446
  412    H    GLN  53           H        GLN  53   0.040  -9.531  -6.694
  413    HA   GLN  53           HA       GLN  53  -1.299 -11.490  -8.385
  414    HB2  GLN  53           2HB      GLN  53  -2.915 -10.361  -6.249
  415    HB3  GLN  53           1HB      GLN  53  -2.427 -12.031  -6.507
  416    HG2  GLN  53           2HG      GLN  53  -0.444 -11.752  -5.259
  417    HG3  GLN  53           1HG      GLN  53  -0.567 -10.002  -5.325
  418   HE21  GLN  53          1HE2      GLN  53  -1.990  -8.930  -3.981
  419   HE22  GLN  53          2HE2      GLN  53  -2.719  -9.676  -2.624
  420    H    THR  54           H        THR  54  -3.673 -10.971  -8.956
  421    HA   THR  54           HA       THR  54  -3.742  -8.299 -10.106
  422    HB   THR  54           HB       THR  54  -6.059  -9.347 -10.943
  423    HG1  THR  54           1HG      THR  54  -5.198 -11.657 -11.483
  424   HG21  THR  54          3HG2      THR  54  -3.317  -9.849 -12.105
  425   HG22  THR  54          1HG2      THR  54  -4.347  -8.442 -12.378
  426   HG23  THR  54          2HG2      THR  54  -4.836 -10.024 -12.986
  427    H    TRP  55           H        TRP  55  -5.466 -10.170  -7.662
  428    HA   TRP  55           HA       TRP  55  -7.705  -8.507  -7.491
  429    HB2  TRP  55           2HB      TRP  55  -8.211  -9.541  -5.395
  430    HB3  TRP  55           1HB      TRP  55  -7.656 -10.751  -6.534
  431    HD1  TRP  55           HD       TRP  55  -5.459 -12.008  -5.899
  432    HE1  TRP  55           1HE      TRP  55  -4.059 -12.153  -3.809
  433    HE3  TRP  55           3HE      TRP  55  -7.386  -8.107  -3.586
  434    HZ2  TRP  55           2HZ      TRP  55  -3.777 -10.673  -1.403
  435    HZ3  TRP  55           3HZ      TRP  55  -6.544  -7.470  -1.480
  436    HH2  TRP  55           HH       TRP  55  -4.793  -8.695  -0.339
  437    H    VAL  56           H        VAL  56  -4.523  -8.172  -6.167
  438    HA   VAL  56           HA       VAL  56  -5.136  -6.071  -4.400
  439    HB   VAL  56           HB       VAL  56  -2.610  -5.551  -5.065
  440   HG11  VAL  56          1HG1      VAL  56  -3.535  -7.698  -3.202
  441   HG12  VAL  56          2HG1      VAL  56  -3.333  -5.985  -2.829
  442   HG13  VAL  56          3HG1      VAL  56  -1.924  -6.983  -3.186
  443   HG21  VAL  56          3HG2      VAL  56  -2.630  -7.335  -6.778
  444   HG22  VAL  56          1HG2      VAL  56  -2.746  -8.499  -5.457
  445   HG23  VAL  56          2HG2      VAL  56  -1.338  -7.449  -5.584
  446    H    LYS  57           H        LYS  57  -3.778  -6.276  -7.641
  447    HA   LYS  57           HA       LYS  57  -3.481  -3.573  -8.193
  448    HB2  LYS  57           2HB      LYS  57  -4.244  -5.742 -10.156
  449    HB3  LYS  57           1HB      LYS  57  -3.522  -4.187 -10.560
  450    HG2  LYS  57           2HG      LYS  57  -1.524  -4.805  -9.282
  451    HG3  LYS  57           1HG      LYS  57  -2.245  -6.378  -8.939
  452    HD2  LYS  57           2HD      LYS  57  -2.354  -6.806 -11.379
  453    HD3  LYS  57           1HD      LYS  57  -1.510  -5.279 -11.650
  454    HE2  LYS  57           2HE      LYS  57   0.381  -6.108 -10.310
  455    HE3  LYS  57           1HE      LYS  57  -0.457  -7.646 -10.098
  456    HZ1  LYS  57           3HZ      LYS  57   0.474  -6.488 -12.676
  457    HZ2  LYS  57           1HZ      LYS  57  -0.391  -7.941 -12.523
  458    HZ3  LYS  57           2HZ      LYS  57   1.166  -7.797 -11.859
  459    H    TYR  58           H        TYR  58  -6.342  -5.606  -8.400
  460    HA   TYR  58           HA       TYR  58  -8.052  -3.724  -9.576
  461    HB2  TYR  58           2HB      TYR  58  -8.819  -5.953  -9.494
  462    HB3  TYR  58           1HB      TYR  58  -8.524  -6.081  -7.763
  463    HD1  TYR  58           2HD      TYR  58 -10.476  -3.817 -10.013
  464    HD2  TYR  58           1HD      TYR  58 -10.412  -6.178  -6.482
  465    HE1  TYR  58           2HE      TYR  58 -12.796  -3.169  -9.549
  466    HE2  TYR  58           1HE      TYR  58 -12.729  -5.543  -6.007
  467    HH   TYR  58           HH       TYR  58 -14.718  -3.944  -8.298
  468    H    ILE  59           H        ILE  59  -7.455  -4.532  -6.165
  469    HA   ILE  59           HA       ILE  59  -9.235  -2.622  -5.085
  470    HB   ILE  59           HB       ILE  59  -6.849  -3.943  -3.785
  471   HG12  ILE  59          2HG1      ILE  59  -9.778  -4.654  -3.602
  472   HG13  ILE  59          1HG1      ILE  59  -8.626  -5.478  -4.643
  473   HG21  ILE  59          1HG2      ILE  59  -9.197  -2.518  -2.541
  474   HG22  ILE  59          2HG2      ILE  59  -7.535  -1.930  -2.599
  475   HG23  ILE  59          3HG2      ILE  59  -7.925  -3.376  -1.670
  476   HD11  ILE  59          3HD1      ILE  59  -7.325  -6.115  -2.677
  477   HD12  ILE  59          1HD1      ILE  59  -8.978  -6.732  -2.623
  478   HD13  ILE  59          2HD1      ILE  59  -8.526  -5.329  -1.652
  479    H    VAL  60           H        VAL  60  -5.680  -2.547  -5.497
  480    HA   VAL  60           HA       VAL  60  -5.388  -0.027  -4.235
  481    HB   VAL  60           HB       VAL  60  -3.488  -1.537  -4.417
  482   HG11  VAL  60          1HG1      VAL  60  -3.972  -2.510  -6.606
  483   HG12  VAL  60          2HG1      VAL  60  -2.329  -1.875  -6.546
  484   HG13  VAL  60          3HG1      VAL  60  -3.592  -0.974  -7.384
  485   HG21  VAL  60          3HG2      VAL  60  -1.786   0.051  -5.176
  486   HG22  VAL  60          1HG2      VAL  60  -3.013   0.825  -4.176
  487   HG23  VAL  60          2HG2      VAL  60  -3.045   1.033  -5.927
  488    H    ARG  61           H        ARG  61  -6.153  -0.965  -7.510
  489    HA   ARG  61           HA       ARG  61  -5.755   1.590  -8.692
  490    HB2  ARG  61           2HB      ARG  61  -5.932  -0.478 -10.018
  491    HB3  ARG  61           1HB      ARG  61  -7.599  -0.675  -9.499
  492    HG2  ARG  61           2HG      ARG  61  -8.327   1.150 -10.779
  493    HG3  ARG  61           1HG      ARG  61  -6.686   1.754 -11.006
  494    HD2  ARG  61           2HD      ARG  61  -7.496   0.718 -13.040
  495    HD3  ARG  61           1HD      ARG  61  -6.156  -0.207 -12.368
  496    HE   ARG  61           HE       ARG  61  -8.884  -1.088 -11.745
  497   HH11  ARG  61          1HH1      ARG  61  -5.864  -1.602 -13.455
  498   HH12  ARG  61          2HH1      ARG  61  -6.303  -3.193 -14.012
  499   HH21  ARG  61          1HH2      ARG  61  -9.454  -3.191 -12.496
  500   HH22  ARG  61          2HH2      ARG  61  -8.328  -4.086 -13.470
  501    H    LEU  62           H        LEU  62  -8.391   0.026  -7.009
  502    HA   LEU  62           HA       LEU  62 -10.290   2.132  -7.477
  503    HB2  LEU  62           2HB      LEU  62 -10.801  -0.316  -7.064
  504    HB3  LEU  62           1HB      LEU  62 -10.385  -0.037  -5.385
  505    HG   LEU  62           HG       LEU  62 -12.216   1.686  -5.304
  506   HD11  LEU  62          1HD1      LEU  62 -12.896   0.491  -7.985
  507   HD12  LEU  62          2HD1      LEU  62 -12.367   2.146  -7.684
  508   HD13  LEU  62          3HD1      LEU  62 -13.920   1.590  -7.059
  509   HD21  LEU  62          3HD2      LEU  62 -12.957  -1.154  -5.997
  510   HD22  LEU  62          1HD2      LEU  62 -14.018   0.007  -5.200
  511   HD23  LEU  62          2HD2      LEU  62 -12.543  -0.533  -4.398
  512    H    LEU  63           H        LEU  63  -8.003   1.210  -5.013
  513    HA   LEU  63           HA       LEU  63  -8.809   2.978  -2.965
  514    HB2  LEU  63           2HB      LEU  63  -6.581   1.190  -3.503
  515    HB3  LEU  63           1HB      LEU  63  -6.104   2.618  -2.610
  516    HG   LEU  63           HG       LEU  63  -6.672   0.675  -1.161
  517   HD11  LEU  63          1HD1      LEU  63  -8.507   3.040  -0.853
  518   HD12  LEU  63          2HD1      LEU  63  -6.825   2.971  -0.331
  519   HD13  LEU  63          3HD1      LEU  63  -8.021   1.913   0.415
  520   HD21  LEU  63          3HD2      LEU  63  -8.986   0.044  -0.862
  521   HD22  LEU  63          1HD2      LEU  63  -8.495  -0.244  -2.531
  522   HD23  LEU  63          2HD2      LEU  63  -9.484   1.161  -2.130
  523    H    SER  64           H        SER  64  -6.443   3.271  -5.579
  524    HA   SER  64           HA       SER  64  -5.603   5.881  -4.740
  525    HB2  SER  64           2HB      SER  64  -4.427   5.877  -6.984
  526    HB3  SER  64           1HB      SER  64  -3.988   4.560  -5.894
  527    HG   SER  64           HG       SER  64  -5.083   3.144  -7.123
  528    H    LYS  65           H        LYS  65  -7.558   4.626  -7.435
  529    HA   LYS  65           HA       LYS  65  -8.391   7.346  -8.090
  530    HB2  LYS  65           2HB      LYS  65  -7.652   5.678  -9.854
  531    HB3  LYS  65           1HB      LYS  65  -9.130   4.792  -9.519
  532    HG2  LYS  65           2HG      LYS  65 -10.461   6.694 -10.211
  533    HG3  LYS  65           1HG      LYS  65  -8.997   7.638 -10.503
  534    HD2  LYS  65           2HD      LYS  65  -8.309   5.875 -12.149
  535    HD3  LYS  65           1HD      LYS  65  -9.909   5.159 -11.947
  536    HE2  LYS  65           2HE      LYS  65  -9.406   7.994 -12.850
  537    HE3  LYS  65           1HE      LYS  65  -9.725   6.642 -13.932
  538    HZ1  LYS  65           3HZ      LYS  65 -11.874   6.343 -12.806
  539    HZ2  LYS  65           1HZ      LYS  65 -11.733   7.854 -13.554
  540    HZ3  LYS  65           2HZ      LYS  65 -11.571   7.723 -11.871
  541    H    LYS  66           H        LYS  66  -9.491   7.295  -5.909
  542    HA   LYS  66           HA       LYS  66 -11.866   5.788  -5.556
  543    HB2  LYS  66           2HB      LYS  66 -10.785   6.727  -3.617
  544    HB3  LYS  66           1HB      LYS  66 -10.923   8.354  -4.268
  545    HG2  LYS  66           2HG      LYS  66 -13.349   8.251  -4.052
  546    HG3  LYS  66           1HG      LYS  66 -13.233   6.598  -3.442
  547    HD2  LYS  66           2HD      LYS  66 -12.115   7.316  -1.470
  548    HD3  LYS  66           1HD      LYS  66 -11.879   8.941  -2.116
  549    HE2  LYS  66           2HE      LYS  66 -13.683   8.888  -0.464
  550    HE3  LYS  66           1HE      LYS  66 -14.282   9.328  -2.062
  551    HZ1  LYS  66           3HZ      LYS  66 -15.237   7.212  -2.342
  552    HZ2  LYS  66           1HZ      LYS  66 -15.649   7.689  -0.770
  553    HZ3  LYS  66           2HZ      LYS  66 -14.409   6.554  -1.017
  554    H    VAL  67           H        VAL  67 -13.221   5.927  -7.274
  555    HA   VAL  67           HA       VAL  67 -14.217   8.567  -8.036
  556    HB   VAL  67           HB       VAL  67 -13.529   7.065  -9.853
  557   HG11  VAL  67          1HG1      VAL  67 -13.976   4.923  -8.838
  558   HG12  VAL  67          2HG1      VAL  67 -14.858   5.046 -10.361
  559   HG13  VAL  67          3HG1      VAL  67 -15.708   5.248  -8.828
  560   HG21  VAL  67          3HG2      VAL  67 -15.555   7.232 -11.228
  561   HG22  VAL  67          1HG2      VAL  67 -15.258   8.705 -10.307
  562   HG23  VAL  67          2HG2      VAL  67 -16.501   7.571  -9.778
  563    H    LYS  68           H        LYS  68 -14.968   5.929  -6.079
  564    HA   LYS  68           HA       LYS  68 -17.820   6.087  -6.348
  565    HB2  LYS  68           2HB      LYS  68 -16.679   3.969  -5.743
  566    HB3  LYS  68           1HB      LYS  68 -16.218   4.688  -4.203
  567    HG2  LYS  68           2HG      LYS  68 -18.195   3.234  -4.020
  568    HG3  LYS  68           1HG      LYS  68 -18.531   4.906  -3.555
  569    HD2  LYS  68           2HD      LYS  68 -19.464   5.309  -5.809
  570    HD3  LYS  68           1HD      LYS  68 -19.199   3.611  -6.204
  571    HE2  LYS  68           2HE      LYS  68 -20.931   4.612  -3.953
  572    HE3  LYS  68           1HE      LYS  68 -21.528   4.118  -5.533
  573    HZ1  LYS  68           3HZ      LYS  68 -21.773   2.346  -3.939
  574    HZ2  LYS  68           1HZ      LYS  68 -20.119   2.389  -3.572
  575    HZ3  LYS  68           2HZ      LYS  68 -20.633   1.898  -5.112
  576    H    ASN  69           H        ASN  69 -18.807   7.825  -5.699
  577    HA   ASN  69           HA       ASN  69 -18.245   8.893  -3.007
  578    HB2  ASN  69           2HB      ASN  69 -17.690  10.554  -4.700
  579    HB3  ASN  69           1HB      ASN  69 -19.245  10.319  -5.490
  580   HD21  ASN  69          1HD2      ASN  69 -18.533  10.634  -2.034
  581   HD22  ASN  69          2HD2      ASN  69 -19.468  12.074  -1.810
  582    H    MET  70           H        MET  70 -19.908   8.774  -1.605
  583    HA   MET  70           HA       MET  70 -22.614   8.351  -2.686
  584    HB2  MET  70           2HB      MET  70 -21.703   6.254  -1.731
  585    HB3  MET  70           1HB      MET  70 -21.441   7.080  -0.199
  586    HG2  MET  70           2HG      MET  70 -23.877   7.498  -0.061
  587    HG3  MET  70           1HG      MET  70 -24.090   6.548  -1.529
  588    HE1  MET  70           3HE      MET  70 -23.216   6.513   2.277
  589    HE2  MET  70           1HE      MET  70 -21.683   6.019   1.557
  590    HE3  MET  70           2HE      MET  70 -22.623   4.869   2.510
  Start of MODEL   14
    1    H1   ALA   1           1HT      ALA   1  13.188   9.289   2.083
    2    H2   ALA   1           2HT      ALA   1  13.820   7.928   1.321
    3    H3   ALA   1           3HT      ALA   1  14.835   9.240   1.678
    4    HA   ALA   1           HA       ALA   1  15.273   7.545   3.256
    5    HB1  ALA   1           1HB      ALA   1  13.531   9.655   4.535
    6    HB2  ALA   1           2HB      ALA   1  15.221   9.870   4.077
    7    HB3  ALA   1           3HB      ALA   1  14.788   8.702   5.326
    8    H    SER   2           H        SER   2  14.508   6.087   4.921
    9    HA   SER   2           HA       SER   2  12.070   4.834   4.034
   10    HB2  SER   2           2HB      SER   2  12.820   3.094   5.794
   11    HB3  SER   2           1HB      SER   2  13.803   3.298   4.345
   12    HG   SER   2           HG       SER   2  14.382   3.892   6.987
   13    H    ASN   3           H        ASN   3  10.432   6.244   4.766
   14    HA   ASN   3           HA       ASN   3   9.880   6.711   7.511
   15    HB2  ASN   3           2HB      ASN   3   8.657   7.911   5.740
   16    HB3  ASN   3           1HB      ASN   3   7.977   6.394   5.163
   17   HD21  ASN   3          1HD2      ASN   3   5.866   6.995   5.454
   18   HD22  ASN   3          2HD2      ASN   3   5.160   7.216   7.025
   19    H    PHE   4           H        PHE   4   9.010   4.215   5.246
   20    HA   PHE   4           HA       PHE   4   8.957   2.280   7.444
   21    HB2  PHE   4           2HB      PHE   4   7.276   0.979   6.199
   22    HB3  PHE   4           1HB      PHE   4   6.658   2.570   6.585
   23    HD1  PHE   4           1HD      PHE   4   7.981   0.444   3.939
   24    HD2  PHE   4           2HD      PHE   4   6.085   4.141   4.832
   25    HE1  PHE   4           1HE      PHE   4   7.533   0.775   1.563
   26    HE2  PHE   4           2HE      PHE   4   5.624   4.478   2.430
   27    HZ   PHE   4           HZ       PHE   4   6.360   2.765   0.799
   28    H    ASP   5           H        ASP   5   8.979   0.004   5.962
   29    HA   ASP   5           HA       ASP   5  11.032   0.403   3.935
   30    HB2  ASP   5           2HB      ASP   5  12.020  -1.807   4.681
   31    HB3  ASP   5           1HB      ASP   5  12.281  -0.427   5.739
   32    H    CYS   6           H        CYS   6   9.792  -2.572   4.905
   33    HA   CYS   6           HA       CYS   6   8.083  -2.951   2.644
   34    HB2  CYS   6           2HB      CYS   6   9.303  -5.056   2.029
   35    HB3  CYS   6           1HB      CYS   6  10.228  -3.594   1.725
   36    H    CYS   7           H        CYS   7   7.649  -5.692   2.928
   37    HA   CYS   7           HA       CYS   7   6.746  -5.863   5.715
   38    HB2  CYS   7           2HB      CYS   7   4.957  -5.956   4.013
   39    HB3  CYS   7           1HB      CYS   7   5.720  -7.379   3.305
   40    H    LEU   8           H        LEU   8   6.810  -7.977   6.751
   41    HA   LEU   8           HA       LEU   8   9.349  -9.252   6.325
   42    HB2  LEU   8           2HB      LEU   8   7.113  -9.935   8.238
   43    HB3  LEU   8           1HB      LEU   8   8.721 -10.630   8.273
   44    HG   LEU   8           HG       LEU   8   8.045  -7.728   8.760
   45   HD11  LEU   8          1HD1      LEU   8   8.974  -9.902  10.622
   46   HD12  LEU   8          2HD1      LEU   8   7.385  -9.133  10.612
   47   HD13  LEU   8          3HD1      LEU   8   8.818  -8.197  11.037
   48   HD21  LEU   8          3HD2      LEU   8  10.214  -7.991   7.656
   49   HD22  LEU   8          1HD2      LEU   8  10.702  -9.147   8.897
   50   HD23  LEU   8          2HD2      LEU   8  10.390  -7.467   9.329
   51    H    GLY   9           H        GLY   9   6.032  -9.917   5.553
   52    HA2  GLY   9           2HA      GLY   9   6.785 -11.975   3.712
   53    HA3  GLY   9           1HA      GLY   9   5.951 -12.618   5.120
   54    H    TYR  10           H        TYR  10   5.260 -12.209   2.142
   55    HA   TYR  10           HA       TYR  10   3.082 -10.321   2.193
   56    HB2  TYR  10           2HB      TYR  10   3.815 -12.364   0.093
   57    HB3  TYR  10           1HB      TYR  10   2.612 -11.110  -0.089
   58    HD1  TYR  10           1HD      TYR  10   6.247 -11.518   0.648
   59    HD2  TYR  10           2HD      TYR  10   3.203  -9.126  -1.140
   60    HE1  TYR  10           1HE      TYR  10   7.964 -10.041  -0.303
   61    HE2  TYR  10           2HE      TYR  10   4.918  -7.645  -2.073
   62    HH   TYR  10           HH       TYR  10   7.120  -7.044  -1.886
   63    H    THR  11           H        THR  11   0.932 -11.075   1.295
   64    HA   THR  11           HA       THR  11  -0.030 -13.345   2.819
   65    HB   THR  11           HB       THR  11  -1.307 -11.200   2.735
   66    HG1  THR  11           1HG      THR  11  -2.342 -13.289   3.113
   67   HG21  THR  11          3HG2      THR  11  -0.892 -10.570   0.435
   68   HG22  THR  11          1HG2      THR  11  -2.628 -10.702   0.710
   69   HG23  THR  11          2HG2      THR  11  -1.768 -11.988  -0.139
   70    H    ASP  12           H        ASP  12  -1.891 -14.536   1.439
   71    HA   ASP  12           HA       ASP  12  -0.847 -15.303  -1.196
   72    HB2  ASP  12           2HB      ASP  12  -1.011 -17.674  -0.632
   73    HB3  ASP  12           1HB      ASP  12   0.084 -16.877   0.493
   74    H    ARG  13           H        ARG  13  -3.316 -14.103   0.421
   75    HA   ARG  13           HA       ARG  13  -5.382 -16.044  -0.255
   76    HB2  ARG  13           2HB      ARG  13  -5.689 -13.456   1.265
   77    HB3  ARG  13           1HB      ARG  13  -6.748 -14.870   1.305
   78    HG2  ARG  13           2HG      ARG  13  -4.972 -16.189   2.377
   79    HG3  ARG  13           1HG      ARG  13  -3.921 -14.772   2.353
   80    HD2  ARG  13           2HD      ARG  13  -5.697 -13.598   3.724
   81    HD3  ARG  13           1HD      ARG  13  -6.456 -15.181   3.922
   82    HE   ARG  13           HE       ARG  13  -3.645 -14.779   4.702
   83   HH11  ARG  13          1HH1      ARG  13  -6.934 -15.665   5.538
   84   HH12  ARG  13          2HH1      ARG  13  -6.502 -16.192   7.137
   85   HH21  ARG  13          1HH2      ARG  13  -3.100 -15.478   6.800
   86   HH22  ARG  13          2HH2      ARG  13  -4.337 -16.069   7.865
   87    H    ILE  14           H        ILE  14  -7.588 -14.797  -0.583
   88    HA   ILE  14           HA       ILE  14  -7.265 -12.619  -2.535
   89    HB   ILE  14           HB       ILE  14  -9.490 -14.649  -2.277
   90   HG12  ILE  14          2HG1      ILE  14  -7.218 -15.123  -3.539
   91   HG13  ILE  14          1HG1      ILE  14  -8.757 -15.648  -4.217
   92   HG21  ILE  14          1HG2      ILE  14 -10.456 -12.496  -2.765
   93   HG22  ILE  14          2HG2      ILE  14 -10.528 -13.511  -4.205
   94   HG23  ILE  14          3HG2      ILE  14  -9.307 -12.244  -4.078
   95   HD11  ILE  14          3HD1      ILE  14  -7.228 -13.170  -4.960
   96   HD12  ILE  14          1HD1      ILE  14  -8.799 -13.640  -5.615
   97   HD13  ILE  14          2HD1      ILE  14  -7.377 -14.646  -5.919
   98    H    LEU  15           H        LEU  15  -7.217 -11.042  -0.877
   99    HA   LEU  15           HA       LEU  15  -9.471 -10.888   0.961
  100    HB2  LEU  15           2HB      LEU  15  -7.025  -9.136   0.620
  101    HB3  LEU  15           1HB      LEU  15  -8.307  -8.790   1.768
  102    HG   LEU  15           HG       LEU  15  -6.614  -9.796   3.038
  103   HD11  LEU  15          1HD1      LEU  15  -7.520 -11.964   3.737
  104   HD12  LEU  15          2HD1      LEU  15  -8.557 -11.983   2.310
  105   HD13  LEU  15          3HD1      LEU  15  -8.782 -10.747   3.548
  106   HD21  LEU  15          3HD2      LEU  15  -6.374 -11.813   0.815
  107   HD22  LEU  15          1HD2      LEU  15  -5.551 -11.948   2.372
  108   HD23  LEU  15          2HD2      LEU  15  -5.192 -10.596   1.297
  109    H    HIS  16           H        HIS  16 -10.556  -8.655   1.125
  110    HA   HIS  16           HA       HIS  16 -10.953  -7.644  -1.605
  111    HB2  HIS  16           2HB      HIS  16 -13.091  -8.517   0.323
  112    HB3  HIS  16           1HB      HIS  16 -13.403  -7.597  -1.146
  113    HD1  HIS  16           1HD      HIS  16 -14.614 -10.336  -0.670
  114    HD2  HIS  16           2HD      HIS  16 -11.033  -9.749  -2.694
  115    HE1  HIS  16           1HE      HIS  16 -14.440 -12.220  -2.236
  116    HE2  HIS  16           2HE      HIS  16 -12.400 -11.765  -3.644
  117    HA   PRO  17           HA       PRO  17 -11.515  -3.595   0.259
  118    HB2  PRO  17           2HB      PRO  17 -13.627  -2.704  -1.259
  119    HB3  PRO  17           1HB      PRO  17 -11.944  -2.646  -1.787
  120    HG2  PRO  17           2HG      PRO  17 -14.075  -4.624  -2.471
  121    HG3  PRO  17           1HG      PRO  17 -12.822  -3.920  -3.509
  122    HD2  PRO  17           2HD      PRO  17 -12.626  -6.419  -2.492
  123    HD3  PRO  17           1HD      PRO  17 -11.203  -5.384  -2.760
  124    H    LYS  18           H        LYS  18 -13.867  -6.020  -0.178
  125    HA   LYS  18           HA       LYS  18 -16.052  -5.328   1.330
  126    HB2  LYS  18           2HB      LYS  18 -14.568  -7.940   1.043
  127    HB3  LYS  18           1HB      LYS  18 -16.091  -7.842   1.893
  128    HG2  LYS  18           2HG      LYS  18 -17.180  -7.085  -0.159
  129    HG3  LYS  18           1HG      LYS  18 -15.640  -7.175  -1.006
  130    HD2  LYS  18           2HD      LYS  18 -15.530  -9.536  -0.679
  131    HD3  LYS  18           1HD      LYS  18 -16.926  -9.504   0.398
  132    HE2  LYS  18           2HE      LYS  18 -17.068  -8.650  -2.479
  133    HE3  LYS  18           1HE      LYS  18 -17.337 -10.313  -1.956
  134    HZ1  LYS  18           3HZ      LYS  18 -19.419  -9.127  -2.153
  135    HZ2  LYS  18           1HZ      LYS  18 -18.889  -7.942  -1.061
  136    HZ3  LYS  18           2HZ      LYS  18 -19.130  -9.537  -0.538
  137    H    PHE  19           H        PHE  19 -12.801  -6.019   2.413
  138    HA   PHE  19           HA       PHE  19 -13.695  -5.850   5.216
  139    HB2  PHE  19           2HB      PHE  19 -11.474  -7.626   4.179
  140    HB3  PHE  19           1HB      PHE  19 -12.064  -7.543   5.836
  141    HD1  PHE  19           1HD      PHE  19 -14.286  -8.461   6.400
  142    HD2  PHE  19           2HD      PHE  19 -12.593  -8.908   2.519
  143    HE1  PHE  19           1HE      PHE  19 -15.907 -10.244   5.904
  144    HE2  PHE  19           2HE      PHE  19 -14.223 -10.686   2.007
  145    HZ   PHE  19           HZ       PHE  19 -15.878 -11.357   3.706
  146    H    ILE  20           H        ILE  20 -12.274  -4.025   3.092
  147    HA   ILE  20           HA       ILE  20  -9.786  -3.537   4.575
  148    HB   ILE  20           HB       ILE  20 -10.487  -3.037   1.721
  149   HG12  ILE  20          2HG1      ILE  20  -9.670  -5.209   2.025
  150   HG13  ILE  20          1HG1      ILE  20  -8.272  -4.279   1.542
  151   HG21  ILE  20          1HG2      ILE  20  -8.087  -1.989   3.218
  152   HG22  ILE  20          2HG2      ILE  20  -9.379  -1.019   2.512
  153   HG23  ILE  20          3HG2      ILE  20  -8.301  -1.945   1.468
  154   HD11  ILE  20          3HD1      ILE  20  -8.936  -5.222   4.297
  155   HD12  ILE  20          1HD1      ILE  20  -7.638  -4.083   3.931
  156   HD13  ILE  20          2HD1      ILE  20  -7.588  -5.718   3.278
  157    H    VAL  21           H        VAL  21  -9.546  -1.723   5.702
  158    HA   VAL  21           HA       VAL  21 -11.343   0.536   5.101
  159    HB   VAL  21           HB       VAL  21 -11.086   1.209   7.496
  160   HG11  VAL  21          1HG1      VAL  21 -13.097   0.091   6.771
  161   HG12  VAL  21          2HG1      VAL  21 -12.649  -0.494   8.372
  162   HG13  VAL  21          3HG1      VAL  21 -12.325  -1.484   6.949
  163   HG21  VAL  21          3HG2      VAL  21  -9.031  -0.002   8.009
  164   HG22  VAL  21          1HG2      VAL  21  -9.865  -1.540   7.781
  165   HG23  VAL  21          2HG2      VAL  21 -10.325  -0.476   9.110
  166    H    GLY  22           H        GLY  22  -8.231  -0.500   4.884
  167    HA2  GLY  22           2HA      GLY  22  -7.233   2.210   4.588
  168    HA3  GLY  22           1HA      GLY  22  -6.467   1.271   5.862
  169    H    PHE  23           H        PHE  23  -5.115   2.299   3.609
  170    HA   PHE  23           HA       PHE  23  -3.973  -0.136   2.504
  171    HB2  PHE  23           2HB      PHE  23  -5.459  -0.023   0.813
  172    HB3  PHE  23           1HB      PHE  23  -5.744   1.701   1.015
  173    HD1  PHE  23           2HD      PHE  23  -3.446  -0.811  -0.354
  174    HD2  PHE  23           1HD      PHE  23  -4.580   3.269  -0.180
  175    HE1  PHE  23           2HE      PHE  23  -1.958  -0.331  -2.241
  176    HE2  PHE  23           1HE      PHE  23  -3.106   3.766  -2.088
  177    HZ   PHE  23           HZ       PHE  23  -1.791   1.945  -3.086
  178    H    THR  24           H        THR  24  -1.888   0.099   2.178
  179    HA   THR  24           HA       THR  24  -0.733   2.761   1.836
  180    HB   THR  24           HB       THR  24   0.319   0.796   3.879
  181    HG1  THR  24           1HG      THR  24  -1.305   3.126   4.138
  182   HG21  THR  24          3HG2      THR  24   1.077   3.650   3.222
  183   HG22  THR  24          1HG2      THR  24   2.054   2.214   2.924
  184   HG23  THR  24          2HG2      THR  24   1.718   2.724   4.580
  185    H    ARG  25           H        ARG  25   0.229   2.465  -0.176
  186    HA   ARG  25           HA       ARG  25   1.314  -0.108  -0.860
  187    HB2  ARG  25           2HB      ARG  25   1.900   0.835  -3.002
  188    HB3  ARG  25           1HB      ARG  25   0.258   1.298  -2.577
  189    HG2  ARG  25           2HG      ARG  25   0.939   3.527  -2.075
  190    HG3  ARG  25           1HG      ARG  25   2.646   3.094  -2.201
  191    HD2  ARG  25           2HD      ARG  25   1.982   4.251  -4.201
  192    HD3  ARG  25           1HD      ARG  25   2.283   2.561  -4.597
  193    HE   ARG  25           HE       ARG  25  -0.473   3.330  -4.045
  194   HH11  ARG  25          1HH1      ARG  25   1.988   2.575  -6.436
  195   HH12  ARG  25          2HH1      ARG  25   0.834   2.289  -7.701
  196   HH21  ARG  25          1HH2      ARG  25  -1.984   2.977  -5.729
  197   HH22  ARG  25          2HH2      ARG  25  -1.411   2.514  -7.310
  198    H    GLN  26           H        GLN  26   3.080  -0.804  -0.030
  199    HA   GLN  26           HA       GLN  26   5.142   1.056   0.850
  200    HB2  GLN  26           2HB      GLN  26   4.631  -0.222   2.644
  201    HB3  GLN  26           1HB      GLN  26   4.050  -1.553   1.665
  202    HG2  GLN  26           2HG      GLN  26   6.469  -2.086   1.216
  203    HG3  GLN  26           1HG      GLN  26   6.842  -0.926   2.501
  204   HE21  GLN  26          1HE2      GLN  26   6.044  -1.311   4.591
  205   HE22  GLN  26          2HE2      GLN  26   5.626  -2.906   5.094
  206    H    LEU  27           H        LEU  27   7.307   0.854   0.136
  207    HA   LEU  27           HA       LEU  27   7.387  -0.444  -2.515
  208    HB2  LEU  27           2HB      LEU  27   8.234   2.362  -1.812
  209    HB3  LEU  27           1HB      LEU  27   8.482   1.600  -3.370
  210    HG   LEU  27           HG       LEU  27   5.789   2.188  -2.134
  211   HD11  LEU  27          1HD1      LEU  27   7.224   3.532  -4.420
  212   HD12  LEU  27          2HD1      LEU  27   6.994   4.219  -2.811
  213   HD13  LEU  27          3HD1      LEU  27   5.599   3.903  -3.845
  214   HD21  LEU  27          3HD2      LEU  27   5.770   0.230  -3.603
  215   HD22  LEU  27          1HD2      LEU  27   6.527   1.185  -4.879
  216   HD23  LEU  27          2HD2      LEU  27   4.901   1.587  -4.321
  217    H    ALA  28           H        ALA  28   9.451  -0.677  -3.477
  218    HA   ALA  28           HA       ALA  28  11.604  -1.161  -1.554
  219    HB1  ALA  28           1HB      ALA  28  12.487  -2.670  -3.279
  220    HB2  ALA  28           2HB      ALA  28  11.151  -2.223  -4.342
  221    HB3  ALA  28           3HB      ALA  28  10.830  -3.084  -2.836
  222    H    ASN  29           H        ASN  29  11.009   1.497  -2.613
  223    HA   ASN  29           HA       ASN  29  13.202   1.939  -4.500
  224    HB2  ASN  29           2HB      ASN  29  10.990   3.814  -3.638
  225    HB3  ASN  29           1HB      ASN  29  12.227   4.181  -4.834
  226   HD21  ASN  29          1HD2      ASN  29  12.164   1.489  -6.017
  227   HD22  ASN  29          2HD2      ASN  29  10.682   1.413  -6.921
  228    H    GLU  30           H        GLU  30  11.872   3.942  -1.874
  229    HA   GLU  30           HA       GLU  30  14.637   4.495  -1.048
  230    HB2  GLU  30           2HB      GLU  30  13.775   6.622  -0.148
  231    HB3  GLU  30           1HB      GLU  30  13.478   6.475  -1.875
  232    HG2  GLU  30           2HG      GLU  30  11.166   5.880  -1.448
  233    HG3  GLU  30           1HG      GLU  30  11.453   5.942   0.290
  234    H    GLY  31           H        GLY  31  12.848   2.250  -0.205
  235    HA2  GLY  31           2HA      GLY  31  12.818   2.851   2.683
  236    HA3  GLY  31           1HA      GLY  31  11.469   2.035   1.914
  237    H    CYS  32           H        CYS  32  12.062   0.006   0.715
  238    HA   CYS  32           HA       CYS  32  14.180  -1.454   2.132
  239    HB2  CYS  32           2HB      CYS  32  11.923  -1.942   3.055
  240    HB3  CYS  32           1HB      CYS  32  11.423  -2.499   1.468
  241    H    ASP  33           H        ASP  33  14.101  -3.846   0.897
  242    HA   ASP  33           HA       ASP  33  14.767  -3.180  -1.876
  243    HB2  ASP  33           2HB      ASP  33  15.188  -5.889  -0.646
  244    HB3  ASP  33           1HB      ASP  33  16.107  -5.100  -1.920
  245    H    ILE  34           H        ILE  34  12.463  -4.896   0.042
  246    HA   ILE  34           HA       ILE  34  11.179  -5.917  -2.403
  247    HB   ILE  34           HB       ILE  34  10.379  -7.725  -1.281
  248   HG12  ILE  34          2HG1      ILE  34  10.191  -6.098   1.263
  249   HG13  ILE  34          1HG1      ILE  34   8.866  -6.376   0.140
  250   HG21  ILE  34          1HG2      ILE  34  11.865  -8.526   0.483
  251   HG22  ILE  34          2HG2      ILE  34  12.494  -6.894   0.701
  252   HG23  ILE  34          3HG2      ILE  34  12.781  -7.755  -0.813
  253   HD11  ILE  34          3HD1      ILE  34   8.975  -8.766   0.613
  254   HD12  ILE  34          1HD1      ILE  34   8.692  -7.817   2.073
  255   HD13  ILE  34          2HD1      ILE  34  10.295  -8.479   1.746
  256    H    ASN  35           H        ASN  35   8.761  -5.652  -2.466
  257    HA   ASN  35           HA       ASN  35   7.876  -3.357  -0.845
  258    HB2  ASN  35           2HB      ASN  35   6.736  -2.399  -2.830
  259    HB3  ASN  35           1HB      ASN  35   8.483  -2.439  -3.023
  260   HD21  ASN  35          1HD2      ASN  35   9.394  -3.878  -4.522
  261   HD22  ASN  35          2HD2      ASN  35   8.444  -4.625  -5.754
  262    H    ALA  36           H        ALA  36   5.888  -3.578   0.038
  263    HA   ALA  36           HA       ALA  36   4.111  -5.620  -1.155
  264    HB1  ALA  36           1HB      ALA  36   4.581  -5.223   1.797
  265    HB2  ALA  36           2HB      ALA  36   5.128  -6.591   0.827
  266    HB3  ALA  36           3HB      ALA  36   3.403  -6.323   1.082
  267    H    ILE  37           H        ILE  37   1.929  -5.209  -1.124
  268    HA   ILE  37           HA       ILE  37   1.177  -2.437  -0.667
  269    HB   ILE  37           HB       ILE  37  -0.474  -4.724  -1.767
  270   HG12  ILE  37          2HG1      ILE  37   1.455  -4.234  -3.191
  271   HG13  ILE  37          1HG1      ILE  37  -0.035  -3.712  -3.970
  272   HG21  ILE  37          1HG2      ILE  37  -1.940  -2.929  -2.604
  273   HG22  ILE  37          2HG2      ILE  37  -0.945  -1.749  -1.750
  274   HG23  ILE  37          3HG2      ILE  37  -1.850  -2.958  -0.843
  275   HD11  ILE  37          3HD1      ILE  37   1.956  -1.944  -2.558
  276   HD12  ILE  37          1HD1      ILE  37   0.447  -1.400  -3.290
  277   HD13  ILE  37          2HD1      ILE  37   1.722  -2.080  -4.300
  278    H    ILE  38           H        ILE  38   0.733  -1.983   1.441
  279    HA   ILE  38           HA       ILE  38  -0.266  -4.040   3.200
  280    HB   ILE  38           HB       ILE  38   0.092  -1.099   3.794
  281   HG12  ILE  38          2HG1      ILE  38   1.987  -3.379   4.376
  282   HG13  ILE  38          1HG1      ILE  38   2.182  -2.262   3.028
  283   HG21  ILE  38          1HG2      ILE  38  -0.099  -3.484   5.631
  284   HG22  ILE  38          2HG2      ILE  38  -1.374  -2.297   5.358
  285   HG23  ILE  38          3HG2      ILE  38   0.137  -1.808   6.126
  286   HD11  ILE  38          3HD1      ILE  38   2.191  -1.535   5.948
  287   HD12  ILE  38          1HD1      ILE  38   2.388  -0.406   4.607
  288   HD13  ILE  38          2HD1      ILE  38   3.602  -1.652   4.900
  289    H    PHE  39           H        PHE  39  -2.362  -4.603   2.754
  290    HA   PHE  39           HA       PHE  39  -4.387  -2.494   2.703
  291    HB2  PHE  39           2HB      PHE  39  -4.620  -5.501   2.442
  292    HB3  PHE  39           1HB      PHE  39  -6.005  -4.424   2.501
  293    HD1  PHE  39           1HD      PHE  39  -5.057  -2.188   0.766
  294    HD2  PHE  39           2HD      PHE  39  -4.711  -6.412   0.342
  295    HE1  PHE  39           1HE      PHE  39  -4.946  -1.929  -1.692
  296    HE2  PHE  39           2HE      PHE  39  -4.589  -6.164  -2.096
  297    HZ   PHE  39           HZ       PHE  39  -4.690  -3.941  -3.118
  298    H    HIS  40           H        HIS  40  -5.399  -1.844   4.486
  299    HA   HIS  40           HA       HIS  40  -4.806  -3.289   6.975
  300    HB2  HIS  40           2HB      HIS  40  -5.995  -0.517   6.690
  301    HB3  HIS  40           1HB      HIS  40  -5.337  -1.241   8.149
  302    HD1  HIS  40           1HD      HIS  40  -3.067  -0.359   8.708
  303    HD2  HIS  40           2HD      HIS  40  -3.807  -0.333   4.622
  304    HE1  HIS  40           1HE      HIS  40  -1.036   0.704   7.634
  305    HE2  HIS  40           2HE      HIS  40  -1.665   0.970   5.223
  306    H    THR  41           H        THR  41  -6.324  -4.716   7.507
  307    HA   THR  41           HA       THR  41  -8.966  -4.572   6.404
  308    HB   THR  41           HB       THR  41  -9.404  -6.638   7.675
  309    HG1  THR  41           1HG      THR  41  -6.704  -6.464   8.546
  310   HG21  THR  41          3HG2      THR  41  -8.352  -6.801   5.476
  311   HG22  THR  41          1HG2      THR  41  -7.759  -8.060   6.558
  312   HG23  THR  41          2HG2      THR  41  -6.759  -6.647   6.219
  313    H    LYS  42           H        LYS  42 -10.922  -4.514   7.565
  314    HA   LYS  42           HA       LYS  42 -11.075  -2.766   9.798
  315    HB2  LYS  42           2HB      LYS  42 -12.923  -3.172   8.146
  316    HB3  LYS  42           1HB      LYS  42 -13.136  -4.770   8.843
  317    HG2  LYS  42           2HG      LYS  42 -13.542  -3.581  11.053
  318    HG3  LYS  42           1HG      LYS  42 -13.686  -2.104  10.100
  319    HD2  LYS  42           2HD      LYS  42 -15.486  -3.117   8.792
  320    HD3  LYS  42           1HD      LYS  42 -15.332  -4.604   9.727
  321    HE2  LYS  42           2HE      LYS  42 -16.173  -1.899  10.753
  322    HE3  LYS  42           1HE      LYS  42 -17.191  -3.325  10.565
  323    HZ1  LYS  42           3HZ      LYS  42 -15.619  -4.434  12.189
  324    HZ2  LYS  42           1HZ      LYS  42 -16.631  -3.233  12.826
  325    HZ3  LYS  42           2HZ      LYS  42 -15.003  -2.887  12.511
  326    H    LYS  43           H        LYS  43 -10.105  -5.925   9.481
  327    HA   LYS  43           HA       LYS  43 -11.084  -6.860  12.032
  328    HB2  LYS  43           2HB      LYS  43 -11.004  -8.271   9.920
  329    HB3  LYS  43           1HB      LYS  43  -9.260  -8.315  10.127
  330    HG2  LYS  43           2HG      LYS  43  -9.488  -9.466  12.227
  331    HG3  LYS  43           1HG      LYS  43 -11.245  -9.306  12.161
  332    HD2  LYS  43           2HD      LYS  43  -9.551 -10.829  10.179
  333    HD3  LYS  43           1HD      LYS  43 -10.491 -11.552  11.487
  334    HE2  LYS  43           2HE      LYS  43 -11.640  -9.890   9.247
  335    HE3  LYS  43           1HE      LYS  43 -11.623 -11.650   9.277
  336    HZ1  LYS  43           3HZ      LYS  43 -13.704 -10.386  10.065
  337    HZ2  LYS  43           1HZ      LYS  43 -12.843 -10.151  11.503
  338    HZ3  LYS  43           2HZ      LYS  43 -13.172 -11.724  10.961
  339    H    LYS  44           H        LYS  44  -8.878  -4.765  11.369
  340    HA   LYS  44           HA       LYS  44  -7.238  -3.830  12.623
  341    HB2  LYS  44           2HB      LYS  44  -7.596  -6.190  14.472
  342    HB3  LYS  44           1HB      LYS  44  -6.682  -4.733  14.834
  343    HG2  LYS  44           2HG      LYS  44  -8.683  -3.403  14.798
  344    HG3  LYS  44           1HG      LYS  44  -9.635  -4.782  14.243
  345    HD2  LYS  44           2HD      LYS  44 -10.019  -4.523  16.590
  346    HD3  LYS  44           1HD      LYS  44  -9.013  -5.955  16.365
  347    HE2  LYS  44           2HE      LYS  44  -8.116  -4.751  18.201
  348    HE3  LYS  44           1HE      LYS  44  -7.020  -4.514  16.842
  349    HZ1  LYS  44           3HZ      LYS  44  -9.104  -2.581  17.718
  350    HZ2  LYS  44           1HZ      LYS  44  -7.992  -2.352  16.459
  351    HZ3  LYS  44           2HZ      LYS  44  -7.451  -2.460  18.060
  352    H    LEU  45           H        LEU  45  -6.859  -6.239  10.690
  353    HA   LEU  45           HA       LEU  45  -4.077  -6.821  11.454
  354    HB2  LEU  45           2HB      LEU  45  -5.944  -8.418   9.696
  355    HB3  LEU  45           1HB      LEU  45  -4.265  -8.820   9.998
  356    HG   LEU  45           HG       LEU  45  -6.428  -8.724  12.101
  357   HD11  LEU  45          1HD1      LEU  45  -6.241 -11.152  12.108
  358   HD12  LEU  45          2HD1      LEU  45  -5.071 -11.075  10.792
  359   HD13  LEU  45          3HD1      LEU  45  -6.735 -10.561  10.523
  360   HD21  LEU  45          3HD2      LEU  45  -4.178  -8.182  12.942
  361   HD22  LEU  45          1HD2      LEU  45  -3.577  -9.697  12.269
  362   HD23  LEU  45          2HD2      LEU  45  -4.776  -9.721  13.562
  363    H    SER  46           H        SER  46  -2.441  -6.507  10.006
  364    HA   SER  46           HA       SER  46  -3.120  -4.930   7.640
  365    HB2  SER  46           2HB      SER  46  -0.617  -4.445   7.668
  366    HB3  SER  46           1HB      SER  46  -1.550  -3.800   9.018
  367    HG   SER  46           HG       SER  46  -0.004  -4.781  10.112
  368    H    VAL  47           H        VAL  47  -3.300  -6.021   5.815
  369    HA   VAL  47           HA       VAL  47  -1.926  -8.575   5.510
  370    HB   VAL  47           HB       VAL  47  -3.982  -7.263   3.721
  371   HG11  VAL  47          1HG1      VAL  47  -2.917 -10.085   3.707
  372   HG12  VAL  47          2HG1      VAL  47  -2.529  -8.833   2.527
  373   HG13  VAL  47          3HG1      VAL  47  -4.180  -9.442   2.653
  374   HG21  VAL  47          3HG2      VAL  47  -4.284  -9.453   5.768
  375   HG22  VAL  47          1HG2      VAL  47  -5.537  -8.925   4.645
  376   HG23  VAL  47          2HG2      VAL  47  -4.933  -7.818   5.877
  377    H    CYS  48           H        CYS  48  -0.025  -8.663   4.510
  378    HA   CYS  48           HA       CYS  48   0.883  -6.441   2.913
  379    HB2  CYS  48           2HB      CYS  48   2.234  -9.067   3.572
  380    HB3  CYS  48           1HB      CYS  48   2.999  -7.691   2.776
  381    H    ALA  49           H        ALA  49  -0.397  -6.424   1.163
  382    HA   ALA  49           HA       ALA  49  -1.127  -8.763  -0.267
  383    HB1  ALA  49           1HB      ALA  49  -2.532  -6.748  -0.119
  384    HB2  ALA  49           2HB      ALA  49  -2.220  -7.212  -1.792
  385    HB3  ALA  49           3HB      ALA  49  -1.346  -5.858  -1.071
  386    H    ASN  50           H        ASN  50  -0.409  -9.559  -2.163
  387    HA   ASN  50           HA       ASN  50   2.329  -8.967  -2.854
  388    HB2  ASN  50           2HB      ASN  50   0.347 -10.866  -4.147
  389    HB3  ASN  50           1HB      ASN  50   2.062 -10.789  -4.509
  390   HD21  ASN  50          1HD2      ASN  50   0.795 -10.533  -1.245
  391   HD22  ASN  50          2HD2      ASN  50   1.370 -12.082  -0.721
  392    HA   PRO  51           HA       PRO  51   1.017  -6.157  -6.115
  393    HB2  PRO  51           2HB      PRO  51   3.830  -6.068  -6.891
  394    HB3  PRO  51           1HB      PRO  51   2.814  -4.780  -6.242
  395    HG2  PRO  51           2HG      PRO  51   4.844  -5.923  -4.838
  396    HG3  PRO  51           1HG      PRO  51   3.405  -5.217  -4.081
  397    HD2  PRO  51           2HD      PRO  51   4.070  -8.087  -4.590
  398    HD3  PRO  51           1HD      PRO  51   3.262  -7.345  -3.193
  399    H    LYS  52           H        LYS  52   1.614  -9.221  -6.264
  400    HA   LYS  52           HA       LYS  52   2.453  -9.511  -9.057
  401    HB2  LYS  52           2HB      LYS  52   1.960 -11.675  -7.012
  402    HB3  LYS  52           1HB      LYS  52   2.892 -11.797  -8.499
  403    HG2  LYS  52           2HG      LYS  52   4.645 -10.463  -7.605
  404    HG3  LYS  52           1HG      LYS  52   3.675 -10.038  -6.189
  405    HD2  LYS  52           2HD      LYS  52   3.616 -12.483  -5.617
  406    HD3  LYS  52           1HD      LYS  52   4.785 -12.746  -6.913
  407    HE2  LYS  52           2HE      LYS  52   6.351 -11.233  -5.802
  408    HE3  LYS  52           1HE      LYS  52   5.182 -10.971  -4.508
  409    HZ1  LYS  52           3HZ      LYS  52   5.306 -13.341  -3.986
  410    HZ2  LYS  52           1HZ      LYS  52   6.822 -12.592  -3.848
  411    HZ3  LYS  52           2HZ      LYS  52   6.471 -13.560  -5.199
  412    H    GLN  53           H        GLN  53  -0.317  -9.560  -7.084
  413    HA   GLN  53           HA       GLN  53  -1.725 -11.459  -8.831
  414    HB2  GLN  53           2HB      GLN  53  -3.260 -11.576  -6.709
  415    HB3  GLN  53           1HB      GLN  53  -1.735 -12.458  -6.750
  416    HG2  GLN  53           2HG      GLN  53  -0.692 -10.482  -5.622
  417    HG3  GLN  53           1HG      GLN  53  -2.312  -9.841  -5.402
  418   HE21  GLN  53          1HE2      GLN  53  -2.102  -9.869  -3.182
  419   HE22  GLN  53          2HE2      GLN  53  -2.159 -11.348  -2.274
  420    H    THR  54           H        THR  54  -3.901 -11.071  -9.359
  421    HA   THR  54           HA       THR  54  -4.217  -8.364 -10.175
  422    HB   THR  54           HB       THR  54  -6.448  -9.399 -11.093
  423    HG1  THR  54           1HG      THR  54  -6.350 -11.615 -11.293
  424   HG21  THR  54          3HG2      THR  54  -5.198 -10.198 -13.054
  425   HG22  THR  54          1HG2      THR  54  -3.708 -10.132 -12.112
  426   HG23  THR  54          2HG2      THR  54  -4.593  -8.648 -12.468
  427    H    TRP  55           H        TRP  55  -5.851 -10.407  -7.770
  428    HA   TRP  55           HA       TRP  55  -8.009  -8.674  -7.311
  429    HB2  TRP  55           2HB      TRP  55  -8.417  -9.801  -5.272
  430    HB3  TRP  55           1HB      TRP  55  -7.872 -11.001  -6.429
  431    HD1  TRP  55           HD       TRP  55  -5.521 -12.106  -5.934
  432    HE1  TRP  55           1HE      TRP  55  -4.090 -12.268  -3.868
  433    HE3  TRP  55           3HE      TRP  55  -7.735  -8.517  -3.332
  434    HZ2  TRP  55           2HZ      TRP  55  -3.923 -10.962  -1.340
  435    HZ3  TRP  55           3HZ      TRP  55  -6.935  -8.001  -1.173
  436    HH2  TRP  55           HH       TRP  55  -5.089  -9.163  -0.131
  437    H    VAL  56           H        VAL  56  -4.742  -8.673  -6.194
  438    HA   VAL  56           HA       VAL  56  -5.008  -6.492  -4.403
  439    HB   VAL  56           HB       VAL  56  -2.683  -7.775  -5.806
  440   HG11  VAL  56          1HG1      VAL  56  -2.566  -5.368  -4.002
  441   HG12  VAL  56          2HG1      VAL  56  -2.186  -5.401  -5.724
  442   HG13  VAL  56          3HG1      VAL  56  -1.182  -6.292  -4.581
  443   HG21  VAL  56          3HG2      VAL  56  -3.498  -7.500  -2.922
  444   HG22  VAL  56          1HG2      VAL  56  -2.030  -8.298  -3.491
  445   HG23  VAL  56          2HG2      VAL  56  -3.614  -8.948  -3.920
  446    H    LYS  57           H        LYS  57  -3.856  -6.772  -7.753
  447    HA   LYS  57           HA       LYS  57  -3.327  -4.072  -8.179
  448    HB2  LYS  57           2HB      LYS  57  -4.228  -6.123 -10.203
  449    HB3  LYS  57           1HB      LYS  57  -3.446  -4.590 -10.572
  450    HG2  LYS  57           2HG      LYS  57  -1.474  -5.346  -9.274
  451    HG3  LYS  57           1HG      LYS  57  -2.266  -6.910  -9.073
  452    HD2  LYS  57           2HD      LYS  57  -2.268  -7.253 -11.464
  453    HD3  LYS  57           1HD      LYS  57  -1.563  -5.653 -11.718
  454    HE2  LYS  57           2HE      LYS  57   0.448  -6.330 -10.514
  455    HE3  LYS  57           1HE      LYS  57  -0.262  -7.913 -10.192
  456    HZ1  LYS  57           3HZ      LYS  57   0.325  -6.835 -12.896
  457    HZ2  LYS  57           1HZ      LYS  57  -0.268  -8.380 -12.535
  458    HZ3  LYS  57           2HZ      LYS  57   1.298  -7.946 -12.057
  459    H    TYR  58           H        TYR  58  -6.338  -5.851  -8.363
  460    HA   TYR  58           HA       TYR  58  -7.867  -3.776  -9.513
  461    HB2  TYR  58           2HB      TYR  58  -8.831  -5.922  -9.592
  462    HB3  TYR  58           1HB      TYR  58  -8.536  -6.211  -7.880
  463    HD1  TYR  58           1HD      TYR  58 -10.312  -3.611  -9.905
  464    HD2  TYR  58           2HD      TYR  58 -10.425  -6.287  -6.607
  465    HE1  TYR  58           1HE      TYR  58 -12.577  -2.836  -9.367
  466    HE2  TYR  58           2HE      TYR  58 -12.690  -5.531  -6.059
  467    HH   TYR  58           HH       TYR  58 -14.105  -3.523  -6.427
  468    H    ILE  59           H        ILE  59  -7.527  -4.855  -6.117
  469    HA   ILE  59           HA       ILE  59  -9.140  -2.841  -5.035
  470    HB   ILE  59           HB       ILE  59  -6.901  -4.324  -3.651
  471   HG12  ILE  59          2HG1      ILE  59  -9.872  -4.898  -3.719
  472   HG13  ILE  59          1HG1      ILE  59  -8.659  -5.771  -4.645
  473   HG21  ILE  59          1HG2      ILE  59  -7.598  -2.302  -2.459
  474   HG22  ILE  59          2HG2      ILE  59  -8.073  -3.761  -1.593
  475   HG23  ILE  59          3HG2      ILE  59  -9.274  -2.849  -2.507
  476   HD11  ILE  59          3HD1      ILE  59  -7.621  -6.542  -2.594
  477   HD12  ILE  59          1HD1      ILE  59  -9.324  -6.991  -2.658
  478   HD13  ILE  59          2HD1      ILE  59  -8.808  -5.640  -1.648
  479    H    VAL  60           H        VAL  60  -5.627  -2.961  -5.551
  480    HA   VAL  60           HA       VAL  60  -5.055  -0.581  -4.143
  481    HB   VAL  60           HB       VAL  60  -3.327  -2.270  -4.652
  482   HG11  VAL  60          1HG1      VAL  60  -2.256  -2.319  -6.845
  483   HG12  VAL  60          2HG1      VAL  60  -3.479  -1.209  -7.469
  484   HG13  VAL  60          3HG1      VAL  60  -3.942  -2.827  -6.936
  485   HG21  VAL  60          3HG2      VAL  60  -1.520  -0.711  -5.196
  486   HG22  VAL  60          1HG2      VAL  60  -2.637  -0.041  -4.009
  487   HG23  VAL  60          2HG2      VAL  60  -2.713   0.492  -5.690
  488    H    ARG  61           H        ARG  61  -5.940  -1.167  -7.520
  489    HA   ARG  61           HA       ARG  61  -5.331   1.465  -8.399
  490    HB2  ARG  61           2HB      ARG  61  -7.060  -0.722  -9.512
  491    HB3  ARG  61           1HB      ARG  61  -7.012   0.866 -10.263
  492    HG2  ARG  61           2HG      ARG  61  -4.611   0.647 -10.610
  493    HG3  ARG  61           1HG      ARG  61  -4.637  -0.931  -9.822
  494    HD2  ARG  61           2HD      ARG  61  -6.132  -0.206 -12.338
  495    HD3  ARG  61           1HD      ARG  61  -4.624  -1.117 -12.273
  496    HE   ARG  61           HE       ARG  61  -6.173  -2.614 -10.721
  497   HH11  ARG  61          1HH1      ARG  61  -6.835  -1.130 -13.829
  498   HH12  ARG  61          2HH1      ARG  61  -7.953  -2.365 -14.326
  499   HH21  ARG  61          1HH2      ARG  61  -7.653  -4.255 -11.392
  500   HH22  ARG  61          2HH2      ARG  61  -8.412  -4.140 -12.952
  501    H    LEU  62           H        LEU  62  -8.173   0.004  -6.933
  502    HA   LEU  62           HA       LEU  62  -9.803   2.338  -7.318
  503    HB2  LEU  62           2HB      LEU  62 -10.128  -0.122  -5.616
  504    HB3  LEU  62           1HB      LEU  62 -11.291   1.191  -5.603
  505    HG   LEU  62           HG       LEU  62 -10.591  -0.614  -7.910
  506   HD11  LEU  62          1HD1      LEU  62 -12.103  -1.574  -6.294
  507   HD12  LEU  62          2HD1      LEU  62 -12.971  -1.182  -7.780
  508   HD13  LEU  62          3HD1      LEU  62 -13.127  -0.140  -6.365
  509   HD21  LEU  62          3HD2      LEU  62 -10.858   1.669  -8.740
  510   HD22  LEU  62          1HD2      LEU  62 -12.404   1.800  -7.900
  511   HD23  LEU  62          2HD2      LEU  62 -12.214   0.651  -9.226
  512    H    LEU  63           H        LEU  63  -7.699   1.091  -4.820
  513    HA   LEU  63           HA       LEU  63  -8.468   3.054  -2.880
  514    HB2  LEU  63           2HB      LEU  63  -6.232   1.070  -2.989
  515    HB3  LEU  63           1HB      LEU  63  -6.466   2.165  -1.636
  516    HG   LEU  63           HG       LEU  63  -8.444   0.083  -2.591
  517   HD11  LEU  63          1HD1      LEU  63  -7.978  -1.038  -0.491
  518   HD12  LEU  63          2HD1      LEU  63  -6.764   0.179  -0.101
  519   HD13  LEU  63          3HD1      LEU  63  -6.520  -0.899  -1.475
  520   HD21  LEU  63          3HD2      LEU  63  -9.537   2.081  -1.683
  521   HD22  LEU  63          1HD2      LEU  63  -8.582   1.931  -0.210
  522   HD23  LEU  63          2HD2      LEU  63  -9.752   0.681  -0.633
  523    H    SER  64           H        SER  64  -6.434   3.011  -5.562
  524    HA   SER  64           HA       SER  64  -5.304   5.595  -4.719
  525    HB2  SER  64           2HB      SER  64  -4.108   3.658  -6.727
  526    HB3  SER  64           1HB      SER  64  -3.403   5.183  -6.197
  527    HG   SER  64           HG       SER  64  -4.031   3.503  -4.133
  528    H    LYS  65           H        LYS  65  -7.562   6.139  -5.492
  529    HA   LYS  65           HA       LYS  65  -8.317   6.030  -8.182
  530    HB2  LYS  65           2HB      LYS  65  -9.033   8.137  -6.142
  531    HB3  LYS  65           1HB      LYS  65  -9.855   7.891  -7.673
  532    HG2  LYS  65           2HG      LYS  65 -10.560   5.671  -6.943
  533    HG3  LYS  65           1HG      LYS  65  -9.718   5.908  -5.411
  534    HD2  LYS  65           2HD      LYS  65 -11.996   6.388  -4.991
  535    HD3  LYS  65           1HD      LYS  65 -11.176   7.946  -5.067
  536    HE2  LYS  65           2HE      LYS  65 -11.940   8.211  -7.397
  537    HE3  LYS  65           1HE      LYS  65 -12.784   6.666  -7.281
  538    HZ1  LYS  65           3HZ      LYS  65 -13.435   9.231  -5.973
  539    HZ2  LYS  65           1HZ      LYS  65 -13.950   7.773  -5.279
  540    HZ3  LYS  65           2HZ      LYS  65 -14.443   8.188  -6.845
  541    H    LYS  66           H        LYS  66  -6.425   6.514  -9.396
  542    HA   LYS  66           HA       LYS  66  -5.704   9.348  -9.459
  543    HB2  LYS  66           2HB      LYS  66  -3.824   8.663 -10.902
  544    HB3  LYS  66           1HB      LYS  66  -3.807   7.847  -9.347
  545    HG2  LYS  66           2HG      LYS  66  -4.642   5.818 -10.348
  546    HG3  LYS  66           1HG      LYS  66  -4.835   6.628 -11.905
  547    HD2  LYS  66           2HD      LYS  66  -2.795   5.292 -11.886
  548    HD3  LYS  66           1HD      LYS  66  -2.403   7.009 -11.988
  549    HE2  LYS  66           2HE      LYS  66  -2.063   7.002  -9.517
  550    HE3  LYS  66           1HE      LYS  66  -2.273   5.253  -9.544
  551    HZ1  LYS  66           3HZ      LYS  66   0.060   5.872  -9.577
  552    HZ2  LYS  66           1HZ      LYS  66  -0.171   6.767 -11.001
  553    HZ3  LYS  66           2HZ      LYS  66  -0.368   5.082 -11.021
  554    H    VAL  67           H        VAL  67  -8.116   7.778 -10.588
  555    HA   VAL  67           HA       VAL  67  -8.014   8.522 -13.387
  556    HB   VAL  67           HB       VAL  67 -10.365   7.751 -13.462
  557   HG11  VAL  67          1HG1      VAL  67  -8.541   5.805 -12.054
  558   HG12  VAL  67          2HG1      VAL  67  -8.520   6.155 -13.784
  559   HG13  VAL  67          3HG1      VAL  67  -9.937   5.400 -13.053
  560   HG21  VAL  67          3HG2      VAL  67  -9.988   7.190 -10.520
  561   HG22  VAL  67          1HG2      VAL  67 -11.373   6.706 -11.492
  562   HG23  VAL  67          2HG2      VAL  67 -11.050   8.416 -11.211
  563    H    LYS  68           H        LYS  68  -7.927  10.382 -10.937
  564    HA   LYS  68           HA       LYS  68 -10.190  12.137 -11.572
  565    HB2  LYS  68           2HB      LYS  68  -8.281  12.206  -9.223
  566    HB3  LYS  68           1HB      LYS  68  -9.688  13.239  -9.439
  567    HG2  LYS  68           2HG      LYS  68 -11.179  11.394  -9.208
  568    HG3  LYS  68           1HG      LYS  68  -9.840  10.243  -9.243
  569    HD2  LYS  68           2HD      LYS  68 -10.692  10.617  -6.965
  570    HD3  LYS  68           1HD      LYS  68  -9.008  11.111  -7.135
  571    HE2  LYS  68           2HE      LYS  68  -9.738  13.440  -7.405
  572    HE3  LYS  68           1HE      LYS  68 -11.412  12.930  -7.177
  573    HZ1  LYS  68           3HZ      LYS  68 -10.828  12.153  -4.957
  574    HZ2  LYS  68           1HZ      LYS  68 -10.470  13.802  -5.136
  575    HZ3  LYS  68           2HZ      LYS  68  -9.223  12.648  -5.182
  576    H    ASN  69           H        ASN  69  -6.814  11.773 -11.945
  577    HA   ASN  69           HA       ASN  69  -6.532  14.619 -12.616
  578    HB2  ASN  69           2HB      ASN  69  -4.086  14.307 -12.312
  579    HB3  ASN  69           1HB      ASN  69  -5.002  14.011 -10.846
  580   HD21  ASN  69          1HD2      ASN  69  -4.653  11.708 -13.523
  581   HD22  ASN  69          2HD2      ASN  69  -3.742  10.555 -12.616
  582    H    MET  70           H        MET  70  -4.673  14.895 -14.312
  583    HA   MET  70           HA       MET  70  -4.809  12.791 -16.332
  584    HB2  MET  70           2HB      MET  70  -6.455  14.534 -16.948
  585    HB3  MET  70           1HB      MET  70  -5.178  15.742 -16.910
  586    HG2  MET  70           2HG      MET  70  -5.713  15.019 -19.184
  587    HG3  MET  70           1HG      MET  70  -4.046  14.653 -18.744
  588    HE1  MET  70           3HE      MET  70  -7.398  11.476 -18.833
  589    HE2  MET  70           1HE      MET  70  -7.657  13.153 -19.322
  590    HE3  MET  70           2HE      MET  70  -7.303  12.769 -17.637
  Start of MODEL   15
    1    H1   ALA   1           1HT      ALA   1  20.477   1.692   6.349
    2    H2   ALA   1           2HT      ALA   1  20.164   3.171   7.115
    3    H3   ALA   1           3HT      ALA   1  21.729   2.803   6.585
    4    HA   ALA   1           HA       ALA   1  20.676   4.368   5.089
    5    HB1  ALA   1           1HB      ALA   1  21.041   3.160   3.010
    6    HB2  ALA   1           2HB      ALA   1  20.959   1.621   3.864
    7    HB3  ALA   1           3HB      ALA   1  22.285   2.740   4.184
    8    H    SER   2           H        SER   2  19.045   1.200   4.772
    9    HA   SER   2           HA       SER   2  16.587   2.529   3.979
   10    HB2  SER   2           2HB      SER   2  17.164  -0.412   4.441
   11    HB3  SER   2           1HB      SER   2  15.693   0.246   3.731
   12    HG   SER   2           HG       SER   2  17.358  -0.546   2.223
   13    H    ASN   3           H        ASN   3  14.961   2.977   5.314
   14    HA   ASN   3           HA       ASN   3  15.180   2.898   8.091
   15    HB2  ASN   3           2HB      ASN   3  13.620   4.362   6.800
   16    HB3  ASN   3           1HB      ASN   3  12.612   2.952   6.487
   17   HD21  ASN   3          1HD2      ASN   3  11.441   2.034   8.201
   18   HD22  ASN   3          2HD2      ASN   3  11.146   2.899   9.678
   19    H    PHE   4           H        PHE   4  13.142   0.885   6.007
   20    HA   PHE   4           HA       PHE   4  13.479  -1.314   7.910
   21    HB2  PHE   4           2HB      PHE   4  11.076  -1.896   7.616
   22    HB3  PHE   4           1HB      PHE   4  11.318  -0.341   8.396
   23    HD1  PHE   4           1HD      PHE   4  10.917   1.761   7.144
   24    HD2  PHE   4           2HD      PHE   4   9.941  -2.055   5.524
   25    HE1  PHE   4           1HE      PHE   4   9.469   2.841   5.471
   26    HE2  PHE   4           2HE      PHE   4   8.501  -0.977   3.855
   27    HZ   PHE   4           HZ       PHE   4   8.258   1.474   3.826
   28    H    ASP   5           H        ASP   5  12.261  -3.311   6.713
   29    HA   ASP   5           HA       ASP   5  12.341  -3.010   3.828
   30    HB2  ASP   5           2HB      ASP   5  14.463  -4.091   4.350
   31    HB3  ASP   5           1HB      ASP   5  13.630  -5.365   5.246
   32    H    CYS   6           H        CYS   6  10.410  -3.371   3.167
   33    HA   CYS   6           HA       CYS   6   8.354  -3.985   4.921
   34    HB2  CYS   6           2HB      CYS   6   6.906  -3.892   2.893
   35    HB3  CYS   6           1HB      CYS   6   7.943  -2.501   3.128
   36    H    CYS   7           H        CYS   7   6.490  -5.487   4.053
   37    HA   CYS   7           HA       CYS   7   6.934  -7.830   5.270
   38    HB2  CYS   7           2HB      CYS   7   5.014  -7.353   3.001
   39    HB3  CYS   7           1HB      CYS   7   4.944  -8.724   4.103
   40    H    LEU   8           H        LEU   8   8.745  -8.959   4.812
   41    HA   LEU   8           HA       LEU   8   9.515  -9.962   2.305
   42    HB2  LEU   8           2HB      LEU   8   9.925 -11.227   5.021
   43    HB3  LEU   8           1HB      LEU   8  10.847 -11.567   3.567
   44    HG   LEU   8           HG       LEU   8  10.799  -8.887   4.956
   45   HD11  LEU   8          1HD1      LEU   8  12.889 -11.059   5.040
   46   HD12  LEU   8          2HD1      LEU   8  11.823 -10.597   6.368
   47   HD13  LEU   8          3HD1      LEU   8  13.024  -9.455   5.764
   48   HD21  LEU   8          3HD2      LEU   8  12.544  -9.992   2.757
   49   HD22  LEU   8          1HD2      LEU   8  12.737  -8.420   3.534
   50   HD23  LEU   8          2HD2      LEU   8  11.297  -8.757   2.574
   51    H    GLY   9           H        GLY   9   7.321 -11.126   4.781
   52    HA2  GLY   9           2HA      GLY   9   6.550 -13.357   3.025
   53    HA3  GLY   9           1HA      GLY   9   6.292 -13.304   4.760
   54    H    TYR  10           H        TYR  10   5.270 -12.021   1.685
   55    HA   TYR  10           HA       TYR  10   2.906 -10.804   2.833
   56    HB2  TYR  10           2HB      TYR  10   2.416 -10.234   0.389
   57    HB3  TYR  10           1HB      TYR  10   3.784  -9.452   1.161
   58    HD1  TYR  10           1HD      TYR  10   4.556 -12.821   0.406
   59    HD2  TYR  10           2HD      TYR  10   4.209  -8.977  -1.341
   60    HE1  TYR  10           1HE      TYR  10   6.022 -13.543  -1.451
   61    HE2  TYR  10           2HE      TYR  10   5.675  -9.663  -3.195
   62    HH   TYR  10           HH       TYR  10   7.529 -11.437  -3.495
   63    H    THR  11           H        THR  11   0.730 -11.287   1.942
   64    HA   THR  11           HA       THR  11   0.441 -14.147   2.354
   65    HB   THR  11           HB       THR  11  -0.715 -12.570   3.837
   66    HG1  THR  11           1HG      THR  11  -1.599 -14.711   3.365
   67   HG21  THR  11          3HG2      THR  11  -1.223 -10.786   2.303
   68   HG22  THR  11          1HG2      THR  11  -2.724 -11.385   3.008
   69   HG23  THR  11          2HG2      THR  11  -2.275 -11.844   1.364
   70    H    ASP  12           H        ASP  12  -0.708 -15.531   1.130
   71    HA   ASP  12           HA       ASP  12  -1.396 -14.656  -1.582
   72    HB2  ASP  12           2HB      ASP  12   0.345 -16.417  -1.454
   73    HB3  ASP  12           1HB      ASP  12  -0.762 -17.445  -0.554
   74    H    ARG  13           H        ARG  13  -3.331 -13.812  -0.590
   75    HA   ARG  13           HA       ARG  13  -5.401 -15.887  -0.218
   76    HB2  ARG  13           2HB      ARG  13  -5.209 -13.147   1.051
   77    HB3  ARG  13           1HB      ARG  13  -6.624 -14.184   1.151
   78    HG2  ARG  13           2HG      ARG  13  -5.297 -15.886   2.313
   79    HG3  ARG  13           1HG      ARG  13  -3.887 -14.826   2.231
   80    HD2  ARG  13           2HD      ARG  13  -5.063 -13.144   3.545
   81    HD3  ARG  13           1HD      ARG  13  -6.494 -14.174   3.608
   82    HE   ARG  13           HE       ARG  13  -4.468 -15.714   4.637
   83   HH11  ARG  13          1HH1      ARG  13  -5.925 -12.632   5.428
   84   HH12  ARG  13          2HH1      ARG  13  -5.548 -12.731   7.121
   85   HH21  ARG  13          1HH2      ARG  13  -3.960 -15.861   6.853
   86   HH22  ARG  13          2HH2      ARG  13  -4.402 -14.575   7.933
   87    H    ILE  14           H        ILE  14  -7.649 -14.646  -0.422
   88    HA   ILE  14           HA       ILE  14  -7.515 -12.599  -2.529
   89    HB   ILE  14           HB       ILE  14  -9.564 -14.790  -2.207
   90   HG12  ILE  14          2HG1      ILE  14  -7.406 -15.107  -3.579
   91   HG13  ILE  14          1HG1      ILE  14  -8.933 -15.523  -4.349
   92   HG21  ILE  14          1HG2      ILE  14  -9.752 -12.358  -3.976
   93   HG22  ILE  14          2HG2      ILE  14 -10.740 -12.677  -2.551
   94   HG23  ILE  14          3HG2      ILE  14 -10.879 -13.717  -3.969
   95   HD11  ILE  14          3HD1      ILE  14  -8.940 -13.339  -5.463
   96   HD12  ILE  14          1HD1      ILE  14  -7.538 -14.324  -5.892
   97   HD13  ILE  14          2HD1      ILE  14  -7.364 -12.992  -4.747
   98    H    LEU  15           H        LEU  15  -7.529 -10.909  -1.029
   99    HA   LEU  15           HA       LEU  15  -9.854 -10.728   0.751
  100    HB2  LEU  15           2HB      LEU  15  -7.310  -9.104   0.587
  101    HB3  LEU  15           1HB      LEU  15  -8.678  -8.624   1.580
  102    HG   LEU  15           HG       LEU  15  -7.354  -9.654   3.134
  103   HD11  LEU  15          1HD1      LEU  15  -8.931 -11.967   2.022
  104   HD12  LEU  15          2HD1      LEU  15  -9.497 -10.772   3.191
  105   HD13  LEU  15          3HD1      LEU  15  -8.208 -11.893   3.630
  106   HD21  LEU  15          3HD2      LEU  15  -5.930 -11.584   2.734
  107   HD22  LEU  15          1HD2      LEU  15  -5.587 -10.284   1.592
  108   HD23  LEU  15          2HD2      LEU  15  -6.523 -11.688   1.074
  109    H    HIS  16           H        HIS  16 -10.970  -8.553   0.791
  110    HA   HIS  16           HA       HIS  16 -10.971  -7.328  -1.896
  111    HB2  HIS  16           2HB      HIS  16 -13.450  -7.980  -0.301
  112    HB3  HIS  16           1HB      HIS  16 -13.390  -7.231  -1.885
  113    HD1  HIS  16           1HD      HIS  16 -15.043  -9.644  -1.503
  114    HD2  HIS  16           2HD      HIS  16 -11.056  -9.832  -2.660
  115    HE1  HIS  16           1HE      HIS  16 -14.784 -11.846  -2.575
  116    HE2  HIS  16           2HE      HIS  16 -12.477 -11.811  -3.600
  117    HA   PRO  17           HA       PRO  17 -11.699  -3.380   0.238
  118    HB2  PRO  17           2HB      PRO  17 -14.059  -2.540  -0.937
  119    HB3  PRO  17           1HB      PRO  17 -12.454  -2.270  -1.622
  120    HG2  PRO  17           2HG      PRO  17 -14.470  -4.372  -2.285
  121    HG3  PRO  17           1HG      PRO  17 -13.401  -3.462  -3.370
  122    HD2  PRO  17           2HD      PRO  17 -12.874  -6.012  -2.664
  123    HD3  PRO  17           1HD      PRO  17 -11.573  -4.816  -2.900
  124    H    LYS  18           H        LYS  18 -13.965  -5.914  -0.077
  125    HA   LYS  18           HA       LYS  18 -16.013  -5.505   1.654
  126    HB2  LYS  18           2HB      LYS  18 -14.282  -7.937   1.204
  127    HB3  LYS  18           1HB      LYS  18 -15.706  -8.003   2.218
  128    HG2  LYS  18           2HG      LYS  18 -16.466  -6.813  -0.228
  129    HG3  LYS  18           1HG      LYS  18 -15.515  -8.254  -0.593
  130    HD2  LYS  18           2HD      LYS  18 -17.841  -8.177   1.308
  131    HD3  LYS  18           1HD      LYS  18 -17.951  -8.705  -0.366
  132    HE2  LYS  18           2HE      LYS  18 -16.376 -10.501   0.120
  133    HE3  LYS  18           1HE      LYS  18 -16.251  -9.944   1.789
  134    HZ1  LYS  18           3HZ      LYS  18 -18.749 -10.288   1.876
  135    HZ2  LYS  18           1HZ      LYS  18 -17.787 -11.683   1.836
  136    HZ3  LYS  18           2HZ      LYS  18 -18.582 -11.160   0.437
  137    H    PHE  19           H        PHE  19 -12.632  -6.047   2.494
  138    HA   PHE  19           HA       PHE  19 -13.350  -5.740   5.334
  139    HB2  PHE  19           2HB      PHE  19 -11.008  -7.411   4.468
  140    HB3  PHE  19           1HB      PHE  19 -11.881  -7.442   5.994
  141    HD1  PHE  19           2HD      PHE  19 -14.486  -8.069   5.691
  142    HD2  PHE  19           1HD      PHE  19 -11.335  -9.157   3.044
  143    HE1  PHE  19           2HE      PHE  19 -15.846  -9.936   4.850
  144    HE2  PHE  19           1HE      PHE  19 -12.690 -11.028   2.198
  145    HZ   PHE  19           HZ       PHE  19 -14.947 -11.420   3.106
  146    H    ILE  20           H        ILE  20 -11.920  -4.240   2.858
  147    HA   ILE  20           HA       ILE  20  -9.475  -3.418   4.231
  148    HB   ILE  20           HB       ILE  20 -10.437  -3.286   1.414
  149   HG12  ILE  20          2HG1      ILE  20  -8.240  -4.029   0.868
  150   HG13  ILE  20          1HG1      ILE  20  -7.597  -3.543   2.426
  151   HG21  ILE  20          1HG2      ILE  20  -8.512  -1.248   2.530
  152   HG22  ILE  20          2HG2      ILE  20 -10.103  -0.932   1.838
  153   HG23  ILE  20          3HG2      ILE  20  -8.803  -1.539   0.814
  154   HD11  ILE  20          3HD1      ILE  20  -8.812  -5.341   3.506
  155   HD12  ILE  20          1HD1      ILE  20  -7.795  -5.966   2.209
  156   HD13  ILE  20          2HD1      ILE  20  -9.535  -5.799   1.964
  157    H    VAL  21           H        VAL  21  -9.429  -1.637   5.449
  158    HA   VAL  21           HA       VAL  21 -11.351   0.509   4.820
  159    HB   VAL  21           HB       VAL  21 -11.276   1.171   7.211
  160   HG11  VAL  21          1HG1      VAL  21 -12.700  -0.637   8.051
  161   HG12  VAL  21          2HG1      VAL  21 -12.192  -1.653   6.702
  162   HG13  VAL  21          3HG1      VAL  21 -13.117  -0.182   6.398
  163   HG21  VAL  21          3HG2      VAL  21  -9.127   0.172   7.819
  164   HG22  VAL  21          1HG2      VAL  21  -9.809  -1.440   7.608
  165   HG23  VAL  21          2HG2      VAL  21 -10.414  -0.388   8.886
  166    H    GLY  22           H        GLY  22  -8.214  -0.365   4.656
  167    HA2  GLY  22           2HA      GLY  22  -7.335   2.356   4.291
  168    HA3  GLY  22           1HA      GLY  22  -6.575   1.542   5.654
  169    H    PHE  23           H        PHE  23  -5.201   2.489   3.353
  170    HA   PHE  23           HA       PHE  23  -3.945   0.008   2.440
  171    HB2  PHE  23           2HB      PHE  23  -5.400   0.118   0.698
  172    HB3  PHE  23           1HB      PHE  23  -5.573   1.864   0.788
  173    HD1  PHE  23           2HD      PHE  23  -3.473  -0.887  -0.391
  174    HD2  PHE  23           1HD      PHE  23  -4.166   3.295  -0.371
  175    HE1  PHE  23           2HE      PHE  23  -1.879  -0.627  -2.238
  176    HE2  PHE  23           1HE      PHE  23  -2.569   3.571  -2.230
  177    HZ   PHE  23           HZ       PHE  23  -1.428   1.583  -3.133
  178    H    THR  24           H        THR  24  -1.865   0.221   2.268
  179    HA   THR  24           HA       THR  24  -0.628   2.809   1.726
  180    HB   THR  24           HB       THR  24   0.215   1.095   4.072
  181    HG1  THR  24           1HG      THR  24  -1.226   3.560   3.969
  182   HG21  THR  24          3HG2      THR  24   1.185   3.798   3.119
  183   HG22  THR  24          1HG2      THR  24   2.086   2.283   3.068
  184   HG23  THR  24          2HG2      THR  24   1.683   3.016   4.620
  185    H    ARG  25           H        ARG  25   0.317   2.126  -0.212
  186    HA   ARG  25           HA       ARG  25   1.471  -0.489  -0.403
  187    HB2  ARG  25           2HB      ARG  25   2.289   0.220  -2.616
  188    HB3  ARG  25           1HB      ARG  25   0.566   0.495  -2.408
  189    HG2  ARG  25           2HG      ARG  25   0.816   2.801  -2.318
  190    HG3  ARG  25           1HG      ARG  25   2.536   2.699  -1.934
  191    HD2  ARG  25           2HD      ARG  25   2.167   3.424  -4.246
  192    HD3  ARG  25           1HD      ARG  25   3.009   1.878  -4.174
  193    HE   ARG  25           HE       ARG  25   0.115   1.803  -4.530
  194   HH11  ARG  25          1HH1      ARG  25   3.293   1.574  -5.971
  195   HH12  ARG  25          2HH1      ARG  25   2.729   0.797  -7.413
  196   HH21  ARG  25          1HH2      ARG  25  -0.645   0.816  -6.482
  197   HH22  ARG  25          2HH2      ARG  25   0.497   0.381  -7.712
  198    H    GLN  26           H        GLN  26   3.423  -1.115   0.119
  199    HA   GLN  26           HA       GLN  26   5.310   0.891   1.109
  200    HB2  GLN  26           2HB      GLN  26   4.328  -1.345   2.274
  201    HB3  GLN  26           1HB      GLN  26   5.771  -2.000   1.521
  202    HG2  GLN  26           2HG      GLN  26   7.118  -1.048   3.004
  203    HG3  GLN  26           1HG      GLN  26   6.239   0.480   2.959
  204   HE21  GLN  26          1HE2      GLN  26   6.348  -2.709   4.384
  205   HE22  GLN  26          2HE2      GLN  26   5.339  -2.361   5.743
  206    H    LEU  27           H        LEU  27   7.225   1.226   0.060
  207    HA   LEU  27           HA       LEU  27   7.798  -0.580  -2.197
  208    HB2  LEU  27           2HB      LEU  27   7.960   2.432  -2.228
  209    HB3  LEU  27           1HB      LEU  27   8.501   1.385  -3.521
  210    HG   LEU  27           HG       LEU  27   5.984   0.564  -3.462
  211   HD11  LEU  27          1HD1      LEU  27   4.466   2.422  -2.983
  212   HD12  LEU  27          2HD1      LEU  27   5.821   3.372  -2.376
  213   HD13  LEU  27          3HD1      LEU  27   5.330   1.899  -1.538
  214   HD21  LEU  27          3HD2      LEU  27   6.892   3.162  -4.698
  215   HD22  LEU  27          1HD2      LEU  27   5.480   2.226  -5.189
  216   HD23  LEU  27          2HD2      LEU  27   7.098   1.551  -5.386
  217    H    ALA  28           H        ALA  28   9.924  -0.765  -2.854
  218    HA   ALA  28           HA       ALA  28  11.957  -0.567  -0.922
  219    HB1  ALA  28           1HB      ALA  28  12.213  -0.801  -3.919
  220    HB2  ALA  28           2HB      ALA  28  12.001  -2.149  -2.801
  221    HB3  ALA  28           3HB      ALA  28  13.467  -1.167  -2.737
  222    H    ASN  29           H        ASN  29  10.639   1.638  -3.131
  223    HA   ASN  29           HA       ASN  29  12.849   3.339  -3.592
  224    HB2  ASN  29           2HB      ASN  29   9.880   3.660  -3.915
  225    HB3  ASN  29           1HB      ASN  29  10.973   5.004  -4.212
  226   HD21  ASN  29          1HD2      ASN  29  11.796   1.664  -4.909
  227   HD22  ASN  29          2HD2      ASN  29  11.795   1.837  -6.627
  228    H    GLU  30           H        GLU  30  10.636   3.089  -0.929
  229    HA   GLU  30           HA       GLU  30  11.418   5.760  -0.010
  230    HB2  GLU  30           2HB      GLU  30   9.554   5.537   1.598
  231    HB3  GLU  30           1HB      GLU  30   9.046   5.450  -0.081
  232    HG2  GLU  30           2HG      GLU  30   8.904   3.006   0.100
  233    HG3  GLU  30           1HG      GLU  30   9.386   3.116   1.791
  234    H    GLY  31           H        GLY  31  11.642   2.362   0.836
  235    HA2  GLY  31           2HA      GLY  31  13.800   2.514   2.484
  236    HA3  GLY  31           1HA      GLY  31  12.456   2.899   3.547
  237    H    CYS  32           H        CYS  32  12.490   0.668   0.863
  238    HA   CYS  32           HA       CYS  32  12.516  -1.633   2.652
  239    HB2  CYS  32           2HB      CYS  32  10.146  -1.223   1.984
  240    HB3  CYS  32           1HB      CYS  32  10.625  -1.244   0.292
  241    H    ASP  33           H        ASP  33  12.939  -3.650   1.030
  242    HA   ASP  33           HA       ASP  33  14.578  -2.620  -1.198
  243    HB2  ASP  33           2HB      ASP  33  16.003  -3.805   0.377
  244    HB3  ASP  33           1HB      ASP  33  14.917  -5.193   0.369
  245    H    ILE  34           H        ILE  34  12.219  -4.991  -0.154
  246    HA   ILE  34           HA       ILE  34  11.591  -5.612  -2.946
  247    HB   ILE  34           HB       ILE  34   9.901  -7.161  -2.007
  248   HG12  ILE  34          2HG1      ILE  34  11.038  -6.327   0.674
  249   HG13  ILE  34          1HG1      ILE  34   9.418  -5.964   0.081
  250   HG21  ILE  34          1HG2      ILE  34  11.502  -8.785  -1.059
  251   HG22  ILE  34          2HG2      ILE  34  12.694  -7.491  -0.931
  252   HG23  ILE  34          3HG2      ILE  34  12.106  -7.993  -2.515
  253   HD11  ILE  34          3HD1      ILE  34   9.369  -7.806   1.645
  254   HD12  ILE  34          1HD1      ILE  34  10.524  -8.700   0.658
  255   HD13  ILE  34          2HD1      ILE  34   8.912  -8.354   0.032
  256    H    ASN  35           H        ASN  35   8.741  -5.897  -2.496
  257    HA   ASN  35           HA       ASN  35   7.820  -3.352  -1.482
  258    HB2  ASN  35           2HB      ASN  35   6.494  -2.874  -3.583
  259    HB3  ASN  35           1HB      ASN  35   8.224  -2.599  -3.704
  260   HD21  ASN  35          1HD2      ASN  35   9.453  -3.887  -5.047
  261   HD22  ASN  35          2HD2      ASN  35   8.752  -4.978  -6.187
  262    H    ALA  36           H        ALA  36   5.810  -3.422  -0.711
  263    HA   ALA  36           HA       ALA  36   4.146  -5.759  -1.284
  264    HB1  ALA  36           1HB      ALA  36   4.968  -4.966   1.508
  265    HB2  ALA  36           2HB      ALA  36   5.518  -6.397   0.636
  266    HB3  ALA  36           3HB      ALA  36   3.821  -6.237   1.086
  267    H    ILE  37           H        ILE  37   1.957  -5.432  -0.968
  268    HA   ILE  37           HA       ILE  37   1.160  -2.631  -0.690
  269    HB   ILE  37           HB       ILE  37  -0.495  -5.026  -1.500
  270   HG12  ILE  37          2HG1      ILE  37   1.300  -4.615  -3.117
  271   HG13  ILE  37          1HG1      ILE  37  -0.256  -4.159  -3.803
  272   HG21  ILE  37          1HG2      ILE  37  -1.039  -2.067  -1.591
  273   HG22  ILE  37          2HG2      ILE  37  -1.888  -3.279  -0.633
  274   HG23  ILE  37          3HG2      ILE  37  -2.035  -3.282  -2.391
  275   HD11  ILE  37          3HD1      ILE  37   0.233  -1.811  -3.351
  276   HD12  ILE  37          1HD1      ILE  37   1.473  -2.546  -4.369
  277   HD13  ILE  37          2HD1      ILE  37   1.788  -2.266  -2.656
  278    H    ILE  38           H        ILE  38   0.796  -2.022   1.384
  279    HA   ILE  38           HA       ILE  38  -0.086  -3.989   3.321
  280    HB   ILE  38           HB       ILE  38   0.382  -1.038   3.768
  281   HG12  ILE  38          2HG1      ILE  38   2.418  -2.108   2.891
  282   HG13  ILE  38          1HG1      ILE  38   2.611  -1.642   4.575
  283   HG21  ILE  38          1HG2      ILE  38  -0.942  -2.091   5.502
  284   HG22  ILE  38          2HG2      ILE  38   0.663  -1.697   6.116
  285   HG23  ILE  38          3HG2      ILE  38   0.266  -3.362   5.687
  286   HD11  ILE  38          3HD1      ILE  38   2.247  -3.953   5.259
  287   HD12  ILE  38          1HD1      ILE  38   3.599  -3.809   4.133
  288   HD13  ILE  38          2HD1      ILE  38   2.042  -4.418   3.569
  289    H    PHE  39           H        PHE  39  -2.224  -4.494   2.925
  290    HA   PHE  39           HA       PHE  39  -4.168  -2.318   2.790
  291    HB2  PHE  39           2HB      PHE  39  -4.480  -5.319   2.623
  292    HB3  PHE  39           1HB      PHE  39  -5.853  -4.224   2.711
  293    HD1  PHE  39           2HD      PHE  39  -4.994  -2.041   0.884
  294    HD2  PHE  39           1HD      PHE  39  -4.593  -6.268   0.570
  295    HE1  PHE  39           2HE      PHE  39  -4.962  -1.857  -1.584
  296    HE2  PHE  39           1HE      PHE  39  -4.553  -6.092  -1.871
  297    HZ   PHE  39           HZ       PHE  39  -4.735  -3.908  -2.944
  298    H    HIS  40           H        HIS  40  -5.120  -1.537   4.540
  299    HA   HIS  40           HA       HIS  40  -4.665  -2.922   7.084
  300    HB2  HIS  40           2HB      HIS  40  -5.873  -0.173   6.691
  301    HB3  HIS  40           1HB      HIS  40  -5.195  -0.845   8.169
  302    HD1  HIS  40           1HD      HIS  40  -2.842  -0.118   8.657
  303    HD2  HIS  40           2HD      HIS  40  -3.769   0.127   4.614
  304    HE1  HIS  40           1HE      HIS  40  -0.870   1.000   7.554
  305    HE2  HIS  40           2HE      HIS  40  -1.600   1.408   5.198
  306    H    THR  41           H        THR  41  -6.199  -4.356   7.571
  307    HA   THR  41           HA       THR  41  -8.790  -4.182   6.345
  308    HB   THR  41           HB       THR  41  -9.251  -6.302   7.580
  309    HG1  THR  41           1HG      THR  41  -6.497  -6.297   8.262
  310   HG21  THR  41          3HG2      THR  41  -7.645  -7.660   6.295
  311   HG22  THR  41          1HG2      THR  41  -6.717  -6.203   5.943
  312   HG23  THR  41          2HG2      THR  41  -8.359  -6.376   5.320
  313    H    LYS  42           H        LYS  42 -10.788  -4.434   7.551
  314    HA   LYS  42           HA       LYS  42 -11.019  -2.668   9.793
  315    HB2  LYS  42           2HB      LYS  42 -12.806  -3.165   8.029
  316    HB3  LYS  42           1HB      LYS  42 -13.058  -4.697   8.856
  317    HG2  LYS  42           2HG      LYS  42 -13.842  -3.627  10.814
  318    HG3  LYS  42           1HG      LYS  42 -13.285  -2.048  10.257
  319    HD2  LYS  42           2HD      LYS  42 -15.679  -2.184   9.995
  320    HD3  LYS  42           1HD      LYS  42 -14.920  -2.167   8.401
  321    HE2  LYS  42           2HE      LYS  42 -15.125  -4.630   8.324
  322    HE3  LYS  42           1HE      LYS  42 -15.968  -4.585   9.871
  323    HZ1  LYS  42           3HZ      LYS  42 -17.617  -3.073   8.746
  324    HZ2  LYS  42           1HZ      LYS  42 -17.613  -4.681   8.197
  325    HZ3  LYS  42           2HZ      LYS  42 -16.868  -3.468   7.276
  326    H    LYS  43           H        LYS  43  -9.815  -5.675   9.449
  327    HA   LYS  43           HA       LYS  43 -10.567  -6.745  12.015
  328    HB2  LYS  43           2HB      LYS  43  -9.475  -7.785   9.631
  329    HB3  LYS  43           1HB      LYS  43  -8.227  -7.973  10.854
  330    HG2  LYS  43           2HG      LYS  43  -9.429  -9.970  10.894
  331    HG3  LYS  43           1HG      LYS  43 -10.024  -9.066  12.286
  332    HD2  LYS  43           2HD      LYS  43 -11.977  -8.358  10.995
  333    HD3  LYS  43           1HD      LYS  43 -11.367  -9.238   9.592
  334    HE2  LYS  43           2HE      LYS  43 -11.499 -11.332  10.869
  335    HE3  LYS  43           1HE      LYS  43 -12.144 -10.440  12.247
  336    HZ1  LYS  43           3HZ      LYS  43 -13.936 -11.454  11.049
  337    HZ2  LYS  43           1HZ      LYS  43 -13.433 -10.760   9.584
  338    HZ3  LYS  43           2HZ      LYS  43 -14.028  -9.779  10.830
  339    H    LYS  44           H        LYS  44  -8.950  -4.178  11.305
  340    HA   LYS  44           HA       LYS  44  -7.092  -3.027  11.815
  341    HB2  LYS  44           2HB      LYS  44  -6.484  -2.970  14.219
  342    HB3  LYS  44           1HB      LYS  44  -8.190  -2.734  13.905
  343    HG2  LYS  44           2HG      LYS  44  -8.698  -4.943  14.679
  344    HG3  LYS  44           1HG      LYS  44  -6.982  -5.332  14.819
  345    HD2  LYS  44           2HD      LYS  44  -6.690  -3.772  16.594
  346    HD3  LYS  44           1HD      LYS  44  -8.297  -3.090  16.341
  347    HE2  LYS  44           2HE      LYS  44  -7.790  -5.940  17.182
  348    HE3  LYS  44           1HE      LYS  44  -8.096  -4.619  18.312
  349    HZ1  LYS  44           3HZ      LYS  44 -10.220  -4.243  17.104
  350    HZ2  LYS  44           1HZ      LYS  44 -10.135  -5.730  17.917
  351    HZ3  LYS  44           2HZ      LYS  44  -9.937  -5.672  16.231
  352    H    LEU  45           H        LEU  45  -6.574  -5.513  10.578
  353    HA   LEU  45           HA       LEU  45  -3.840  -5.963  11.572
  354    HB2  LEU  45           2HB      LEU  45  -5.616  -7.840   9.999
  355    HB3  LEU  45           1HB      LEU  45  -3.947  -8.156  10.427
  356    HG   LEU  45           HG       LEU  45  -6.199  -7.816  12.410
  357   HD11  LEU  45          1HD1      LEU  45  -6.465  -9.851  11.102
  358   HD12  LEU  45          2HD1      LEU  45  -5.982 -10.224  12.757
  359   HD13  LEU  45          3HD1      LEU  45  -4.797 -10.305  11.453
  360   HD21  LEU  45          3HD2      LEU  45  -4.557  -8.691  14.018
  361   HD22  LEU  45          1HD2      LEU  45  -4.050  -7.151  13.322
  362   HD23  LEU  45          2HD2      LEU  45  -3.323  -8.655  12.758
  363    H    SER  46           H        SER  46  -2.244  -5.427  10.181
  364    HA   SER  46           HA       SER  46  -2.991  -4.337   7.610
  365    HB2  SER  46           2HB      SER  46  -0.407  -3.922   7.548
  366    HB3  SER  46           1HB      SER  46  -1.419  -2.969   8.633
  367    HG   SER  46           HG       SER  46   0.228  -5.193   9.269
  368    H    VAL  47           H        VAL  47  -3.340  -5.705   6.048
  369    HA   VAL  47           HA       VAL  47  -2.086  -8.290   5.932
  370    HB   VAL  47           HB       VAL  47  -4.073  -6.877   4.148
  371   HG11  VAL  47          1HG1      VAL  47  -2.709  -8.380   2.778
  372   HG12  VAL  47          2HG1      VAL  47  -4.361  -8.977   2.948
  373   HG13  VAL  47          3HG1      VAL  47  -3.056  -9.705   3.889
  374   HG21  VAL  47          3HG2      VAL  47  -4.922  -7.585   6.319
  375   HG22  VAL  47          1HG2      VAL  47  -4.349  -9.225   6.016
  376   HG23  VAL  47          2HG2      VAL  47  -5.631  -8.541   5.019
  377    H    CYS  48           H        CYS  48  -0.272  -8.773   4.842
  378    HA   CYS  48           HA       CYS  48   0.971  -6.735   3.217
  379    HB2  CYS  48           2HB      CYS  48   1.944  -9.523   3.869
  380    HB3  CYS  48           1HB      CYS  48   2.893  -8.229   3.139
  381    H    ALA  49           H        ALA  49  -0.341  -6.594   1.484
  382    HA   ALA  49           HA       ALA  49  -1.231  -8.893   0.023
  383    HB1  ALA  49           1HB      ALA  49  -1.351  -5.941  -0.588
  384    HB2  ALA  49           2HB      ALA  49  -2.610  -6.913   0.170
  385    HB3  ALA  49           3HB      ALA  49  -2.169  -7.204  -1.511
  386    H    ASN  50           H        ASN  50  -0.383  -9.777  -1.783
  387    HA   ASN  50           HA       ASN  50   2.337  -9.115  -2.457
  388    HB2  ASN  50           2HB      ASN  50   0.419 -11.065  -3.760
  389    HB3  ASN  50           1HB      ASN  50   2.127 -10.929  -4.136
  390   HD21  ASN  50          1HD2      ASN  50   0.953 -10.688  -0.852
  391   HD22  ASN  50          2HD2      ASN  50   1.559 -12.228  -0.344
  392    HA   PRO  51           HA       PRO  51   1.203  -6.600  -6.043
  393    HB2  PRO  51           2HB      PRO  51   4.044  -6.732  -6.707
  394    HB3  PRO  51           1HB      PRO  51   3.074  -5.323  -6.276
  395    HG2  PRO  51           2HG      PRO  51   4.986  -6.320  -4.645
  396    HG3  PRO  51           1HG      PRO  51   3.523  -5.531  -4.030
  397    HD2  PRO  51           2HD      PRO  51   4.147  -8.457  -4.250
  398    HD3  PRO  51           1HD      PRO  51   3.360  -7.563  -2.923
  399    H    LYS  52           H        LYS  52   1.944  -9.654  -5.690
  400    HA   LYS  52           HA       LYS  52   2.696 -10.407  -8.384
  401    HB2  LYS  52           2HB      LYS  52   3.622 -12.125  -7.292
  402    HB3  LYS  52           1HB      LYS  52   3.043 -11.424  -5.785
  403    HG2  LYS  52           2HG      LYS  52   1.056 -12.699  -5.854
  404    HG3  LYS  52           1HG      LYS  52   1.417 -13.271  -7.485
  405    HD2  LYS  52           2HD      LYS  52   3.282 -14.550  -6.705
  406    HD3  LYS  52           1HD      LYS  52   3.177 -13.823  -5.099
  407    HE2  LYS  52           2HE      LYS  52   1.016 -15.527  -6.329
  408    HE3  LYS  52           1HE      LYS  52   2.269 -16.146  -5.252
  409    HZ1  LYS  52           3HZ      LYS  52   0.277 -14.051  -4.563
  410    HZ2  LYS  52           1HZ      LYS  52   1.485 -14.640  -3.532
  411    HZ3  LYS  52           2HZ      LYS  52   0.233 -15.664  -4.045
  412    H    GLN  53           H        GLN  53  -0.152  -9.853  -6.659
  413    HA   GLN  53           HA       GLN  53  -1.670 -11.823  -8.231
  414    HB2  GLN  53           2HB      GLN  53  -3.220 -11.702  -6.143
  415    HB3  GLN  53           1HB      GLN  53  -1.737 -12.649  -6.056
  416    HG2  GLN  53           2HG      GLN  53  -0.642 -10.552  -5.137
  417    HG3  GLN  53           1HG      GLN  53  -2.272  -9.938  -4.929
  418   HE21  GLN  53          1HE2      GLN  53  -2.106  -9.830  -2.737
  419   HE22  GLN  53          2HE2      GLN  53  -2.039 -11.242  -1.729
  420    H    THR  54           H        THR  54  -3.839 -11.231  -8.795
  421    HA   THR  54           HA       THR  54  -3.835  -8.423  -9.523
  422    HB   THR  54           HB       THR  54  -5.871  -9.235 -10.908
  423    HG1  THR  54           1HG      THR  54  -4.465 -11.696 -10.694
  424   HG21  THR  54          3HG2      THR  54  -4.305  -9.957 -12.700
  425   HG22  THR  54          1HG2      THR  54  -3.013  -9.974 -11.502
  426   HG23  THR  54          2HG2      THR  54  -3.828  -8.458 -11.900
  427    H    TRP  55           H        TRP  55  -5.653 -10.471  -7.355
  428    HA   TRP  55           HA       TRP  55  -7.911  -8.806  -7.147
  429    HB2  TRP  55           2HB      TRP  55  -8.365  -9.804  -5.033
  430    HB3  TRP  55           1HB      TRP  55  -7.785 -11.053  -6.117
  431    HD1  TRP  55           HD       TRP  55  -5.438 -12.080  -5.558
  432    HE1  TRP  55           1HE      TRP  55  -4.033 -12.140  -3.453
  433    HE3  TRP  55           3HE      TRP  55  -7.732  -8.424  -3.167
  434    HZ2  TRP  55           2HZ      TRP  55  -3.939 -10.713  -0.963
  435    HZ3  TRP  55           3HZ      TRP  55  -7.001  -7.787  -1.020
  436    HH2  TRP  55           HH       TRP  55  -5.171  -8.873   0.128
  437    H    VAL  56           H        VAL  56  -4.740  -8.699  -5.832
  438    HA   VAL  56           HA       VAL  56  -5.013  -6.376  -4.274
  439    HB   VAL  56           HB       VAL  56  -2.674  -7.668  -5.664
  440   HG11  VAL  56          1HG1      VAL  56  -2.616  -5.279  -3.842
  441   HG12  VAL  56          2HG1      VAL  56  -2.249  -5.285  -5.567
  442   HG13  VAL  56          3HG1      VAL  56  -1.210  -6.159  -4.441
  443   HG21  VAL  56          3HG2      VAL  56  -3.383  -7.395  -2.749
  444   HG22  VAL  56          1HG2      VAL  56  -2.005  -8.269  -3.417
  445   HG23  VAL  56          2HG2      VAL  56  -3.646  -8.832  -3.737
  446    H    LYS  57           H        LYS  57  -4.011  -6.935  -7.638
  447    HA   LYS  57           HA       LYS  57  -3.475  -4.329  -8.400
  448    HB2  LYS  57           2HB      LYS  57  -4.671  -6.528 -10.072
  449    HB3  LYS  57           1HB      LYS  57  -4.028  -5.025 -10.711
  450    HG2  LYS  57           2HG      LYS  57  -2.625  -7.404  -9.682
  451    HG3  LYS  57           1HG      LYS  57  -2.216  -6.309 -10.996
  452    HD2  LYS  57           2HD      LYS  57  -1.624  -4.596  -9.263
  453    HD3  LYS  57           1HD      LYS  57  -1.823  -5.879  -8.066
  454    HE2  LYS  57           2HE      LYS  57   0.511  -5.624  -8.653
  455    HE3  LYS  57           1HE      LYS  57  -0.097  -7.189  -9.189
  456    HZ1  LYS  57           3HZ      LYS  57   1.325  -6.031 -10.839
  457    HZ2  LYS  57           1HZ      LYS  57   0.143  -4.815 -10.965
  458    HZ3  LYS  57           2HZ      LYS  57  -0.216  -6.406 -11.420
  459    H    TYR  58           H        TYR  58  -6.566  -6.013  -8.262
  460    HA   TYR  58           HA       TYR  58  -8.082  -3.950  -9.430
  461    HB2  TYR  58           2HB      TYR  58  -9.185  -5.983  -9.436
  462    HB3  TYR  58           1HB      TYR  58  -8.706  -6.369  -7.787
  463    HD1  TYR  58           1HD      TYR  58 -10.660  -3.654  -9.477
  464    HD2  TYR  58           2HD      TYR  58 -10.441  -6.466  -6.291
  465    HE1  TYR  58           1HE      TYR  58 -12.837  -2.879  -8.648
  466    HE2  TYR  58           2HE      TYR  58 -12.617  -5.704  -5.461
  467    HH   TYR  58           HH       TYR  58 -14.702  -3.748  -7.265
  468    H    ILE  59           H        ILE  59  -7.588  -4.861  -6.009
  469    HA   ILE  59           HA       ILE  59  -9.189  -2.818  -4.953
  470    HB   ILE  59           HB       ILE  59  -6.856  -4.190  -3.603
  471   HG12  ILE  59          2HG1      ILE  59  -9.813  -4.824  -3.507
  472   HG13  ILE  59          1HG1      ILE  59  -8.619  -5.735  -4.422
  473   HG21  ILE  59          1HG2      ILE  59  -7.507  -2.134  -2.474
  474   HG22  ILE  59          2HG2      ILE  59  -7.976  -3.542  -1.524
  475   HG23  ILE  59          3HG2      ILE  59  -9.190  -2.664  -2.452
  476   HD11  ILE  59          3HD1      ILE  59  -9.161  -6.845  -2.346
  477   HD12  ILE  59          1HD1      ILE  59  -8.677  -5.413  -1.435
  478   HD13  ILE  59          2HD1      ILE  59  -7.477  -6.323  -2.357
  479    H    VAL  60           H        VAL  60  -5.668  -2.924  -5.536
  480    HA   VAL  60           HA       VAL  60  -5.238  -0.309  -4.494
  481    HB   VAL  60           HB       VAL  60  -3.417  -1.992  -4.642
  482   HG11  VAL  60          1HG1      VAL  60  -3.911  -2.933  -6.832
  483   HG12  VAL  60          2HG1      VAL  60  -2.258  -2.320  -6.786
  484   HG13  VAL  60          3HG1      VAL  60  -3.521  -1.397  -7.604
  485   HG21  VAL  60          3HG2      VAL  60  -2.857   0.345  -4.352
  486   HG22  VAL  60          1HG2      VAL  60  -2.894   0.598  -6.097
  487   HG23  VAL  60          2HG2      VAL  60  -1.664  -0.444  -5.384
  488    H    ARG  61           H        ARG  61  -6.288  -1.511  -7.567
  489    HA   ARG  61           HA       ARG  61  -5.742   0.790  -9.127
  490    HB2  ARG  61           2HB      ARG  61  -6.330  -1.358 -10.141
  491    HB3  ARG  61           1HB      ARG  61  -7.929  -1.283  -9.420
  492    HG2  ARG  61           2HG      ARG  61  -8.477   0.653 -10.780
  493    HG3  ARG  61           1HG      ARG  61  -6.853   0.645 -11.468
  494    HD2  ARG  61           2HD      ARG  61  -8.491  -0.388 -12.969
  495    HD3  ARG  61           1HD      ARG  61  -7.250  -1.530 -12.458
  496    HE   ARG  61           HE       ARG  61  -9.286  -1.897 -10.679
  497   HH11  ARG  61          1HH1      ARG  61  -9.020  -1.996 -14.164
  498   HH12  ARG  61          2HH1      ARG  61 -10.247  -3.202 -14.354
  499   HH21  ARG  61          1HH2      ARG  61 -10.924  -3.485 -10.931
  500   HH22  ARG  61          2HH2      ARG  61 -11.341  -4.040 -12.515
  501    H    LEU  62           H        LEU  62  -8.290  -0.061  -6.894
  502    HA   LEU  62           HA       LEU  62  -9.768   2.376  -7.457
  503    HB2  LEU  62           2HB      LEU  62 -10.178   0.056  -5.612
  504    HB3  LEU  62           1HB      LEU  62 -11.037   1.556  -5.320
  505    HG   LEU  62           HG       LEU  62 -12.025   1.396  -7.587
  506   HD11  LEU  62          1HD1      LEU  62 -10.697  -1.308  -7.636
  507   HD12  LEU  62          2HD1      LEU  62 -10.314   0.061  -8.680
  508   HD13  LEU  62          3HD1      LEU  62 -11.889  -0.726  -8.800
  509   HD21  LEU  62          3HD2      LEU  62 -13.253   0.598  -5.662
  510   HD22  LEU  62          1HD2      LEU  62 -12.457  -0.970  -5.776
  511   HD23  LEU  62          2HD2      LEU  62 -13.560  -0.447  -7.049
  512    H    LEU  63           H        LEU  63  -7.563   1.117  -5.060
  513    HA   LEU  63           HA       LEU  63  -7.921   3.332  -3.271
  514    HB2  LEU  63           2HB      LEU  63  -6.051   0.989  -3.256
  515    HB3  LEU  63           1HB      LEU  63  -6.062   2.221  -2.005
  516    HG   LEU  63           HG       LEU  63  -8.407   0.467  -2.737
  517   HD11  LEU  63          1HD1      LEU  63  -6.632  -0.795  -1.653
  518   HD12  LEU  63          2HD1      LEU  63  -8.026  -0.611  -0.587
  519   HD13  LEU  63          3HD1      LEU  63  -6.591   0.383  -0.343
  520   HD21  LEU  63          3HD2      LEU  63  -9.038   2.698  -1.905
  521   HD22  LEU  63          1HD2      LEU  63  -8.076   2.406  -0.456
  522   HD23  LEU  63          2HD2      LEU  63  -9.491   1.408  -0.790
  523    H    SER  64           H        SER  64  -6.325   3.158  -6.122
  524    HA   SER  64           HA       SER  64  -4.133   4.889  -5.283
  525    HB2  SER  64           2HB      SER  64  -3.606   4.809  -7.803
  526    HB3  SER  64           1HB      SER  64  -3.394   3.321  -6.879
  527    HG   SER  64           HG       SER  64  -5.092   2.449  -7.827
  528    H    LYS  65           H        LYS  65  -7.121   5.003  -7.165
  529    HA   LYS  65           HA       LYS  65  -6.724   7.890  -7.526
  530    HB2  LYS  65           2HB      LYS  65  -8.403   7.766  -9.303
  531    HB3  LYS  65           1HB      LYS  65  -7.087   6.641  -9.596
  532    HG2  LYS  65           2HG      LYS  65  -8.499   4.813  -8.733
  533    HG3  LYS  65           1HG      LYS  65  -9.827   5.961  -8.546
  534    HD2  LYS  65           2HD      LYS  65  -9.586   6.472 -11.003
  535    HD3  LYS  65           1HD      LYS  65  -8.476   5.107 -11.101
  536    HE2  LYS  65           2HE      LYS  65 -11.396   5.083 -10.407
  537    HE3  LYS  65           1HE      LYS  65 -10.587   4.283 -11.754
  538    HZ1  LYS  65           3HZ      LYS  65  -9.356   3.002  -9.949
  539    HZ2  LYS  65           1HZ      LYS  65 -10.982   2.600 -10.224
  540    HZ3  LYS  65           2HZ      LYS  65 -10.555   3.566  -8.895
  541    H    LYS  66           H        LYS  66  -7.301   7.400  -5.061
  542    HA   LYS  66           HA       LYS  66  -9.941   7.207  -4.220
  543    HB2  LYS  66           2HB      LYS  66  -7.716   8.832  -2.967
  544    HB3  LYS  66           1HB      LYS  66  -9.173   8.276  -2.156
  545    HG2  LYS  66           2HG      LYS  66  -8.491   5.982  -2.383
  546    HG3  LYS  66           1HG      LYS  66  -7.101   6.454  -3.357
  547    HD2  LYS  66           2HD      LYS  66  -7.549   7.237  -0.479
  548    HD3  LYS  66           1HD      LYS  66  -6.502   5.927  -1.024
  549    HE2  LYS  66           2HE      LYS  66  -5.233   7.636  -2.359
  550    HE3  LYS  66           1HE      LYS  66  -6.178   8.882  -1.546
  551    HZ1  LYS  66           3HZ      LYS  66  -4.183   8.669  -0.343
  552    HZ2  LYS  66           1HZ      LYS  66  -4.247   6.977  -0.340
  553    HZ3  LYS  66           2HZ      LYS  66  -5.345   7.865   0.591
  554    H    VAL  67           H        VAL  67 -11.553   8.391  -4.973
  555    HA   VAL  67           HA       VAL  67 -11.117  11.234  -5.543
  556    HB   VAL  67           HB       VAL  67 -13.286  11.121  -6.786
  557   HG11  VAL  67          1HG1      VAL  67 -11.165  10.959  -7.955
  558   HG12  VAL  67          2HG1      VAL  67 -12.374   9.926  -8.719
  559   HG13  VAL  67          3HG1      VAL  67 -11.130   9.219  -7.686
  560   HG21  VAL  67          3HG2      VAL  67 -14.154   8.900  -7.397
  561   HG22  VAL  67          1HG2      VAL  67 -14.287   9.216  -5.666
  562   HG23  VAL  67          2HG2      VAL  67 -13.010   8.160  -6.274
  563    H    LYS  68           H        LYS  68 -12.322  12.827  -4.658
  564    HA   LYS  68           HA       LYS  68 -13.886  12.061  -2.285
  565    HB2  LYS  68           2HB      LYS  68 -12.606  14.726  -2.921
  566    HB3  LYS  68           1HB      LYS  68 -13.358  14.264  -1.401
  567    HG2  LYS  68           2HG      LYS  68 -11.615  12.675  -0.959
  568    HG3  LYS  68           1HG      LYS  68 -10.913  12.941  -2.555
  569    HD2  LYS  68           2HD      LYS  68  -9.555  14.227  -1.179
  570    HD3  LYS  68           1HD      LYS  68 -10.708  15.407  -1.800
  571    HE2  LYS  68           2HE      LYS  68 -10.836  14.040   0.889
  572    HE3  LYS  68           1HE      LYS  68 -10.319  15.697   0.600
  573    HZ1  LYS  68           3HZ      LYS  68 -12.529  15.841   1.301
  574    HZ2  LYS  68           1HZ      LYS  68 -13.033  14.549   0.327
  575    HZ3  LYS  68           2HZ      LYS  68 -12.621  16.035  -0.378
  576    H    ASN  69           H        ASN  69 -14.494  12.758  -5.358
  577    HA   ASN  69           HA       ASN  69 -16.515  14.819  -4.898
  578    HB2  ASN  69           2HB      ASN  69 -14.973  15.140  -6.782
  579    HB3  ASN  69           1HB      ASN  69 -15.528  13.630  -7.495
  580   HD21  ASN  69          1HD2      ASN  69 -17.374  13.611  -8.665
  581   HD22  ASN  69          2HD2      ASN  69 -18.348  15.003  -8.970
  582    H    MET  70           H        MET  70 -16.425  11.812  -6.844
  583    HA   MET  70           HA       MET  70 -19.204  11.344  -5.996
  584    HB2  MET  70           2HB      MET  70 -17.768  10.409  -8.490
  585    HB3  MET  70           1HB      MET  70 -19.369   9.864  -8.015
  586    HG2  MET  70           2HG      MET  70 -18.597  12.698  -8.664
  587    HG3  MET  70           1HG      MET  70 -19.454  11.590  -9.730
  588    HE1  MET  70           3HE      MET  70 -21.362  13.382 -10.095
  589    HE2  MET  70           1HE      MET  70 -20.506  14.506  -9.038
  590    HE3  MET  70           2HE      MET  70 -22.221  14.188  -8.781
  Start of MODEL   16
    1    H1   ALA   1           1HT      ALA   1  18.325   5.794   7.628
    2    H2   ALA   1           2HT      ALA   1  18.312   4.600   6.429
    3    H3   ALA   1           3HT      ALA   1  17.297   4.456   7.779
    4    HA   ALA   1           HA       ALA   1  16.196   6.564   7.069
    5    HB1  ALA   1           1HB      ALA   1  17.990   7.345   5.590
    6    HB2  ALA   1           2HB      ALA   1  16.453   7.210   4.733
    7    HB3  ALA   1           3HB      ALA   1  17.691   5.975   4.518
    8    H    SER   2           H        SER   2  14.493   5.206   7.528
    9    HA   SER   2           HA       SER   2  13.317   3.953   5.170
   10    HB2  SER   2           2HB      SER   2  13.591   2.454   7.796
   11    HB3  SER   2           1HB      SER   2  12.776   1.871   6.344
   12    HG   SER   2           HG       SER   2  15.206   2.588   5.617
   13    H    ASN   3           H        ASN   3  11.170   4.361   5.058
   14    HA   ASN   3           HA       ASN   3   9.918   5.861   7.211
   15    HB2  ASN   3           2HB      ASN   3   9.599   6.439   4.778
   16    HB3  ASN   3           1HB      ASN   3   8.727   4.924   4.586
   17   HD21  ASN   3          1HD2      ASN   3   7.869   7.712   4.203
   18   HD22  ASN   3          2HD2      ASN   3   6.469   7.907   5.199
   19    H    PHE   4           H        PHE   4   9.527   2.802   5.530
   20    HA   PHE   4           HA       PHE   4   8.056   1.775   7.853
   21    HB2  PHE   4           2HB      PHE   4   6.713   0.389   6.235
   22    HB3  PHE   4           1HB      PHE   4   6.398   2.117   6.165
   23    HD1  PHE   4           2HD      PHE   4   8.363  -0.564   4.522
   24    HD2  PHE   4           1HD      PHE   4   6.526   3.256   4.154
   25    HE1  PHE   4           2HE      PHE   4   8.836  -0.577   2.113
   26    HE2  PHE   4           1HE      PHE   4   6.997   3.247   1.742
   27    HZ   PHE   4           HZ       PHE   4   8.145   1.328   0.724
   28    H    ASP   5           H        ASP   5   7.821  -0.825   7.184
   29    HA   ASP   5           HA       ASP   5  10.443  -1.729   6.253
   30    HB2  ASP   5           2HB      ASP   5  10.509  -1.684   8.716
   31    HB3  ASP   5           1HB      ASP   5   9.081  -2.710   8.773
   32    H    CYS   6           H        CYS   6   9.780  -2.641   4.390
   33    HA   CYS   6           HA       CYS   6   7.749  -4.036   3.544
   34    HB2  CYS   6           2HB      CYS   6   9.250  -5.362   2.206
   35    HB3  CYS   6           1HB      CYS   6   9.925  -3.752   2.391
   36    H    CYS   7           H        CYS   7   6.823  -6.055   3.644
   37    HA   CYS   7           HA       CYS   7   7.077  -7.558   6.046
   38    HB2  CYS   7           2HB      CYS   7   5.659  -8.281   3.475
   39    HB3  CYS   7           1HB      CYS   7   5.356  -8.930   5.071
   40    H    LEU   8           H        LEU   8   7.935  -9.671   6.281
   41    HA   LEU   8           HA       LEU   8  10.067 -10.396   4.534
   42    HB2  LEU   8           2HB      LEU   8   8.705 -11.969   6.724
   43    HB3  LEU   8           1HB      LEU   8  10.165 -12.480   5.901
   44    HG   LEU   8           HG       LEU   8   9.858 -10.056   7.669
   45   HD11  LEU   8          1HD1      LEU   8   9.996 -12.164   8.879
   46   HD12  LEU   8          2HD1      LEU   8  11.470 -11.216   9.089
   47   HD13  LEU   8          3HD1      LEU   8  11.455 -12.590   7.985
   48   HD21  LEU   8          3HD2      LEU   8  12.245 -11.021   6.100
   49   HD22  LEU   8          1HD2      LEU   8  12.285  -9.764   7.337
   50   HD23  LEU   8          2HD2      LEU   8  11.363  -9.514   5.855
   51    H    GLY   9           H        GLY   9   6.761 -10.779   4.290
   52    HA2  GLY   9           2HA      GLY   9   6.947 -12.143   1.832
   53    HA3  GLY   9           1HA      GLY   9   6.410 -13.263   3.078
   54    H    TYR  10           H        TYR  10   4.849 -12.531   0.852
   55    HA   TYR  10           HA       TYR  10   2.730 -10.995   2.173
   56    HB2  TYR  10           2HB      TYR  10   1.869 -10.809  -0.306
   57    HB3  TYR  10           1HB      TYR  10   3.049  -9.684   0.350
   58    HD1  TYR  10           1HD      TYR  10   3.099 -13.045  -1.224
   59    HD2  TYR  10           2HD      TYR  10   4.712  -9.135  -1.085
   60    HE1  TYR  10           1HE      TYR  10   4.658 -13.643  -3.046
   61    HE2  TYR  10           2HE      TYR  10   6.290  -9.697  -2.892
   62    HH   TYR  10           HH       TYR  10   7.359 -11.934  -3.762
   63    H    THR  11           H        THR  11   0.475 -11.643   1.580
   64    HA   THR  11           HA       THR  11   0.370 -14.469   2.231
   65    HB   THR  11           HB       THR  11  -0.798 -12.684   3.573
   66    HG1  THR  11           1HG      THR  11  -1.377 -14.980   3.588
   67   HG21  THR  11          3HG2      THR  11  -2.710 -12.702   1.239
   68   HG22  THR  11          1HG2      THR  11  -1.698 -11.348   1.745
   69   HG23  THR  11          2HG2      THR  11  -2.994 -11.921   2.794
   70    H    ASP  12           H        ASP  12  -0.858 -16.012   1.220
   71    HA   ASP  12           HA       ASP  12  -1.535 -15.493  -1.575
   72    HB2  ASP  12           2HB      ASP  12  -0.059 -17.446  -0.809
   73    HB3  ASP  12           1HB      ASP  12  -1.526 -18.163  -0.155
   74    H    ARG  13           H        ARG  13  -3.321 -14.198  -0.523
   75    HA   ARG  13           HA       ARG  13  -5.743 -15.876  -0.320
   76    HB2  ARG  13           2HB      ARG  13  -5.201 -13.302   1.175
   77    HB3  ARG  13           1HB      ARG  13  -6.683 -14.243   1.248
   78    HG2  ARG  13           2HG      ARG  13  -5.465 -16.108   2.263
   79    HG3  ARG  13           1HG      ARG  13  -3.974 -15.168   2.198
   80    HD2  ARG  13           2HD      ARG  13  -4.894 -15.056   4.423
   81    HD3  ARG  13           1HD      ARG  13  -5.027 -13.473   3.659
   82    HE   ARG  13           HE       ARG  13  -7.426 -14.509   3.126
   83   HH11  ARG  13          1HH1      ARG  13  -5.594 -14.470   6.127
   84   HH12  ARG  13          2HH1      ARG  13  -7.014 -14.462   7.129
   85   HH21  ARG  13          1HH2      ARG  13  -9.284 -14.484   4.463
   86   HH22  ARG  13          2HH2      ARG  13  -9.113 -14.444   6.191
   87    H    ILE  14           H        ILE  14  -7.759 -14.355  -0.636
   88    HA   ILE  14           HA       ILE  14  -7.075 -12.043  -2.327
   89    HB   ILE  14           HB       ILE  14  -9.585 -13.724  -2.535
   90   HG12  ILE  14          2HG1      ILE  14  -8.916 -13.827  -4.953
   91   HG13  ILE  14          1HG1      ILE  14  -7.383 -13.093  -4.497
   92   HG21  ILE  14          1HG2      ILE  14  -8.942 -11.081  -3.820
   93   HG22  ILE  14          2HG2      ILE  14 -10.231 -11.410  -2.663
   94   HG23  ILE  14          3HG2      ILE  14 -10.294 -12.115  -4.279
   95   HD11  ILE  14          3HD1      ILE  14  -6.882 -14.963  -3.087
   96   HD12  ILE  14          1HD1      ILE  14  -7.239 -15.508  -4.728
   97   HD13  ILE  14          2HD1      ILE  14  -8.451 -15.685  -3.453
   98    H    LEU  15           H        LEU  15  -6.895 -10.710  -0.637
   99    HA   LEU  15           HA       LEU  15  -8.892 -10.364   1.359
  100    HB2  LEU  15           2HB      LEU  15  -6.522  -8.727   0.451
  101    HB3  LEU  15           1HB      LEU  15  -7.606  -8.165   1.722
  102    HG   LEU  15           HG       LEU  15  -5.712  -9.120   2.791
  103   HD11  LEU  15          1HD1      LEU  15  -7.946 -11.141   2.838
  104   HD12  LEU  15          2HD1      LEU  15  -7.827  -9.694   3.839
  105   HD13  LEU  15          3HD1      LEU  15  -6.660 -11.001   4.034
  106   HD21  LEU  15          3HD2      LEU  15  -4.949 -11.423   2.366
  107   HD22  LEU  15          1HD2      LEU  15  -4.785 -10.395   0.943
  108   HD23  LEU  15          2HD2      LEU  15  -6.109 -11.552   1.043
  109    H    HIS  16           H        HIS  16 -10.160  -8.291   1.564
  110    HA   HIS  16           HA       HIS  16 -11.068  -7.519  -1.123
  111    HB2  HIS  16           2HB      HIS  16 -12.734  -8.583   1.139
  112    HB3  HIS  16           1HB      HIS  16 -13.415  -7.736  -0.245
  113    HD1  HIS  16           1HD      HIS  16 -14.236 -10.554   0.325
  114    HD2  HIS  16           2HD      HIS  16 -11.034  -9.579  -2.123
  115    HE1  HIS  16           1HE      HIS  16 -14.016 -12.433  -1.248
  116    HE2  HIS  16           2HE      HIS  16 -12.307 -11.699  -2.935
  117    HA   PRO  17           HA       PRO  17 -11.894  -3.386   0.415
  118    HB2  PRO  17           2HB      PRO  17 -14.527  -3.736  -0.908
  119    HB3  PRO  17           1HB      PRO  17 -13.328  -2.460  -1.131
  120    HG2  PRO  17           2HG      PRO  17 -13.724  -4.379  -2.970
  121    HG3  PRO  17           1HG      PRO  17 -12.123  -3.681  -2.666
  122    HD2  PRO  17           2HD      PRO  17 -13.212  -6.345  -1.877
  123    HD3  PRO  17           1HD      PRO  17 -11.548  -5.862  -2.279
  124    H    LYS  18           H        LYS  18 -14.156  -6.060   0.579
  125    HA   LYS  18           HA       LYS  18 -15.919  -5.095   2.537
  126    HB2  LYS  18           2HB      LYS  18 -16.784  -7.277   2.608
  127    HB3  LYS  18           1HB      LYS  18 -16.121  -7.123   0.998
  128    HG2  LYS  18           2HG      LYS  18 -14.303  -8.484   1.487
  129    HG3  LYS  18           1HG      LYS  18 -14.619  -8.422   3.221
  130    HD2  LYS  18           2HD      LYS  18 -15.317 -10.560   2.158
  131    HD3  LYS  18           1HD      LYS  18 -16.629  -9.709   2.964
  132    HE2  LYS  18           2HE      LYS  18 -16.160  -9.344   0.025
  133    HE3  LYS  18           1HE      LYS  18 -17.029 -10.756   0.617
  134    HZ1  LYS  18           3HZ      LYS  18 -17.801  -7.900   0.949
  135    HZ2  LYS  18           1HZ      LYS  18 -18.564  -9.184   1.761
  136    HZ3  LYS  18           2HZ      LYS  18 -18.616  -9.093   0.067
  137    H    PHE  19           H        PHE  19 -12.700  -6.136   2.763
  138    HA   PHE  19           HA       PHE  19 -12.910  -6.235   5.704
  139    HB2  PHE  19           2HB      PHE  19 -10.853  -7.602   3.959
  140    HB3  PHE  19           1HB      PHE  19 -10.899  -7.655   5.715
  141    HD1  PHE  19           1HD      PHE  19 -13.744  -8.100   6.250
  142    HD2  PHE  19           2HD      PHE  19 -11.219  -9.771   3.255
  143    HE1  PHE  19           1HE      PHE  19 -15.187 -10.083   6.148
  144    HE2  PHE  19           2HE      PHE  19 -12.661 -11.764   3.151
  145    HZ   PHE  19           HZ       PHE  19 -14.643 -11.922   4.602
  146    H    ILE  20           H        ILE  20 -11.723  -4.444   3.110
  147    HA   ILE  20           HA       ILE  20  -9.316  -3.569   4.536
  148    HB   ILE  20           HB       ILE  20 -10.170  -3.332   1.654
  149   HG12  ILE  20          2HG1      ILE  20  -7.502  -4.275   2.636
  150   HG13  ILE  20          1HG1      ILE  20  -8.894  -5.345   2.791
  151   HG21  ILE  20          1HG2      ILE  20  -8.151  -2.020   1.220
  152   HG22  ILE  20          2HG2      ILE  20  -7.825  -1.946   2.952
  153   HG23  ILE  20          3HG2      ILE  20  -9.260  -1.163   2.289
  154   HD11  ILE  20          3HD1      ILE  20  -7.783  -4.167   0.261
  155   HD12  ILE  20          1HD1      ILE  20  -9.257  -5.133   0.363
  156   HD13  ILE  20          2HD1      ILE  20  -7.702  -5.850   0.785
  157    H    VAL  21           H        VAL  21  -9.212  -1.681   5.528
  158    HA   VAL  21           HA       VAL  21 -11.339   0.281   4.983
  159    HB   VAL  21           HB       VAL  21 -11.286  -0.711   7.278
  160   HG11  VAL  21          1HG1      VAL  21  -8.855  -0.929   7.498
  161   HG12  VAL  21          2HG1      VAL  21  -9.573  -0.059   8.852
  162   HG13  VAL  21          3HG1      VAL  21  -8.718   0.829   7.592
  163   HG21  VAL  21          3HG2      VAL  21 -11.530   1.417   8.478
  164   HG22  VAL  21          1HG2      VAL  21 -12.348   1.427   6.919
  165   HG23  VAL  21          2HG2      VAL  21 -10.804   2.259   7.108
  166    H    GLY  22           H        GLY  22  -8.001  -0.330   4.772
  167    HA2  GLY  22           2HA      GLY  22  -7.509   2.330   3.744
  168    HA3  GLY  22           1HA      GLY  22  -6.647   1.959   5.233
  169    H    PHE  23           H        PHE  23  -5.586   2.481   2.564
  170    HA   PHE  23           HA       PHE  23  -4.051  -0.010   2.204
  171    HB2  PHE  23           2HB      PHE  23  -5.331  -0.242   0.355
  172    HB3  PHE  23           1HB      PHE  23  -5.736   1.473   0.284
  173    HD1  PHE  23           2HD      PHE  23  -3.053  -0.966  -0.362
  174    HD2  PHE  23           1HD      PHE  23  -4.639   2.890  -1.127
  175    HE1  PHE  23           2HE      PHE  23  -1.384  -0.642  -2.126
  176    HE2  PHE  23           1HE      PHE  23  -2.969   3.231  -2.903
  177    HZ   PHE  23           HZ       PHE  23  -1.345   1.449  -3.366
  178    H    THR  24           H        THR  24  -1.957   0.251   2.081
  179    HA   THR  24           HA       THR  24  -0.829   2.843   1.310
  180    HB   THR  24           HB       THR  24   0.206   1.275   3.676
  181    HG1  THR  24           1HG      THR  24  -1.331   3.685   3.673
  182   HG21  THR  24          3HG2      THR  24   1.524   3.294   4.108
  183   HG22  THR  24          1HG2      THR  24   0.844   4.051   2.668
  184   HG23  THR  24          2HG2      THR  24   1.880   2.631   2.514
  185    H    ARG  25           H        ARG  25   0.364   2.331  -0.466
  186    HA   ARG  25           HA       ARG  25   1.324  -0.347  -0.819
  187    HB2  ARG  25           2HB      ARG  25   2.242   0.404  -2.939
  188    HB3  ARG  25           1HB      ARG  25   0.579   0.944  -2.760
  189    HG2  ARG  25           2HG      ARG  25   1.236   3.177  -2.393
  190    HG3  ARG  25           1HG      ARG  25   2.920   2.717  -2.129
  191    HD2  ARG  25           2HD      ARG  25   2.649   3.714  -4.325
  192    HD3  ARG  25           1HD      ARG  25   3.086   2.012  -4.472
  193    HE   ARG  25           HE       ARG  25   0.355   3.061  -4.845
  194   HH11  ARG  25          1HH1      ARG  25   2.864   0.733  -5.561
  195   HH12  ARG  25          2HH1      ARG  25   1.984  -0.016  -6.860
  196   HH21  ARG  25          1HH2      ARG  25  -0.815   2.079  -6.552
  197   HH22  ARG  25          2HH2      ARG  25  -0.106   0.761  -7.423
  198    H    GLN  26           H        GLN  26   3.218  -1.147  -0.364
  199    HA   GLN  26           HA       GLN  26   5.252   0.589   0.829
  200    HB2  GLN  26           2HB      GLN  26   4.883  -1.041   2.385
  201    HB3  GLN  26           1HB      GLN  26   4.320  -2.199   1.193
  202    HG2  GLN  26           2HG      GLN  26   6.828  -2.301   0.513
  203    HG3  GLN  26           1HG      GLN  26   7.086  -1.618   2.117
  204   HE21  GLN  26          1HE2      GLN  26   4.844  -2.897   3.348
  205   HE22  GLN  26          2HE2      GLN  26   5.231  -4.572   3.503
  206    H    LEU  27           H        LEU  27   7.179   0.865  -0.180
  207    HA   LEU  27           HA       LEU  27   7.473  -0.512  -2.765
  208    HB2  LEU  27           2HB      LEU  27   8.275   2.330  -2.143
  209    HB3  LEU  27           1HB      LEU  27   8.394   1.531  -3.698
  210    HG   LEU  27           HG       LEU  27   5.768   1.288  -3.377
  211   HD11  LEU  27          1HD1      LEU  27   4.801   3.213  -2.274
  212   HD12  LEU  27          2HD1      LEU  27   6.403   3.793  -1.823
  213   HD13  LEU  27          3HD1      LEU  27   5.781   2.296  -1.129
  214   HD21  LEU  27          3HD2      LEU  27   7.137   3.836  -4.233
  215   HD22  LEU  27          1HD2      LEU  27   5.497   3.351  -4.660
  216   HD23  LEU  27          2HD2      LEU  27   6.873   2.410  -5.238
  217    H    ALA  28           H        ALA  28   9.715  -0.289  -3.652
  218    HA   ALA  28           HA       ALA  28  11.618  -1.182  -1.645
  219    HB1  ALA  28           1HB      ALA  28  12.959  -1.876  -3.561
  220    HB2  ALA  28           2HB      ALA  28  11.833  -1.069  -4.655
  221    HB3  ALA  28           3HB      ALA  28  11.304  -2.465  -3.716
  222    H    ASN  29           H        ASN  29  10.867   1.621  -1.721
  223    HA   ASN  29           HA       ASN  29  13.426   2.843  -2.511
  224    HB2  ASN  29           2HB      ASN  29  10.689   4.093  -2.860
  225    HB3  ASN  29           1HB      ASN  29  12.228   4.853  -3.247
  226   HD21  ASN  29          1HD2      ASN  29   9.828   2.594  -4.236
  227   HD22  ASN  29          2HD2      ASN  29  10.473   2.266  -5.804
  228    H    GLU  30           H        GLU  30  10.474   3.359  -0.578
  229    HA   GLU  30           HA       GLU  30  11.791   5.413   0.975
  230    HB2  GLU  30           2HB      GLU  30   9.031   4.247   1.341
  231    HB3  GLU  30           1HB      GLU  30   9.638   5.754   2.013
  232    HG2  GLU  30           2HG      GLU  30   9.029   5.122  -0.857
  233    HG3  GLU  30           1HG      GLU  30   8.260   6.320   0.179
  234    H    GLY  31           H        GLY  31  12.913   2.801   1.240
  235    HA2  GLY  31           2HA      GLY  31  13.689   2.654   3.774
  236    HA3  GLY  31           1HA      GLY  31  12.111   1.888   3.880
  237    H    CYS  32           H        CYS  32  11.812  -0.121   3.086
  238    HA   CYS  32           HA       CYS  32  14.113  -1.774   2.955
  239    HB2  CYS  32           2HB      CYS  32  11.982  -2.524   3.920
  240    HB3  CYS  32           1HB      CYS  32  11.238  -2.444   2.329
  241    H    ASP  33           H        ASP  33  14.535  -3.318   1.180
  242    HA   ASP  33           HA       ASP  33  14.513  -1.852  -1.338
  243    HB2  ASP  33           2HB      ASP  33  16.257  -3.366  -2.066
  244    HB3  ASP  33           1HB      ASP  33  16.658  -2.738  -0.471
  245    H    ILE  34           H        ILE  34  12.537  -4.085   0.066
  246    HA   ILE  34           HA       ILE  34  11.737  -5.065  -2.595
  247    HB   ILE  34           HB       ILE  34  10.910  -7.053  -1.741
  248   HG12  ILE  34          2HG1      ILE  34  11.016  -5.956   1.077
  249   HG13  ILE  34          1HG1      ILE  34   9.566  -5.973   0.078
  250   HG21  ILE  34          1HG2      ILE  34  12.643  -8.020  -0.318
  251   HG22  ILE  34          2HG2      ILE  34  13.216  -6.401   0.084
  252   HG23  ILE  34          3HG2      ILE  34  13.345  -6.995  -1.573
  253   HD11  ILE  34          3HD1      ILE  34   9.611  -7.825   1.671
  254   HD12  ILE  34          1HD1      ILE  34  11.110  -8.406   0.945
  255   HD13  ILE  34          2HD1      ILE  34   9.619  -8.396   0.002
  256    H    ASN  35           H        ASN  35   9.240  -5.480  -2.651
  257    HA   ASN  35           HA       ASN  35   7.917  -3.268  -1.256
  258    HB2  ASN  35           2HB      ASN  35   6.780  -2.590  -3.339
  259    HB3  ASN  35           1HB      ASN  35   8.524  -2.387  -3.435
  260   HD21  ASN  35          1HD2      ASN  35   9.701  -3.652  -4.860
  261   HD22  ASN  35          2HD2      ASN  35   8.953  -4.618  -6.083
  262    H    ALA  36           H        ALA  36   5.951  -3.686  -0.508
  263    HA   ALA  36           HA       ALA  36   4.357  -5.812  -1.780
  264    HB1  ALA  36           1HB      ALA  36   3.641  -6.660   0.385
  265    HB2  ALA  36           2HB      ALA  36   4.672  -5.484   1.203
  266    HB3  ALA  36           3HB      ALA  36   5.394  -6.767   0.232
  267    H    ILE  37           H        ILE  37   2.015  -5.650  -1.152
  268    HA   ILE  37           HA       ILE  37   1.225  -2.830  -1.023
  269    HB   ILE  37           HB       ILE  37  -0.391  -5.291  -1.709
  270   HG12  ILE  37          2HG1      ILE  37   1.309  -4.794  -3.391
  271   HG13  ILE  37          1HG1      ILE  37  -0.302  -4.453  -4.013
  272   HG21  ILE  37          1HG2      ILE  37  -1.131  -2.381  -1.910
  273   HG22  ILE  37          2HG2      ILE  37  -1.787  -3.546  -0.762
  274   HG23  ILE  37          3HG2      ILE  37  -2.102  -3.733  -2.488
  275   HD11  ILE  37          3HD1      ILE  37   1.289  -2.747  -4.677
  276   HD12  ILE  37          1HD1      ILE  37   1.662  -2.416  -2.986
  277   HD13  ILE  37          2HD1      ILE  37   0.051  -2.073  -3.617
  278    H    ILE  38           H        ILE  38   0.792  -2.087   1.023
  279    HA   ILE  38           HA       ILE  38   0.010  -4.024   3.048
  280    HB   ILE  38           HB       ILE  38   0.510  -1.064   3.406
  281   HG12  ILE  38          2HG1      ILE  38   2.339  -3.401   4.000
  282   HG13  ILE  38          1HG1      ILE  38   2.502  -2.344   2.600
  283   HG21  ILE  38          1HG2      ILE  38   0.717  -1.663   5.788
  284   HG22  ILE  38          2HG2      ILE  38   0.279  -3.324   5.395
  285   HG23  ILE  38          3HG2      ILE  38  -0.889  -2.026   5.152
  286   HD11  ILE  38          3HD1      ILE  38   2.717  -1.507   5.484
  287   HD12  ILE  38          1HD1      ILE  38   2.887  -0.447   4.085
  288   HD13  ILE  38          2HD1      ILE  38   4.058  -1.735   4.362
  289    H    PHE  39           H        PHE  39  -2.086  -4.577   2.844
  290    HA   PHE  39           HA       PHE  39  -4.078  -2.445   2.675
  291    HB2  PHE  39           2HB      PHE  39  -4.230  -5.430   2.386
  292    HB3  PHE  39           1HB      PHE  39  -5.678  -4.486   2.700
  293    HD1  PHE  39           2HD      PHE  39  -4.991  -2.059   1.036
  294    HD2  PHE  39           1HD      PHE  39  -4.677  -6.232   0.252
  295    HE1  PHE  39           2HE      PHE  39  -5.227  -1.618  -1.388
  296    HE2  PHE  39           1HE      PHE  39  -4.907  -5.805  -2.147
  297    HZ   PHE  39           HZ       PHE  39  -5.180  -3.505  -2.964
  298    H    HIS  40           H        HIS  40  -4.917  -1.644   4.448
  299    HA   HIS  40           HA       HIS  40  -4.449  -3.032   6.988
  300    HB2  HIS  40           2HB      HIS  40  -5.614  -0.264   6.679
  301    HB3  HIS  40           1HB      HIS  40  -4.793  -0.954   8.073
  302    HD1  HIS  40           1HD      HIS  40  -2.402  -0.253   8.338
  303    HD2  HIS  40           2HD      HIS  40  -3.718   0.042   4.409
  304    HE1  HIS  40           1HE      HIS  40  -0.541   0.887   7.058
  305    HE2  HIS  40           2HE      HIS  40  -1.494   1.304   4.781
  306    H    THR  41           H        THR  41  -6.025  -4.346   7.609
  307    HA   THR  41           HA       THR  41  -8.626  -4.129   6.417
  308    HB   THR  41           HB       THR  41  -9.181  -6.141   7.751
  309    HG1  THR  41           1HG      THR  41  -6.448  -6.033   8.560
  310   HG21  THR  41          3HG2      THR  41  -8.235  -6.362   5.509
  311   HG22  THR  41          1HG2      THR  41  -7.663  -7.659   6.564
  312   HG23  THR  41          2HG2      THR  41  -6.606  -6.300   6.183
  313    H    LYS  42           H        LYS  42 -10.574  -3.884   7.453
  314    HA   LYS  42           HA       LYS  42 -10.852  -2.009   9.492
  315    HB2  LYS  42           2HB      LYS  42 -12.567  -2.630   7.852
  316    HB3  LYS  42           1HB      LYS  42 -12.703  -4.223   8.578
  317    HG2  LYS  42           2HG      LYS  42 -13.579  -3.237  10.615
  318    HG3  LYS  42           1HG      LYS  42 -13.394  -1.621   9.919
  319    HD2  LYS  42           2HD      LYS  42 -14.934  -2.206   8.134
  320    HD3  LYS  42           1HD      LYS  42 -15.110  -3.828   8.801
  321    HE2  LYS  42           2HE      LYS  42 -16.086  -2.915  10.822
  322    HE3  LYS  42           1HE      LYS  42 -15.853  -1.275  10.213
  323    HZ1  LYS  42           3HZ      LYS  42 -18.114  -2.041   9.879
  324    HZ2  LYS  42           1HZ      LYS  42 -17.559  -3.351   8.958
  325    HZ3  LYS  42           2HZ      LYS  42 -17.350  -1.759   8.398
  326    H    LYS  43           H        LYS  43 -10.022  -5.303   9.572
  327    HA   LYS  43           HA       LYS  43 -10.846  -5.787  12.277
  328    HB2  LYS  43           2HB      LYS  43  -9.133  -7.461  10.439
  329    HB3  LYS  43           1HB      LYS  43  -9.802  -7.988  11.976
  330    HG2  LYS  43           2HG      LYS  43 -12.065  -7.683  11.095
  331    HG3  LYS  43           1HG      LYS  43 -11.383  -7.192   9.544
  332    HD2  LYS  43           2HD      LYS  43 -10.323  -9.392   9.319
  333    HD3  LYS  43           1HD      LYS  43 -11.012  -9.877  10.871
  334    HE2  LYS  43           2HE      LYS  43 -12.561  -9.101   8.396
  335    HE3  LYS  43           1HE      LYS  43 -12.345 -10.739   9.014
  336    HZ1  LYS  43           3HZ      LYS  43 -13.763  -8.520  10.398
  337    HZ2  LYS  43           1HZ      LYS  43 -13.517 -10.073  11.037
  338    HZ3  LYS  43           2HZ      LYS  43 -14.486  -9.870   9.665
  339    H    LYS  44           H        LYS  44  -8.595  -3.862  11.171
  340    HA   LYS  44           HA       LYS  44  -6.973  -2.714  12.257
  341    HB2  LYS  44           2HB      LYS  44  -7.319  -4.738  14.472
  342    HB3  LYS  44           1HB      LYS  44  -6.339  -3.283  14.574
  343    HG2  LYS  44           2HG      LYS  44  -9.318  -3.363  14.156
  344    HG3  LYS  44           1HG      LYS  44  -8.493  -3.001  15.672
  345    HD2  LYS  44           2HD      LYS  44  -7.434  -1.054  14.612
  346    HD3  LYS  44           1HD      LYS  44  -8.300  -1.411  13.117
  347    HE2  LYS  44           2HE      LYS  44  -9.634  -0.849  15.755
  348    HE3  LYS  44           1HE      LYS  44  -9.339   0.370  14.520
  349    HZ1  LYS  44           3HZ      LYS  44 -11.608  -0.700  14.550
  350    HZ2  LYS  44           1HZ      LYS  44 -10.863  -2.096  13.944
  351    HZ3  LYS  44           2HZ      LYS  44 -10.814  -0.654  13.051
  352    H    LEU  45           H        LEU  45  -6.680  -5.540  10.863
  353    HA   LEU  45           HA       LEU  45  -3.879  -5.985  11.620
  354    HB2  LEU  45           2HB      LEU  45  -5.731  -7.706   9.970
  355    HB3  LEU  45           1HB      LEU  45  -4.081  -8.109  10.406
  356    HG   LEU  45           HG       LEU  45  -6.356  -7.759  12.361
  357   HD11  LEU  45          1HD1      LEU  45  -6.614  -9.744  10.960
  358   HD12  LEU  45          2HD1      LEU  45  -6.226 -10.179  12.624
  359   HD13  LEU  45          3HD1      LEU  45  -4.981 -10.252  11.377
  360   HD21  LEU  45          3HD2      LEU  45  -3.514  -8.696  12.754
  361   HD22  LEU  45          1HD2      LEU  45  -4.779  -8.704  13.984
  362   HD23  LEU  45          2HD2      LEU  45  -4.199  -7.175  13.328
  363    H    SER  46           H        SER  46  -2.252  -5.604  10.237
  364    HA   SER  46           HA       SER  46  -2.924  -4.437   7.648
  365    HB2  SER  46           2HB      SER  46  -0.446  -3.913   7.586
  366    HB3  SER  46           1HB      SER  46  -1.335  -3.149   8.903
  367    HG   SER  46           HG       SER  46   0.204  -5.532   9.086
  368    H    VAL  47           H        VAL  47  -3.127  -5.792   5.995
  369    HA   VAL  47           HA       VAL  47  -1.777  -8.381   6.124
  370    HB   VAL  47           HB       VAL  47  -3.921  -7.445   4.204
  371   HG11  VAL  47          1HG1      VAL  47  -2.540  -9.221   3.291
  372   HG12  VAL  47          2HG1      VAL  47  -4.152  -9.828   3.678
  373   HG13  VAL  47          3HG1      VAL  47  -2.793 -10.187   4.743
  374   HG21  VAL  47          3HG2      VAL  47  -4.138  -9.166   6.675
  375   HG22  VAL  47          1HG2      VAL  47  -5.441  -8.842   5.529
  376   HG23  VAL  47          2HG2      VAL  47  -4.763  -7.527   6.487
  377    H    CYS  48           H        CYS  48  -0.168  -8.941   4.754
  378    HA   CYS  48           HA       CYS  48   0.893  -6.829   3.092
  379    HB2  CYS  48           2HB      CYS  48   2.032  -9.566   3.713
  380    HB3  CYS  48           1HB      CYS  48   2.875  -8.251   2.900
  381    H    ALA  49           H        ALA  49  -0.483  -6.706   1.452
  382    HA   ALA  49           HA       ALA  49  -1.375  -8.946  -0.079
  383    HB1  ALA  49           1HB      ALA  49  -1.468  -5.979  -0.653
  384    HB2  ALA  49           2HB      ALA  49  -2.720  -6.914   0.160
  385    HB3  ALA  49           3HB      ALA  49  -2.350  -7.228  -1.535
  386    H    ASN  50           H        ASN  50  -0.679  -9.554  -2.128
  387    HA   ASN  50           HA       ASN  50   2.151  -9.135  -2.509
  388    HB2  ASN  50           2HB      ASN  50   0.587 -10.655  -4.538
  389    HB3  ASN  50           1HB      ASN  50   2.156 -11.015  -3.838
  390   HD21  ASN  50          1HD2      ASN  50   0.864 -10.727  -1.056
  391   HD22  ASN  50          2HD2      ASN  50   0.043 -12.248  -0.863
  392    HA   PRO  51           HA       PRO  51   1.482  -6.156  -5.719
  393    HB2  PRO  51           2HB      PRO  51   4.221  -6.363  -6.554
  394    HB3  PRO  51           1HB      PRO  51   3.455  -5.098  -5.594
  395    HG2  PRO  51           2HG      PRO  51   5.330  -6.844  -4.609
  396    HG3  PRO  51           1HG      PRO  51   4.114  -6.015  -3.621
  397    HD2  PRO  51           2HD      PRO  51   4.097  -8.815  -4.689
  398    HD3  PRO  51           1HD      PRO  51   3.591  -8.212  -3.091
  399    H    LYS  52           H        LYS  52   1.968  -9.368  -6.235
  400    HA   LYS  52           HA       LYS  52   2.489  -9.144  -9.104
  401    HB2  LYS  52           2HB      LYS  52   2.513 -11.512  -7.242
  402    HB3  LYS  52           1HB      LYS  52   2.680 -11.659  -8.986
  403    HG2  LYS  52           2HG      LYS  52   4.680 -10.194  -8.859
  404    HG3  LYS  52           1HG      LYS  52   4.537 -10.229  -7.101
  405    HD2  LYS  52           2HD      LYS  52   4.802 -12.645  -7.105
  406    HD3  LYS  52           1HD      LYS  52   4.876 -12.649  -8.867
  407    HE2  LYS  52           2HE      LYS  52   7.106 -12.819  -7.982
  408    HE3  LYS  52           1HE      LYS  52   6.911 -11.242  -8.745
  409    HZ1  LYS  52           3HZ      LYS  52   6.610 -10.248  -6.580
  410    HZ2  LYS  52           1HZ      LYS  52   8.068 -11.117  -6.609
  411    HZ3  LYS  52           2HZ      LYS  52   6.707 -11.763  -5.825
  412    H    GLN  53           H        GLN  53   0.105 -10.616  -6.907
  413    HA   GLN  53           HA       GLN  53  -1.404 -11.756  -8.991
  414    HB2  GLN  53           2HB      GLN  53  -3.212 -11.617  -6.961
  415    HB3  GLN  53           1HB      GLN  53  -2.043 -12.904  -7.186
  416    HG2  GLN  53           2HG      GLN  53  -1.926 -12.263  -4.911
  417    HG3  GLN  53           1HG      GLN  53  -0.494 -11.619  -5.681
  418   HE21  GLN  53          1HE2      GLN  53  -1.962 -10.781  -3.239
  419   HE22  GLN  53          2HE2      GLN  53  -2.293  -9.102  -3.496
  420    H    THR  54           H        THR  54  -3.812 -11.273  -9.293
  421    HA   THR  54           HA       THR  54  -3.899  -8.480 -10.126
  422    HB   THR  54           HB       THR  54  -6.093  -9.439 -11.259
  423    HG1  THR  54           1HG      THR  54  -5.055 -11.732 -11.877
  424   HG21  THR  54          3HG2      THR  54  -4.745  -9.924 -13.247
  425   HG22  THR  54          1HG2      THR  54  -3.293  -9.986 -12.247
  426   HG23  THR  54          2HG2      THR  54  -4.180  -8.469 -12.423
  427    H    TRP  55           H        TRP  55  -5.515 -10.619  -7.871
  428    HA   TRP  55           HA       TRP  55  -7.875  -9.174  -7.548
  429    HB2  TRP  55           2HB      TRP  55  -8.180 -10.238  -5.448
  430    HB3  TRP  55           1HB      TRP  55  -7.516 -11.401  -6.581
  431    HD1  TRP  55           HD       TRP  55  -5.103 -12.280  -6.060
  432    HE1  TRP  55           1HE      TRP  55  -3.642 -12.254  -4.014
  433    HE3  TRP  55           3HE      TRP  55  -7.599  -8.818  -3.563
  434    HZ2  TRP  55           2HZ      TRP  55  -3.537 -10.848  -1.557
  435    HZ3  TRP  55           3HZ      TRP  55  -6.813  -8.170  -1.447
  436    HH2  TRP  55           HH       TRP  55  -4.855  -9.102  -0.388
  437    H    VAL  56           H        VAL  56  -4.700  -8.672  -6.255
  438    HA   VAL  56           HA       VAL  56  -5.367  -6.484  -4.585
  439    HB   VAL  56           HB       VAL  56  -2.913  -7.756  -5.577
  440   HG11  VAL  56          1HG1      VAL  56  -2.475  -5.485  -6.326
  441   HG12  VAL  56          2HG1      VAL  56  -1.434  -5.938  -4.977
  442   HG13  VAL  56          3HG1      VAL  56  -2.821  -4.880  -4.706
  443   HG21  VAL  56          3HG2      VAL  56  -2.236  -7.413  -3.256
  444   HG22  VAL  56          1HG2      VAL  56  -3.793  -8.229  -3.407
  445   HG23  VAL  56          2HG2      VAL  56  -3.731  -6.520  -2.971
  446    H    LYS  57           H        LYS  57  -4.163  -6.728  -7.912
  447    HA   LYS  57           HA       LYS  57  -3.793  -4.000  -8.361
  448    HB2  LYS  57           2HB      LYS  57  -4.435  -6.234 -10.288
  449    HB3  LYS  57           1HB      LYS  57  -4.004  -4.601 -10.793
  450    HG2  LYS  57           2HG      LYS  57  -1.863  -4.837  -9.598
  451    HG3  LYS  57           1HG      LYS  57  -2.302  -6.495  -9.187
  452    HD2  LYS  57           2HD      LYS  57  -2.233  -7.167 -11.457
  453    HD3  LYS  57           1HD      LYS  57  -2.139  -5.497 -12.022
  454    HE2  LYS  57           2HE      LYS  57   0.037  -6.642 -12.128
  455    HE3  LYS  57           1HE      LYS  57   0.065  -5.257 -11.040
  456    HZ1  LYS  57           3HZ      LYS  57  -0.042  -8.130 -10.308
  457    HZ2  LYS  57           1HZ      LYS  57  -0.325  -6.883  -9.200
  458    HZ3  LYS  57           2HZ      LYS  57   1.180  -7.013  -9.955
  459    H    TYR  58           H        TYR  58  -6.672  -5.998  -8.549
  460    HA   TYR  58           HA       TYR  58  -8.374  -4.052  -9.661
  461    HB2  TYR  58           2HB      TYR  58  -9.392  -6.126  -9.632
  462    HB3  TYR  58           1HB      TYR  58  -8.758  -6.537  -8.042
  463    HD1  TYR  58           2HD      TYR  58 -11.098  -4.045  -9.574
  464    HD2  TYR  58           1HD      TYR  58 -10.262  -6.639  -6.303
  465    HE1  TYR  58           2HE      TYR  58 -13.233  -3.422  -8.538
  466    HE2  TYR  58           1HE      TYR  58 -12.399  -6.032  -5.269
  467    HH   TYR  58           HH       TYR  58 -14.859  -4.472  -6.883
  468    H    ILE  59           H        ILE  59  -7.652  -4.931  -6.284
  469    HA   ILE  59           HA       ILE  59  -9.382  -3.092  -5.069
  470    HB   ILE  59           HB       ILE  59  -6.805  -4.078  -3.862
  471   HG12  ILE  59          2HG1      ILE  59  -9.516  -5.398  -3.951
  472   HG13  ILE  59          1HG1      ILE  59  -8.070  -5.961  -4.768
  473   HG21  ILE  59          1HG2      ILE  59  -7.913  -2.305  -2.621
  474   HG22  ILE  59          2HG2      ILE  59  -8.058  -3.836  -1.759
  475   HG23  ILE  59          3HG2      ILE  59  -9.434  -3.203  -2.662
  476   HD11  ILE  59          3HD1      ILE  59  -8.454  -5.777  -1.795
  477   HD12  ILE  59          1HD1      ILE  59  -7.003  -6.344  -2.623
  478   HD13  ILE  59          2HD1      ILE  59  -8.510  -7.246  -2.773
  479    H    VAL  60           H        VAL  60  -5.849  -2.896  -5.525
  480    HA   VAL  60           HA       VAL  60  -5.584  -0.335  -4.399
  481    HB   VAL  60           HB       VAL  60  -3.653  -1.751  -4.505
  482   HG11  VAL  60          1HG1      VAL  60  -4.245  -2.991  -6.538
  483   HG12  VAL  60          2HG1      VAL  60  -2.583  -2.396  -6.589
  484   HG13  VAL  60          3HG1      VAL  60  -3.840  -1.575  -7.513
  485   HG21  VAL  60          3HG2      VAL  60  -1.998  -0.258  -5.543
  486   HG22  VAL  60          1HG2      VAL  60  -3.183   0.625  -4.582
  487   HG23  VAL  60          2HG2      VAL  60  -3.302   0.619  -6.342
  488    H    ARG  61           H        ARG  61  -6.441  -1.349  -7.639
  489    HA   ARG  61           HA       ARG  61  -6.103   1.133  -8.925
  490    HB2  ARG  61           2HB      ARG  61  -6.556  -0.840 -10.236
  491    HB3  ARG  61           1HB      ARG  61  -8.093  -1.090  -9.418
  492    HG2  ARG  61           2HG      ARG  61  -8.922   1.015 -10.379
  493    HG3  ARG  61           1HG      ARG  61  -7.394   1.202 -11.240
  494    HD2  ARG  61           2HD      ARG  61  -7.806  -0.785 -12.523
  495    HD3  ARG  61           1HD      ARG  61  -9.239  -1.162 -11.561
  496    HE   ARG  61           HE       ARG  61 -10.107   1.046 -12.463
  497   HH11  ARG  61          1HH1      ARG  61  -7.980  -1.061 -14.288
  498   HH12  ARG  61          2HH1      ARG  61  -8.464  -0.418 -15.831
  499   HH21  ARG  61          1HH2      ARG  61 -10.741   1.890 -14.477
  500   HH22  ARG  61          2HH2      ARG  61 -10.051   1.247 -15.940
  501    H    LEU  62           H        LEU  62  -8.859  -0.252  -7.157
  502    HA   LEU  62           HA       LEU  62 -10.451   2.120  -7.502
  503    HB2  LEU  62           2HB      LEU  62 -10.842  -0.345  -5.822
  504    HB3  LEU  62           1HB      LEU  62 -11.976   0.989  -5.841
  505    HG   LEU  62           HG       LEU  62 -11.287  -0.867  -8.108
  506   HD11  LEU  62          1HD1      LEU  62 -12.894  -1.722  -6.518
  507   HD12  LEU  62          2HD1      LEU  62 -13.703  -1.318  -8.034
  508   HD13  LEU  62          3HD1      LEU  62 -13.842  -0.240  -6.645
  509   HD21  LEU  62          3HD2      LEU  62 -12.956   1.648  -8.187
  510   HD22  LEU  62          1HD2      LEU  62 -12.825   0.461  -9.484
  511   HD23  LEU  62          2HD2      LEU  62 -11.412   1.396  -9.001
  512    H    LEU  63           H        LEU  63  -7.856   1.453  -5.640
  513    HA   LEU  63           HA       LEU  63  -8.688   3.090  -3.373
  514    HB2  LEU  63           2HB      LEU  63  -6.540   1.156  -3.900
  515    HB3  LEU  63           1HB      LEU  63  -6.070   2.536  -2.929
  516    HG   LEU  63           HG       LEU  63  -6.748   0.560  -1.591
  517   HD11  LEU  63          1HD1      LEU  63  -6.906   2.778  -0.624
  518   HD12  LEU  63          2HD1      LEU  63  -8.225   1.759  -0.057
  519   HD13  LEU  63          3HD1      LEU  63  -8.524   2.979  -1.296
  520   HD21  LEU  63          3HD2      LEU  63  -9.124  -0.002  -1.435
  521   HD22  LEU  63          1HD2      LEU  63  -8.480  -0.324  -3.045
  522   HD23  LEU  63          2HD2      LEU  63  -9.471   1.107  -2.762
  523    H    SER  64           H        SER  64  -6.052   2.987  -5.761
  524    HA   SER  64           HA       SER  64  -4.847   5.380  -4.873
  525    HB2  SER  64           2HB      SER  64  -4.546   4.027  -7.558
  526    HB3  SER  64           1HB      SER  64  -3.410   5.150  -6.814
  527    HG   SER  64           HG       SER  64  -4.135   2.576  -5.847
  528    H    LYS  65           H        LYS  65  -7.158   4.747  -7.492
  529    HA   LYS  65           HA       LYS  65  -6.915   7.510  -8.382
  530    HB2  LYS  65           2HB      LYS  65  -8.133   5.048  -9.546
  531    HB3  LYS  65           1HB      LYS  65  -8.728   6.615 -10.073
  532    HG2  LYS  65           2HG      LYS  65  -7.097   5.957 -11.630
  533    HG3  LYS  65           1HG      LYS  65  -6.346   7.209 -10.641
  534    HD2  LYS  65           2HD      LYS  65  -5.157   5.522  -9.363
  535    HD3  LYS  65           1HD      LYS  65  -5.975   4.237 -10.259
  536    HE2  LYS  65           2HE      LYS  65  -4.950   5.051 -12.334
  537    HE3  LYS  65           1HE      LYS  65  -4.106   6.304 -11.426
  538    HZ1  LYS  65           3HZ      LYS  65  -2.719   4.362 -11.914
  539    HZ2  LYS  65           1HZ      LYS  65  -3.762   3.383 -11.007
  540    HZ3  LYS  65           2HZ      LYS  65  -2.888   4.619 -10.247
  541    H    LYS  66           H        LYS  66  -8.507   6.154  -5.978
  542    HA   LYS  66           HA       LYS  66 -11.059   7.480  -6.523
  543    HB2  LYS  66           2HB      LYS  66 -11.164   5.113  -5.851
  544    HB3  LYS  66           1HB      LYS  66 -10.365   5.518  -4.340
  545    HG2  LYS  66           2HG      LYS  66 -12.222   6.725  -3.558
  546    HG3  LYS  66           1HG      LYS  66 -12.970   6.756  -5.156
  547    HD2  LYS  66           2HD      LYS  66 -12.494   4.265  -3.524
  548    HD3  LYS  66           1HD      LYS  66 -14.030   5.126  -3.628
  549    HE2  LYS  66           2HE      LYS  66 -14.165   4.697  -5.998
  550    HE3  LYS  66           1HE      LYS  66 -12.568   3.958  -5.998
  551    HZ1  LYS  66           3HZ      LYS  66 -14.883   2.904  -4.466
  552    HZ2  LYS  66           1HZ      LYS  66 -13.383   2.155  -4.703
  553    HZ3  LYS  66           2HZ      LYS  66 -14.447   2.359  -6.009
  554    H    VAL  67           H        VAL  67  -8.770   7.086  -3.856
  555    HA   VAL  67           HA       VAL  67  -9.850   9.410  -2.530
  556    HB   VAL  67           HB       VAL  67  -8.065   8.950  -0.804
  557   HG11  VAL  67          1HG1      VAL  67 -10.348   8.162  -0.538
  558   HG12  VAL  67          2HG1      VAL  67  -9.213   6.967   0.091
  559   HG13  VAL  67          3HG1      VAL  67  -9.980   6.717  -1.479
  560   HG21  VAL  67          3HG2      VAL  67  -6.931   6.800  -0.850
  561   HG22  VAL  67          1HG2      VAL  67  -6.485   7.750  -2.266
  562   HG23  VAL  67          2HG2      VAL  67  -7.648   6.432  -2.419
  563    H    LYS  68           H        LYS  68  -9.417  11.120  -3.817
  564    HA   LYS  68           HA       LYS  68  -6.585  11.710  -4.342
  565    HB2  LYS  68           2HB      LYS  68  -8.981  12.489  -6.013
  566    HB3  LYS  68           1HB      LYS  68  -7.311  12.915  -6.357
  567    HG2  LYS  68           2HG      LYS  68  -6.757  10.564  -6.655
  568    HG3  LYS  68           1HG      LYS  68  -8.424  10.119  -6.278
  569    HD2  LYS  68           2HD      LYS  68  -7.531  11.828  -8.600
  570    HD3  LYS  68           1HD      LYS  68  -8.022  10.136  -8.692
  571    HE2  LYS  68           2HE      LYS  68  -9.754  12.447  -7.810
  572    HE3  LYS  68           1HE      LYS  68  -9.831  11.631  -9.373
  573    HZ1  LYS  68           3HZ      LYS  68 -10.425   9.578  -8.221
  574    HZ2  LYS  68           1HZ      LYS  68 -11.544  10.814  -7.895
  575    HZ3  LYS  68           2HZ      LYS  68 -10.387  10.389  -6.735
  576    H    ASN  69           H        ASN  69  -6.005  13.152  -2.876
  577    HA   ASN  69           HA       ASN  69  -7.687  15.556  -2.586
  578    HB2  ASN  69           2HB      ASN  69  -6.698  15.930  -0.408
  579    HB3  ASN  69           1HB      ASN  69  -7.297  14.278  -0.455
  580   HD21  ASN  69          1HD2      ASN  69  -4.507  16.319  -0.400
  581   HD22  ASN  69          2HD2      ASN  69  -3.346  15.087  -0.051
  582    H    MET  70           H        MET  70  -6.247  17.534  -1.998
  583    HA   MET  70           HA       MET  70  -4.054  17.605  -3.963
  584    HB2  MET  70           2HB      MET  70  -6.100  19.200  -4.076
  585    HB3  MET  70           1HB      MET  70  -5.355  20.016  -2.710
  586    HG2  MET  70           2HG      MET  70  -3.949  19.557  -5.323
  587    HG3  MET  70           1HG      MET  70  -4.889  21.001  -4.967
  588    HE1  MET  70           3HE      MET  70  -4.215  22.808  -3.156
  589    HE2  MET  70           1HE      MET  70  -2.860  22.622  -2.047
  590    HE3  MET  70           2HE      MET  70  -4.258  21.550  -1.921
  Start of MODEL   17
    1    H1   ALA   1           1HT      ALA   1  18.073   5.839   6.495
    2    H2   ALA   1           2HT      ALA   1  19.691   5.362   6.346
    3    H3   ALA   1           3HT      ALA   1  18.552   4.294   7.007
    4    HA   ALA   1           HA       ALA   1  18.598   5.288   4.217
    5    HB1  ALA   1           1HB      ALA   1  19.180   2.538   5.305
    6    HB2  ALA   1           2HB      ALA   1  20.390   3.687   4.733
    7    HB3  ALA   1           3HB      ALA   1  19.204   3.023   3.609
    8    H    SER   2           H        SER   2  17.229   2.720   6.315
    9    HA   SER   2           HA       SER   2  14.872   2.688   4.597
   10    HB2  SER   2           2HB      SER   2  15.394   0.932   6.998
   11    HB3  SER   2           1HB      SER   2  14.278   0.639   5.665
   12    HG   SER   2           HG       SER   2  16.485   0.841   4.427
   13    H    ASN   3           H        ASN   3  13.479   4.306   5.063
   14    HA   ASN   3           HA       ASN   3  12.853   5.344   7.596
   15    HB2  ASN   3           2HB      ASN   3  12.103   6.363   5.445
   16    HB3  ASN   3           1HB      ASN   3  11.003   5.008   5.213
   17   HD21  ASN   3          1HD2      ASN   3  11.586   7.970   6.871
   18   HD22  ASN   3          2HD2      ASN   3  10.029   8.103   7.633
   19    H    PHE   4           H        PHE   4  11.256   2.874   5.665
   20    HA   PHE   4           HA       PHE   4  10.512   1.433   8.114
   21    HB2  PHE   4           2HB      PHE   4   8.405   0.762   7.050
   22    HB3  PHE   4           1HB      PHE   4   8.502   2.513   7.151
   23    HD1  PHE   4           2HD      PHE   4   8.968   3.851   5.130
   24    HD2  PHE   4           1HD      PHE   4   8.344  -0.349   4.964
   25    HE1  PHE   4           2HE      PHE   4   8.589   4.006   2.702
   26    HE2  PHE   4           1HE      PHE   4   7.976  -0.201   2.545
   27    HZ   PHE   4           HZ       PHE   4   8.086   1.968   1.410
   28    H    ASP   5           H        ASP   5  10.254  -0.913   7.702
   29    HA   ASP   5           HA       ASP   5  11.410  -1.756   5.143
   30    HB2  ASP   5           2HB      ASP   5  12.281  -3.797   6.235
   31    HB3  ASP   5           1HB      ASP   5  13.013  -2.330   6.865
   32    H    CYS   6           H        CYS   6   9.917  -2.519   3.910
   33    HA   CYS   6           HA       CYS   6   7.365  -3.226   4.444
   34    HB2  CYS   6           2HB      CYS   6   7.748  -4.705   2.303
   35    HB3  CYS   6           1HB      CYS   6   7.819  -2.943   2.226
   36    H    CYS   7           H        CYS   7   6.236  -5.027   4.811
   37    HA   CYS   7           HA       CYS   7   6.921  -7.162   6.287
   38    HB2  CYS   7           2HB      CYS   7   4.650  -6.458   5.329
   39    HB3  CYS   7           1HB      CYS   7   5.069  -7.423   3.926
   40    H    LEU   8           H        LEU   8   8.366  -8.731   6.093
   41    HA   LEU   8           HA       LEU   8   9.912  -9.046   3.740
   42    HB2  LEU   8           2HB      LEU   8   9.797 -10.823   6.178
   43    HB3  LEU   8           1HB      LEU   8  11.078 -10.801   4.979
   44    HG   LEU   8           HG       LEU   8  10.387  -8.514   6.835
   45   HD11  LEU   8          1HD1      LEU   8  11.377 -10.413   8.015
   46   HD12  LEU   8          2HD1      LEU   8  12.491  -9.047   7.942
   47   HD13  LEU   8          3HD1      LEU   8  12.719 -10.428   6.868
   48   HD21  LEU   8          3HD2      LEU   8  11.285  -7.754   4.695
   49   HD22  LEU   8          1HD2      LEU   8  12.658  -8.846   4.877
   50   HD23  LEU   8          2HD2      LEU   8  12.449  -7.500   5.996
   51    H    GLY   9           H        GLY   9   7.108 -10.667   4.975
   52    HA2  GLY   9           2HA      GLY   9   7.241 -12.542   2.696
   53    HA3  GLY   9           1HA      GLY   9   6.631 -13.033   4.273
   54    H    TYR  10           H        TYR  10   5.383 -12.818   1.516
   55    HA   TYR  10           HA       TYR  10   3.394 -10.732   1.962
   56    HB2  TYR  10           2HB      TYR  10   3.717 -12.600  -0.389
   57    HB3  TYR  10           1HB      TYR  10   2.626 -11.233  -0.300
   58    HD1  TYR  10           2HD      TYR  10   6.217 -12.135  -0.289
   59    HD2  TYR  10           1HD      TYR  10   3.315  -9.098  -1.018
   60    HE1  TYR  10           2HE      TYR  10   7.954 -10.728  -1.308
   61    HE2  TYR  10           1HE      TYR  10   5.049  -7.688  -2.036
   62    HH   TYR  10           HH       TYR  10   8.095  -8.866  -2.928
   63    H    THR  11           H        THR  11   1.110 -11.500   1.107
   64    HA   THR  11           HA       THR  11   0.319 -13.795   2.741
   65    HB   THR  11           HB       THR  11  -0.837 -11.582   3.012
   66    HG1  THR  11           1HG      THR  11  -2.155 -13.138   3.720
   67   HG21  THR  11          3HG2      THR  11  -0.807 -10.896   0.650
   68   HG22  THR  11          1HG2      THR  11  -2.440 -10.854   1.318
   69   HG23  THR  11          2HG2      THR  11  -1.950 -12.183   0.267
   70    H    ASP  12           H        ASP  12  -1.921 -14.719   1.547
   71    HA   ASP  12           HA       ASP  12  -1.417 -15.151  -1.296
   72    HB2  ASP  12           2HB      ASP  12  -1.321 -17.509  -1.191
   73    HB3  ASP  12           1HB      ASP  12  -0.221 -16.951   0.063
   74    H    ARG  13           H        ARG  13  -3.461 -13.925   0.578
   75    HA   ARG  13           HA       ARG  13  -5.757 -15.704   0.407
   76    HB2  ARG  13           2HB      ARG  13  -5.804 -12.876   1.424
   77    HB3  ARG  13           1HB      ARG  13  -6.888 -14.202   1.827
   78    HG2  ARG  13           2HG      ARG  13  -4.075 -13.753   2.763
   79    HG3  ARG  13           1HG      ARG  13  -5.545 -13.897   3.722
   80    HD2  ARG  13           2HD      ARG  13  -4.187 -16.091   2.168
   81    HD3  ARG  13           1HD      ARG  13  -4.191 -15.903   3.917
   82    HE   ARG  13           HE       ARG  13  -6.785 -16.108   3.492
   83   HH11  ARG  13          1HH1      ARG  13  -4.151 -17.903   2.013
   84   HH12  ARG  13          2HH1      ARG  13  -5.102 -19.350   1.788
   85   HH21  ARG  13          1HH2      ARG  13  -8.033 -18.007   3.189
   86   HH22  ARG  13          2HH2      ARG  13  -7.304 -19.407   2.467
   87    H    ILE  14           H        ILE  14  -7.887 -14.376   0.090
   88    HA   ILE  14           HA       ILE  14  -7.667 -12.454  -2.126
   89    HB   ILE  14           HB       ILE  14  -9.821 -14.526  -1.651
   90   HG12  ILE  14          2HG1      ILE  14  -7.646 -15.025  -2.990
   91   HG13  ILE  14          1HG1      ILE  14  -9.199 -15.526  -3.649
   92   HG21  ILE  14          1HG2      ILE  14 -10.921 -12.450  -2.181
   93   HG22  ILE  14          2HG2      ILE  14 -11.014 -13.532  -3.570
   94   HG23  ILE  14          3HG2      ILE  14  -9.852 -12.204  -3.565
   95   HD11  ILE  14          3HD1      ILE  14  -7.839 -14.543  -5.376
   96   HD12  ILE  14          1HD1      ILE  14  -7.640 -13.075  -4.418
   97   HD13  ILE  14          2HD1      ILE  14  -9.231 -13.508  -5.044
   98    H    LEU  15           H        LEU  15  -7.622 -10.699  -0.672
   99    HA   LEU  15           HA       LEU  15  -9.872 -10.397   1.169
  100    HB2  LEU  15           2HB      LEU  15  -7.356  -8.769   0.772
  101    HB3  LEU  15           1HB      LEU  15  -8.668  -8.243   1.814
  102    HG   LEU  15           HG       LEU  15  -7.108  -9.179   3.273
  103   HD11  LEU  15          1HD1      LEU  15  -9.348 -10.020   3.712
  104   HD12  LEU  15          2HD1      LEU  15  -8.131 -11.223   4.139
  105   HD13  LEU  15          3HD1      LEU  15  -9.052 -11.395   2.647
  106   HD21  LEU  15          3HD2      LEU  15  -5.689 -10.183   1.543
  107   HD22  LEU  15          1HD2      LEU  15  -6.825 -11.526   1.405
  108   HD23  LEU  15          2HD2      LEU  15  -5.943 -11.267   2.909
  109    H    HIS  16           H        HIS  16 -10.892  -8.138   1.174
  110    HA   HIS  16           HA       HIS  16 -11.238  -7.250  -1.609
  111    HB2  HIS  16           2HB      HIS  16 -13.438  -7.902   0.343
  112    HB3  HIS  16           1HB      HIS  16 -13.674  -7.113  -1.210
  113    HD1  HIS  16           1HD      HIS  16 -15.096  -9.670  -0.623
  114    HD2  HIS  16           2HD      HIS  16 -11.344  -9.533  -2.404
  115    HE1  HIS  16           1HE      HIS  16 -14.923 -11.744  -1.939
  116    HE2  HIS  16           2HE      HIS  16 -12.798 -11.520  -3.272
  117    HA   PRO  17           HA       PRO  17 -11.749  -3.081   0.058
  118    HB2  PRO  17           2HB      PRO  17 -14.119  -2.398  -1.218
  119    HB3  PRO  17           1HB      PRO  17 -12.510  -2.192  -1.911
  120    HG2  PRO  17           2HG      PRO  17 -14.507  -4.357  -2.382
  121    HG3  PRO  17           1HG      PRO  17 -13.393  -3.586  -3.526
  122    HD2  PRO  17           2HD      PRO  17 -12.921  -6.034  -2.506
  123    HD3  PRO  17           1HD      PRO  17 -11.606  -4.884  -2.852
  124    H    LYS  18           H        LYS  18 -14.220  -5.495  -0.107
  125    HA   LYS  18           HA       LYS  18 -16.122  -4.830   1.739
  126    HB2  LYS  18           2HB      LYS  18 -14.733  -7.479   1.283
  127    HB3  LYS  18           1HB      LYS  18 -16.187  -7.326   2.241
  128    HG2  LYS  18           2HG      LYS  18 -17.346  -6.464   0.218
  129    HG3  LYS  18           1HG      LYS  18 -15.887  -6.803  -0.706
  130    HD2  LYS  18           2HD      LYS  18 -16.077  -9.122  -0.335
  131    HD3  LYS  18           1HD      LYS  18 -17.264  -8.899   0.951
  132    HE2  LYS  18           2HE      LYS  18 -17.722  -8.218  -1.948
  133    HE3  LYS  18           1HE      LYS  18 -18.253  -9.708  -1.173
  134    HZ1  LYS  18           3HZ      LYS  18 -19.622  -8.424   0.325
  135    HZ2  LYS  18           1HZ      LYS  18 -20.026  -8.054  -1.279
  136    HZ3  LYS  18           2HZ      LYS  18 -19.087  -6.972  -0.370
  137    H    PHE  19           H        PHE  19 -12.773  -5.684   2.294
  138    HA   PHE  19           HA       PHE  19 -13.258  -5.720   5.199
  139    HB2  PHE  19           2HB      PHE  19 -11.202  -7.302   3.646
  140    HB3  PHE  19           1HB      PHE  19 -11.444  -7.361   5.388
  141    HD1  PHE  19           1HD      PHE  19 -13.443  -8.438   6.316
  142    HD2  PHE  19           2HD      PHE  19 -12.632  -8.485   2.143
  143    HE1  PHE  19           1HE      PHE  19 -15.059 -10.271   6.024
  144    HE2  PHE  19           2HE      PHE  19 -14.251 -10.312   1.841
  145    HZ   PHE  19           HZ       PHE  19 -15.466 -11.209   3.787
  146    H    ILE  20           H        ILE  20 -11.944  -3.855   2.851
  147    HA   ILE  20           HA       ILE  20  -9.468  -3.304   4.337
  148    HB   ILE  20           HB       ILE  20 -10.175  -2.899   1.438
  149   HG12  ILE  20          2HG1      ILE  20  -7.633  -4.075   2.484
  150   HG13  ILE  20          1HG1      ILE  20  -9.109  -5.032   2.600
  151   HG21  ILE  20          1HG2      ILE  20  -9.113  -0.829   2.165
  152   HG22  ILE  20          2HG2      ILE  20  -8.011  -1.756   1.150
  153   HG23  ILE  20          3HG2      ILE  20  -7.797  -1.743   2.901
  154   HD11  ILE  20          3HD1      ILE  20  -7.937  -3.881   0.084
  155   HD12  ILE  20          1HD1      ILE  20  -9.391  -4.872   0.194
  156   HD13  ILE  20          2HD1      ILE  20  -7.823  -5.560   0.615
  157    H    VAL  21           H        VAL  21  -9.473  -1.597   5.598
  158    HA   VAL  21           HA       VAL  21 -11.140   0.711   4.849
  159    HB   VAL  21           HB       VAL  21 -11.081   1.340   7.270
  160   HG11  VAL  21          1HG1      VAL  21 -12.754  -0.338   7.969
  161   HG12  VAL  21          2HG1      VAL  21 -12.319  -1.325   6.572
  162   HG13  VAL  21          3HG1      VAL  21 -13.036   0.270   6.337
  163   HG21  VAL  21          3HG2      VAL  21 -10.474  -0.347   8.923
  164   HG22  VAL  21          1HG2      VAL  21  -9.087   0.063   7.914
  165   HG23  VAL  21          2HG2      VAL  21  -9.961  -1.445   7.641
  166    H    GLY  22           H        GLY  22  -8.031  -0.400   4.985
  167    HA2  GLY  22           2HA      GLY  22  -6.965   2.289   4.674
  168    HA3  GLY  22           1HA      GLY  22  -6.289   1.340   5.994
  169    H    PHE  23           H        PHE  23  -4.954   2.325   3.581
  170    HA   PHE  23           HA       PHE  23  -3.827  -0.207   2.657
  171    HB2  PHE  23           2HB      PHE  23  -5.252  -0.100   0.927
  172    HB3  PHE  23           1HB      PHE  23  -5.506   1.634   1.085
  173    HD1  PHE  23           2HD      PHE  23  -3.100  -0.907  -0.074
  174    HD2  PHE  23           1HD      PHE  23  -4.432   3.103  -0.258
  175    HE1  PHE  23           2HE      PHE  23  -1.615  -0.522  -1.988
  176    HE2  PHE  23           1HE      PHE  23  -2.956   3.511  -2.192
  177    HZ   PHE  23           HZ       PHE  23  -1.545   1.670  -3.017
  178    H    THR  24           H        THR  24  -1.740  -0.091   2.534
  179    HA   THR  24           HA       THR  24  -0.474   2.529   2.147
  180    HB   THR  24           HB       THR  24   0.513   0.429   4.092
  181    HG1  THR  24           1HG      THR  24  -0.668   2.989   4.607
  182   HG21  THR  24          3HG2      THR  24   2.123   2.119   4.786
  183   HG22  THR  24          1HG2      THR  24   1.472   3.254   3.600
  184   HG23  THR  24          2HG2      THR  24   2.299   1.791   3.063
  185    H    ARG  25           H        ARG  25   0.999   2.504   0.511
  186    HA   ARG  25           HA       ARG  25   1.684  -0.128  -0.583
  187    HB2  ARG  25           2HB      ARG  25   2.315   1.108  -2.638
  188    HB3  ARG  25           1HB      ARG  25   0.634   1.344  -2.169
  189    HG2  ARG  25           2HG      ARG  25   0.990   3.543  -1.515
  190    HG3  ARG  25           1HG      ARG  25   2.732   3.313  -1.348
  191    HD2  ARG  25           2HD      ARG  25   2.308   4.636  -3.307
  192    HD3  ARG  25           1HD      ARG  25   2.887   3.048  -3.804
  193    HE   ARG  25           HE       ARG  25   0.026   3.225  -3.742
  194   HH11  ARG  25          1HH1      ARG  25   2.876   3.930  -5.658
  195   HH12  ARG  25          2HH1      ARG  25   2.014   3.867  -7.171
  196   HH21  ARG  25          1HH2      ARG  25  -1.099   3.182  -5.754
  197   HH22  ARG  25          2HH2      ARG  25  -0.215   3.449  -7.226
  198    H    GLN  26           H        GLN  26   3.457  -0.895   0.399
  199    HA   GLN  26           HA       GLN  26   5.699   0.782   1.058
  200    HB2  GLN  26           2HB      GLN  26   5.206  -2.176   1.159
  201    HB3  GLN  26           1HB      GLN  26   6.814  -1.513   1.437
  202    HG2  GLN  26           2HG      GLN  26   6.113  -0.360   3.355
  203    HG3  GLN  26           1HG      GLN  26   4.419  -0.605   2.970
  204   HE21  GLN  26          1HE2      GLN  26   4.803  -3.351   2.172
  205   HE22  GLN  26          2HE2      GLN  26   5.067  -4.252   3.614
  206    H    LEU  27           H        LEU  27   7.400   1.235  -0.134
  207    HA   LEU  27           HA       LEU  27   7.501   0.039  -2.816
  208    HB2  LEU  27           2HB      LEU  27   8.124   2.866  -2.000
  209    HB3  LEU  27           1HB      LEU  27   8.166   2.229  -3.631
  210    HG   LEU  27           HG       LEU  27   5.652   2.328  -1.977
  211   HD11  LEU  27          1HD1      LEU  27   6.470   4.588  -2.253
  212   HD12  LEU  27          2HD1      LEU  27   5.065   4.319  -3.284
  213   HD13  LEU  27          3HD1      LEU  27   6.684   4.324  -3.984
  214   HD21  LEU  27          3HD2      LEU  27   4.580   2.133  -4.195
  215   HD22  LEU  27          1HD2      LEU  27   5.576   0.736  -3.783
  216   HD23  LEU  27          2HD2      LEU  27   6.179   1.943  -4.918
  217    H    ALA  28           H        ALA  28   9.474  -0.449  -3.677
  218    HA   ALA  28           HA       ALA  28  11.807  -0.491  -2.023
  219    HB1  ALA  28           1HB      ALA  28  11.344  -2.213  -3.730
  220    HB2  ALA  28           2HB      ALA  28  12.917  -1.447  -3.953
  221    HB3  ALA  28           3HB      ALA  28  11.561  -0.997  -4.988
  222    H    ASN  29           H        ASN  29  11.492   1.941  -1.688
  223    HA   ASN  29           HA       ASN  29  13.068   3.397  -3.680
  224    HB2  ASN  29           2HB      ASN  29  10.351   4.175  -2.644
  225    HB3  ASN  29           1HB      ASN  29  11.476   5.386  -3.249
  226   HD21  ASN  29          1HD2      ASN  29   9.493   2.631  -4.100
  227   HD22  ASN  29          2HD2      ASN  29   9.538   2.891  -5.807
  228    H    GLU  30           H        GLU  30  11.418   4.086  -0.578
  229    HA   GLU  30           HA       GLU  30  13.885   5.447   0.231
  230    HB2  GLU  30           2HB      GLU  30  12.420   6.618   1.904
  231    HB3  GLU  30           1HB      GLU  30  12.079   6.977   0.217
  232    HG2  GLU  30           2HG      GLU  30  10.195   5.386   0.292
  233    HG3  GLU  30           1HG      GLU  30  10.518   5.121   2.006
  234    H    GLY  31           H        GLY  31  14.108   2.796   0.491
  235    HA2  GLY  31           2HA      GLY  31  15.356   2.177   2.618
  236    HA3  GLY  31           1HA      GLY  31  13.796   2.383   3.396
  237    H    CYS  32           H        CYS  32  12.019   1.106   2.011
  238    HA   CYS  32           HA       CYS  32  12.521  -1.603   2.495
  239    HB2  CYS  32           2HB      CYS  32  10.280  -1.083   2.597
  240    HB3  CYS  32           1HB      CYS  32  10.304  -0.086   1.149
  241    H    ASP  33           H        ASP  33  13.138  -3.280   1.239
  242    HA   ASP  33           HA       ASP  33  14.561  -2.581  -1.197
  243    HB2  ASP  33           2HB      ASP  33  14.416  -5.202   0.312
  244    HB3  ASP  33           1HB      ASP  33  15.461  -4.887  -1.068
  245    H    ILE  34           H        ILE  34  11.730  -4.351  -0.230
  246    HA   ILE  34           HA       ILE  34  11.339  -5.251  -3.001
  247    HB   ILE  34           HB       ILE  34   9.738  -6.863  -2.160
  248   HG12  ILE  34          2HG1      ILE  34  10.315  -5.831   0.635
  249   HG13  ILE  34          1HG1      ILE  34   8.848  -5.475  -0.273
  250   HG21  ILE  34          1HG2      ILE  34  12.274  -6.869  -0.538
  251   HG22  ILE  34          2HG2      ILE  34  12.063  -7.543  -2.156
  252   HG23  ILE  34          3HG2      ILE  34  11.221  -8.261  -0.779
  253   HD11  ILE  34          3HD1      ILE  34   8.527  -7.252   1.369
  254   HD12  ILE  34          1HD1      ILE  34   9.769  -8.213   0.566
  255   HD13  ILE  34          2HD1      ILE  34   8.269  -7.831  -0.279
  256    H    ASN  35           H        ASN  35   8.450  -5.550  -2.599
  257    HA   ASN  35           HA       ASN  35   7.508  -3.019  -1.627
  258    HB2  ASN  35           2HB      ASN  35   6.155  -2.590  -3.762
  259    HB3  ASN  35           1HB      ASN  35   7.863  -2.184  -3.805
  260   HD21  ASN  35          1HD2      ASN  35   9.240  -3.355  -5.088
  261   HD22  ASN  35          2HD2      ASN  35   8.680  -4.446  -6.306
  262    H    ALA  36           H        ALA  36   5.776  -3.373  -0.529
  263    HA   ALA  36           HA       ALA  36   4.041  -5.634  -1.258
  264    HB1  ALA  36           1HB      ALA  36   3.845  -6.300   1.083
  265    HB2  ALA  36           2HB      ALA  36   5.019  -5.063   1.538
  266    HB3  ALA  36           3HB      ALA  36   5.514  -6.421   0.525
  267    H    ILE  37           H        ILE  37   1.996  -5.142  -1.282
  268    HA   ILE  37           HA       ILE  37   1.085  -2.525  -0.481
  269    HB   ILE  37           HB       ILE  37  -0.395  -4.886  -1.657
  270   HG12  ILE  37          2HG1      ILE  37   1.255  -3.977  -3.199
  271   HG13  ILE  37          1HG1      ILE  37  -0.362  -3.554  -3.748
  272   HG21  ILE  37          1HG2      ILE  37  -1.321  -2.063  -1.180
  273   HG22  ILE  37          2HG2      ILE  37  -1.938  -3.529  -0.425
  274   HG23  ILE  37          3HG2      ILE  37  -2.190  -3.253  -2.147
  275   HD11  ILE  37          3HD1      ILE  37   1.188  -1.699  -4.007
  276   HD12  ILE  37          1HD1      ILE  37   1.536  -1.736  -2.279
  277   HD13  ILE  37          2HD1      ILE  37  -0.079  -1.306  -2.843
  278    H    ILE  38           H        ILE  38   0.608  -2.180   1.636
  279    HA   ILE  38           HA       ILE  38  -0.348  -4.436   3.218
  280    HB   ILE  38           HB       ILE  38   0.243  -1.613   4.127
  281   HG12  ILE  38          2HG1      ILE  38   1.844  -4.167   4.378
  282   HG13  ILE  38          1HG1      ILE  38   2.288  -2.742   3.442
  283   HG21  ILE  38          1HG2      ILE  38  -1.428  -2.741   5.515
  284   HG22  ILE  38          2HG2      ILE  38   0.093  -2.539   6.387
  285   HG23  ILE  38          3HG2      ILE  38  -0.337  -4.113   5.716
  286   HD11  ILE  38          3HD1      ILE  38   2.041  -2.904   6.439
  287   HD12  ILE  38          1HD1      ILE  38   2.436  -1.449   5.522
  288   HD13  ILE  38          2HD1      ILE  38   3.538  -2.826   5.509
  289    H    PHE  39           H        PHE  39  -2.419  -4.842   2.774
  290    HA   PHE  39           HA       PHE  39  -4.360  -2.672   2.801
  291    HB2  PHE  39           2HB      PHE  39  -4.658  -5.658   2.463
  292    HB3  PHE  39           1HB      PHE  39  -6.035  -4.570   2.605
  293    HD1  PHE  39           1HD      PHE  39  -5.131  -2.269   0.955
  294    HD2  PHE  39           2HD      PHE  39  -4.782  -6.467   0.309
  295    HE1  PHE  39           1HE      PHE  39  -5.110  -1.889  -1.489
  296    HE2  PHE  39           2HE      PHE  39  -4.750  -6.092  -2.113
  297    HZ   PHE  39           HZ       PHE  39  -4.913  -3.820  -3.006
  298    H    HIS  40           H        HIS  40  -4.998  -1.889   4.652
  299    HA   HIS  40           HA       HIS  40  -4.677  -3.457   7.085
  300    HB2  HIS  40           2HB      HIS  40  -5.710  -0.619   6.858
  301    HB3  HIS  40           1HB      HIS  40  -5.081  -1.419   8.293
  302    HD1  HIS  40           1HD      HIS  40  -2.656  -0.996   8.800
  303    HD2  HIS  40           2HD      HIS  40  -3.627  -0.220   4.834
  304    HE1  HIS  40           1HE      HIS  40  -0.606   0.067   7.764
  305    HE2  HIS  40           2HE      HIS  40  -1.331   0.773   5.479
  306    H    THR  41           H        THR  41  -6.281  -4.838   7.464
  307    HA   THR  41           HA       THR  41  -8.850  -4.450   6.289
  308    HB   THR  41           HB       THR  41  -9.470  -6.571   7.413
  309    HG1  THR  41           1HG      THR  41  -6.752  -6.596   8.289
  310   HG21  THR  41          3HG2      THR  41  -8.451  -6.590   5.174
  311   HG22  THR  41          1HG2      THR  41  -7.970  -8.003   6.115
  312   HG23  THR  41          2HG2      THR  41  -6.848  -6.659   5.910
  313    H    LYS  42           H        LYS  42 -10.839  -4.439   7.350
  314    HA   LYS  42           HA       LYS  42 -11.156  -2.750   9.561
  315    HB2  LYS  42           2HB      LYS  42 -12.841  -3.582   7.735
  316    HB3  LYS  42           1HB      LYS  42 -13.122  -4.914   8.843
  317    HG2  LYS  42           2HG      LYS  42 -13.415  -2.049   9.685
  318    HG3  LYS  42           1HG      LYS  42 -14.726  -2.953   8.931
  319    HD2  LYS  42           2HD      LYS  42 -14.539  -4.638  10.744
  320    HD3  LYS  42           1HD      LYS  42 -13.312  -3.626  11.509
  321    HE2  LYS  42           2HE      LYS  42 -15.378  -3.165  12.585
  322    HE3  LYS  42           1HE      LYS  42 -15.003  -1.777  11.567
  323    HZ1  LYS  42           3HZ      LYS  42 -16.507  -2.738   9.873
  324    HZ2  LYS  42           1HZ      LYS  42 -17.296  -2.318  11.312
  325    HZ3  LYS  42           2HZ      LYS  42 -16.947  -3.942  10.982
  326    H    LYS  43           H        LYS  43 -10.270  -6.022   9.255
  327    HA   LYS  43           HA       LYS  43 -11.042  -6.807  11.905
  328    HB2  LYS  43           2HB      LYS  43 -11.071  -8.333   9.888
  329    HB3  LYS  43           1HB      LYS  43  -9.316  -8.320   9.943
  330    HG2  LYS  43           2HG      LYS  43  -9.317  -9.410  12.081
  331    HG3  LYS  43           1HG      LYS  43 -11.075  -9.283  12.193
  332    HD2  LYS  43           2HD      LYS  43 -11.312 -10.730  10.243
  333    HD3  LYS  43           1HD      LYS  43  -9.557 -10.837  10.099
  334    HE2  LYS  43           2HE      LYS  43  -9.428 -11.909  12.278
  335    HE3  LYS  43           1HE      LYS  43 -11.173 -11.761  12.468
  336    HZ1  LYS  43           3HZ      LYS  43  -9.870 -13.292  10.287
  337    HZ2  LYS  43           1HZ      LYS  43 -11.519 -13.271  10.668
  338    HZ3  LYS  43           2HZ      LYS  43 -10.408 -13.988  11.731
  339    H    LYS  44           H        LYS  44  -8.850  -4.746  10.994
  340    HA   LYS  44           HA       LYS  44  -7.203  -3.718  12.166
  341    HB2  LYS  44           2HB      LYS  44  -7.405  -6.074  14.038
  342    HB3  LYS  44           1HB      LYS  44  -6.322  -4.714  14.290
  343    HG2  LYS  44           2HG      LYS  44  -9.322  -4.501  14.094
  344    HG3  LYS  44           1HG      LYS  44  -8.398  -4.564  15.598
  345    HD2  LYS  44           2HD      LYS  44  -7.238  -2.510  14.992
  346    HD3  LYS  44           1HD      LYS  44  -8.105  -2.459  13.457
  347    HE2  LYS  44           2HE      LYS  44 -10.217  -2.223  14.635
  348    HE3  LYS  44           1HE      LYS  44  -9.384  -2.337  16.184
  349    HZ1  LYS  44           3HZ      LYS  44  -9.944  -0.040  15.474
  350    HZ2  LYS  44           1HZ      LYS  44  -8.854  -0.205  14.183
  351    HZ3  LYS  44           2HZ      LYS  44  -8.298  -0.275  15.786
  352    H    LEU  45           H        LEU  45  -6.903  -6.898  10.982
  353    HA   LEU  45           HA       LEU  45  -4.079  -7.152  11.297
  354    HB2  LEU  45           2HB      LEU  45  -6.009  -8.611   9.496
  355    HB3  LEU  45           1HB      LEU  45  -4.321  -9.040   9.691
  356    HG   LEU  45           HG       LEU  45  -6.446  -9.126  11.833
  357   HD11  LEU  45          1HD1      LEU  45  -4.921 -11.327  10.452
  358   HD12  LEU  45          2HD1      LEU  45  -6.615 -10.916  10.185
  359   HD13  LEU  45          3HD1      LEU  45  -6.093 -11.532  11.753
  360   HD21  LEU  45          3HD2      LEU  45  -4.724 -10.103  13.257
  361   HD22  LEU  45          1HD2      LEU  45  -4.283  -8.468  12.764
  362   HD23  LEU  45          2HD2      LEU  45  -3.520  -9.858  11.990
  363    H    SER  46           H        SER  46  -2.526  -6.274  10.141
  364    HA   SER  46           HA       SER  46  -3.121  -4.876   7.677
  365    HB2  SER  46           2HB      SER  46  -0.561  -4.420   7.890
  366    HB3  SER  46           1HB      SER  46  -1.660  -3.655   9.041
  367    HG   SER  46           HG       SER  46   0.374  -5.132   9.640
  368    H    VAL  47           H        VAL  47  -3.301  -6.113   5.931
  369    HA   VAL  47           HA       VAL  47  -1.978  -8.672   5.784
  370    HB   VAL  47           HB       VAL  47  -3.791  -7.306   3.787
  371   HG11  VAL  47          1HG1      VAL  47  -4.074  -9.562   2.835
  372   HG12  VAL  47          2HG1      VAL  47  -2.833 -10.159   3.937
  373   HG13  VAL  47          3HG1      VAL  47  -2.417  -8.973   2.701
  374   HG21  VAL  47          3HG2      VAL  47  -5.520  -8.837   4.645
  375   HG22  VAL  47          1HG2      VAL  47  -4.938  -7.726   5.884
  376   HG23  VAL  47          2HG2      VAL  47  -4.387  -9.402   5.874
  377    H    CYS  48           H        CYS  48  -0.151  -9.125   4.690
  378    HA   CYS  48           HA       CYS  48   1.164  -6.990   3.240
  379    HB2  CYS  48           2HB      CYS  48   2.165  -9.821   3.575
  380    HB3  CYS  48           1HB      CYS  48   3.107  -8.372   3.233
  381    H    ALA  49           H        ALA  49  -0.424  -6.857   1.604
  382    HA   ALA  49           HA       ALA  49  -1.198  -9.087   0.035
  383    HB1  ALA  49           1HB      ALA  49  -2.284  -7.359  -1.383
  384    HB2  ALA  49           2HB      ALA  49  -1.506  -6.114  -0.400
  385    HB3  ALA  49           3HB      ALA  49  -2.681  -7.208   0.329
  386    H    ASN  50           H        ASN  50  -0.535  -9.759  -1.927
  387    HA   ASN  50           HA       ASN  50   2.172  -9.056  -2.650
  388    HB2  ASN  50           2HB      ASN  50   0.263 -10.956  -4.038
  389    HB3  ASN  50           1HB      ASN  50   1.981 -10.812  -4.353
  390   HD21  ASN  50          1HD2      ASN  50   0.492 -10.839  -1.157
  391   HD22  ASN  50          2HD2      ASN  50   1.133 -12.382  -0.699
  392    HA   PRO  51           HA       PRO  51   0.750  -6.171  -5.801
  393    HB2  PRO  51           2HB      PRO  51   3.565  -6.211  -6.630
  394    HB3  PRO  51           1HB      PRO  51   2.576  -4.851  -6.088
  395    HG2  PRO  51           2HG      PRO  51   4.541  -5.861  -4.563
  396    HG3  PRO  51           1HG      PRO  51   3.044  -5.224  -3.862
  397    HD2  PRO  51           2HD      PRO  51   3.847  -8.073  -4.341
  398    HD3  PRO  51           1HD      PRO  51   3.030  -7.354  -2.923
  399    H    LYS  52           H        LYS  52   1.247  -9.244  -6.002
  400    HA   LYS  52           HA       LYS  52   1.931  -9.491  -8.851
  401    HB2  LYS  52           2HB      LYS  52   2.065 -11.354  -6.498
  402    HB3  LYS  52           1HB      LYS  52   2.127 -11.965  -8.148
  403    HG2  LYS  52           2HG      LYS  52   4.249 -11.041  -6.561
  404    HG3  LYS  52           1HG      LYS  52   4.296 -11.568  -8.238
  405    HD2  LYS  52           2HD      LYS  52   3.870  -9.277  -8.971
  406    HD3  LYS  52           1HD      LYS  52   3.802  -8.748  -7.287
  407    HE2  LYS  52           2HE      LYS  52   5.973  -8.229  -8.172
  408    HE3  LYS  52           1HE      LYS  52   6.141  -9.545  -7.013
  409    HZ1  LYS  52           3HZ      LYS  52   7.443  -9.971  -8.990
  410    HZ2  LYS  52           1HZ      LYS  52   6.072  -9.812  -9.970
  411    HZ3  LYS  52           2HZ      LYS  52   6.188 -11.107  -8.876
  412    H    GLN  53           H        GLN  53  -0.686  -9.661  -6.699
  413    HA   GLN  53           HA       GLN  53  -2.071 -11.714  -8.277
  414    HB2  GLN  53           2HB      GLN  53  -3.568 -11.702  -6.130
  415    HB3  GLN  53           1HB      GLN  53  -2.015 -12.531  -6.117
  416    HG2  GLN  53           2HG      GLN  53  -1.040 -10.398  -5.186
  417    HG3  GLN  53           1HG      GLN  53  -2.694  -9.854  -4.957
  418   HE21  GLN  53          1HE2      GLN  53  -2.403  -9.716  -2.740
  419   HE22  GLN  53          2HE2      GLN  53  -2.331 -11.133  -1.746
  420    H    THR  54           H        THR  54  -4.109 -11.389  -9.034
  421    HA   THR  54           HA       THR  54  -4.557  -8.776  -9.971
  422    HB   THR  54           HB       THR  54  -6.808  -9.834 -10.735
  423    HG1  THR  54           1HG      THR  54  -6.782 -12.084 -10.721
  424   HG21  THR  54          3HG2      THR  54  -5.649 -10.916 -12.616
  425   HG22  THR  54          1HG2      THR  54  -4.131 -10.826 -11.715
  426   HG23  THR  54          2HG2      THR  54  -4.950  -9.346 -12.219
  427    H    TRP  55           H        TRP  55  -6.176 -10.601  -7.377
  428    HA   TRP  55           HA       TRP  55  -8.266  -8.782  -6.999
  429    HB2  TRP  55           2HB      TRP  55  -8.683  -9.770  -4.904
  430    HB3  TRP  55           1HB      TRP  55  -8.129 -11.054  -5.963
  431    HD1  TRP  55           HD       TRP  55  -5.807 -12.147  -5.351
  432    HE1  TRP  55           1HE      TRP  55  -4.380 -12.128  -3.271
  433    HE3  TRP  55           3HE      TRP  55  -7.993  -8.324  -3.103
  434    HZ2  TRP  55           2HZ      TRP  55  -4.211 -10.582  -0.872
  435    HZ3  TRP  55           3HZ      TRP  55  -7.203  -7.599  -1.004
  436    HH2  TRP  55           HH       TRP  55  -5.376  -8.672   0.154
  437    H    VAL  56           H        VAL  56  -4.974  -8.754  -5.959
  438    HA   VAL  56           HA       VAL  56  -5.204  -6.425  -4.330
  439    HB   VAL  56           HB       VAL  56  -2.916  -7.982  -5.480
  440   HG11  VAL  56          1HG1      VAL  56  -2.696  -5.323  -4.089
  441   HG12  VAL  56          2HG1      VAL  56  -2.244  -5.673  -5.758
  442   HG13  VAL  56          3HG1      VAL  56  -1.353  -6.415  -4.427
  443   HG21  VAL  56          3HG2      VAL  56  -2.339  -8.211  -3.123
  444   HG22  VAL  56          1HG2      VAL  56  -3.990  -8.746  -3.432
  445   HG23  VAL  56          2HG2      VAL  56  -3.697  -7.174  -2.688
  446    H    LYS  57           H        LYS  57  -4.008  -7.054  -7.616
  447    HA   LYS  57           HA       LYS  57  -3.323  -4.457  -8.319
  448    HB2  LYS  57           2HB      LYS  57  -4.462  -6.602 -10.131
  449    HB3  LYS  57           1HB      LYS  57  -3.589  -5.169 -10.663
  450    HG2  LYS  57           2HG      LYS  57  -1.610  -5.970  -9.397
  451    HG3  LYS  57           1HG      LYS  57  -2.499  -7.450  -9.030
  452    HD2  LYS  57           2HD      LYS  57  -2.708  -7.899 -11.448
  453    HD3  LYS  57           1HD      LYS  57  -1.756  -6.446 -11.780
  454    HE2  LYS  57           2HE      LYS  57   0.106  -7.419 -10.461
  455    HE3  LYS  57           1HE      LYS  57  -0.849  -8.884 -10.250
  456    HZ1  LYS  57           3HZ      LYS  57   0.149  -7.793 -12.831
  457    HZ2  LYS  57           1HZ      LYS  57  -0.834  -9.171 -12.675
  458    HZ3  LYS  57           2HZ      LYS  57   0.728  -9.167 -12.025
  459    H    TYR  58           H        TYR  58  -6.441  -6.079  -8.397
  460    HA   TYR  58           HA       TYR  58  -7.879  -4.009  -9.628
  461    HB2  TYR  58           2HB      TYR  58  -8.960  -6.086  -9.605
  462    HB3  TYR  58           1HB      TYR  58  -8.642  -6.342  -7.891
  463    HD1  TYR  58           2HD      TYR  58 -10.463  -3.947 -10.110
  464    HD2  TYR  58           1HD      TYR  58 -10.395  -6.076  -6.428
  465    HE1  TYR  58           2HE      TYR  58 -12.676  -3.039  -9.559
  466    HE2  TYR  58           1HE      TYR  58 -12.612  -5.188  -5.867
  467    HH   TYR  58           HH       TYR  58 -14.030  -3.224  -6.464
  468    H    ILE  59           H        ILE  59  -7.627  -4.902  -6.166
  469    HA   ILE  59           HA       ILE  59  -9.204  -2.793  -5.240
  470    HB   ILE  59           HB       ILE  59  -7.020  -4.269  -3.770
  471   HG12  ILE  59          2HG1      ILE  59 -10.021  -4.651  -3.795
  472   HG13  ILE  59          1HG1      ILE  59  -8.864  -5.677  -4.624
  473   HG21  ILE  59          1HG2      ILE  59  -7.503  -2.168  -2.668
  474   HG22  ILE  59          2HG2      ILE  59  -8.180  -3.500  -1.732
  475   HG23  ILE  59          3HG2      ILE  59  -9.233  -2.501  -2.733
  476   HD11  ILE  59          3HD1      ILE  59  -9.664  -6.647  -2.532
  477   HD12  ILE  59          1HD1      ILE  59  -8.976  -5.281  -1.652
  478   HD13  ILE  59          2HD1      ILE  59  -7.920  -6.387  -2.538
  479    H    VAL  60           H        VAL  60  -5.644  -2.991  -5.530
  480    HA   VAL  60           HA       VAL  60  -5.186  -0.458  -4.334
  481    HB   VAL  60           HB       VAL  60  -3.401  -2.135  -4.461
  482   HG11  VAL  60          1HG1      VAL  60  -2.197  -2.559  -6.534
  483   HG12  VAL  60          2HG1      VAL  60  -3.318  -1.524  -7.418
  484   HG13  VAL  60          3HG1      VAL  60  -3.890  -3.027  -6.692
  485   HG21  VAL  60          3HG2      VAL  60  -1.573  -0.618  -5.173
  486   HG22  VAL  60          1HG2      VAL  60  -2.757   0.148  -4.113
  487   HG23  VAL  60          2HG2      VAL  60  -2.786   0.470  -5.847
  488    H    ARG  61           H        ARG  61  -5.855  -1.439  -7.644
  489    HA   ARG  61           HA       ARG  61  -5.211   1.010  -8.899
  490    HB2  ARG  61           2HB      ARG  61  -5.520  -0.848 -10.318
  491    HB3  ARG  61           1HB      ARG  61  -7.071  -1.252  -9.596
  492    HG2  ARG  61           2HG      ARG  61  -8.119   0.625 -10.663
  493    HG3  ARG  61           1HG      ARG  61  -6.562   1.216 -11.247
  494    HD2  ARG  61           2HD      ARG  61  -8.078  -0.079 -12.878
  495    HD3  ARG  61           1HD      ARG  61  -6.365  -0.487 -12.819
  496    HE   ARG  61           HE       ARG  61  -6.911  -2.486 -11.663
  497   HH11  ARG  61          1HH1      ARG  61  -9.732  -0.702 -12.761
  498   HH12  ARG  61          2HH1      ARG  61 -10.797  -2.071 -12.620
  499   HH21  ARG  61          1HH2      ARG  61  -8.296  -4.284 -11.542
  500   HH22  ARG  61          2HH2      ARG  61  -9.975  -4.109 -11.942
  501    H    LEU  62           H        LEU  62  -8.161  -0.172  -7.359
  502    HA   LEU  62           HA       LEU  62  -9.654   2.204  -7.997
  503    HB2  LEU  62           2HB      LEU  62 -10.206  -0.256  -6.379
  504    HB3  LEU  62           1HB      LEU  62 -11.263   1.134  -6.247
  505    HG   LEU  62           HG       LEU  62 -12.187  -0.479  -7.792
  506   HD11  LEU  62          1HD1      LEU  62 -12.602   1.876  -8.229
  507   HD12  LEU  62          2HD1      LEU  62 -12.512   0.959  -9.733
  508   HD13  LEU  62          3HD1      LEU  62 -11.149   1.956  -9.225
  509   HD21  LEU  62          3HD2      LEU  62  -9.644  -0.132  -9.375
  510   HD22  LEU  62          1HD2      LEU  62 -11.078  -1.003  -9.920
  511   HD23  LEU  62          2HD2      LEU  62 -10.163  -1.589  -8.530
  512    H    LEU  63           H        LEU  63  -7.778   1.028  -5.309
  513    HA   LEU  63           HA       LEU  63  -8.614   2.983  -3.424
  514    HB2  LEU  63           2HB      LEU  63  -6.271   1.139  -3.561
  515    HB3  LEU  63           1HB      LEU  63  -6.429   2.328  -2.276
  516    HG   LEU  63           HG       LEU  63  -8.322   0.057  -2.888
  517   HD11  LEU  63          1HD1      LEU  63  -7.670  -0.710  -0.652
  518   HD12  LEU  63          2HD1      LEU  63  -6.502   0.610  -0.560
  519   HD13  LEU  63          3HD1      LEU  63  -6.314  -0.649  -1.776
  520   HD21  LEU  63          3HD2      LEU  63  -9.582   2.015  -2.182
  521   HD22  LEU  63          1HD2      LEU  63  -8.526   2.210  -0.784
  522   HD23  LEU  63          2HD2      LEU  63  -9.569   0.793  -0.914
  523    H    SER  64           H        SER  64  -5.858   2.733  -5.604
  524    HA   SER  64           HA       SER  64  -4.705   5.184  -4.632
  525    HB2  SER  64           2HB      SER  64  -3.358   3.205  -5.392
  526    HB3  SER  64           1HB      SER  64  -3.871   3.557  -7.038
  527    HG   SER  64           HG       SER  64  -2.969   5.817  -6.127
  528    H    LYS  65           H        LYS  65  -6.355   4.131  -7.606
  529    HA   LYS  65           HA       LYS  65  -6.260   6.909  -8.525
  530    HB2  LYS  65           2HB      LYS  65  -5.567   5.045 -10.081
  531    HB3  LYS  65           1HB      LYS  65  -7.242   4.513 -10.077
  532    HG2  LYS  65           2HG      LYS  65  -7.225   5.777 -11.973
  533    HG3  LYS  65           1HG      LYS  65  -7.695   7.003 -10.799
  534    HD2  LYS  65           2HD      LYS  65  -4.866   6.522 -11.737
  535    HD3  LYS  65           1HD      LYS  65  -5.942   7.749 -12.398
  536    HE2  LYS  65           2HE      LYS  65  -4.923   7.589  -9.563
  537    HE3  LYS  65           1HE      LYS  65  -4.422   8.741 -10.792
  538    HZ1  LYS  65           3HZ      LYS  65  -6.400   9.881 -10.682
  539    HZ2  LYS  65           1HZ      LYS  65  -6.166   9.447  -9.058
  540    HZ3  LYS  65           2HZ      LYS  65  -7.253   8.578 -10.020
  541    H    LYS  66           H        LYS  66  -7.772   7.886  -7.310
  542    HA   LYS  66           HA       LYS  66 -10.400   6.730  -6.998
  543    HB2  LYS  66           2HB      LYS  66  -9.354   9.428  -6.137
  544    HB3  LYS  66           1HB      LYS  66 -10.886   8.714  -5.649
  545    HG2  LYS  66           2HG      LYS  66  -9.652   6.880  -4.556
  546    HG3  LYS  66           1HG      LYS  66  -8.135   7.677  -4.985
  547    HD2  LYS  66           2HD      LYS  66  -8.868   9.662  -3.698
  548    HD3  LYS  66           1HD      LYS  66 -10.320   8.784  -3.218
  549    HE2  LYS  66           2HE      LYS  66  -7.464   8.072  -2.555
  550    HE3  LYS  66           1HE      LYS  66  -8.696   8.669  -1.445
  551    HZ1  LYS  66           3HZ      LYS  66  -9.987   6.609  -2.069
  552    HZ2  LYS  66           1HZ      LYS  66  -8.602   6.372  -1.115
  553    HZ3  LYS  66           2HZ      LYS  66  -8.561   6.035  -2.777
  554    H    VAL  67           H        VAL  67 -10.954   6.675  -9.251
  555    HA   VAL  67           HA       VAL  67 -11.563   9.210 -10.541
  556    HB   VAL  67           HB       VAL  67 -12.407   6.466 -11.470
  557   HG11  VAL  67          1HG1      VAL  67 -11.867   9.044 -12.935
  558   HG12  VAL  67          2HG1      VAL  67 -13.444   8.303 -12.649
  559   HG13  VAL  67          3HG1      VAL  67 -12.270   7.508 -13.701
  560   HG21  VAL  67          3HG2      VAL  67 -10.331   6.345 -12.769
  561   HG22  VAL  67          1HG2      VAL  67 -10.011   6.376 -11.034
  562   HG23  VAL  67          2HG2      VAL  67  -9.770   7.831 -12.003
  563    H    LYS  68           H        LYS  68 -12.806   7.597  -8.097
  564    HA   LYS  68           HA       LYS  68 -15.635   7.868  -8.758
  565    HB2  LYS  68           2HB      LYS  68 -14.198   6.625  -6.408
  566    HB3  LYS  68           1HB      LYS  68 -15.939   6.825  -6.456
  567    HG2  LYS  68           2HG      LYS  68 -15.463   4.593  -7.055
  568    HG3  LYS  68           1HG      LYS  68 -15.956   5.427  -8.528
  569    HD2  LYS  68           2HD      LYS  68 -14.054   4.000  -8.992
  570    HD3  LYS  68           1HD      LYS  68 -13.579   5.693  -9.142
  571    HE2  LYS  68           2HE      LYS  68 -11.852   4.462  -7.985
  572    HE3  LYS  68           1HE      LYS  68 -12.614   5.591  -6.871
  573    HZ1  LYS  68           3HZ      LYS  68 -12.215   3.331  -5.954
  574    HZ2  LYS  68           1HZ      LYS  68 -13.355   2.723  -7.050
  575    HZ3  LYS  68           2HZ      LYS  68 -13.831   3.831  -5.862
  576    H    ASN  69           H        ASN  69 -13.674  10.101  -8.255
  577    HA   ASN  69           HA       ASN  69 -14.317  11.316  -5.769
  578    HB2  ASN  69           2HB      ASN  69 -13.262  13.332  -6.721
  579    HB3  ASN  69           1HB      ASN  69 -12.277  11.902  -7.004
  580   HD21  ASN  69          1HD2      ASN  69 -14.097  14.449  -8.440
  581   HD22  ASN  69          2HD2      ASN  69 -13.722  14.061 -10.085
  582    H    MET  70           H        MET  70 -15.871  11.134  -8.821
  583    HA   MET  70           HA       MET  70 -17.814  13.177  -8.017
  584    HB2  MET  70           2HB      MET  70 -16.798  13.534 -10.228
  585    HB3  MET  70           1HB      MET  70 -17.320  11.937 -10.741
  586    HG2  MET  70           2HG      MET  70 -19.663  12.636 -10.426
  587    HG3  MET  70           1HG      MET  70 -19.100  14.252 -10.016
  588    HE1  MET  70           3HE      MET  70 -17.462  15.412 -13.391
  589    HE2  MET  70           1HE      MET  70 -16.639  14.589 -12.062
  590    HE3  MET  70           2HE      MET  70 -17.825  15.850 -11.723
  Start of MODEL   18
    1    H1   ALA   1           1HT      ALA   1  14.319   9.280   5.912
    2    H2   ALA   1           2HT      ALA   1  15.891   9.656   5.398
    3    H3   ALA   1           3HT      ALA   1  15.533   8.102   5.958
    4    HA   ALA   1           HA       ALA   1  14.417   9.357   3.527
    5    HB1  ALA   1           1HB      ALA   1  16.782   8.814   3.286
    6    HB2  ALA   1           2HB      ALA   1  15.778   7.748   2.300
    7    HB3  ALA   1           3HB      ALA   1  16.461   7.163   3.818
    8    H    SER   2           H        SER   2  15.000   6.152   5.019
    9    HA   SER   2           HA       SER   2  12.567   5.142   3.817
   10    HB2  SER   2           2HB      SER   2  14.343   3.659   5.747
   11    HB3  SER   2           1HB      SER   2  13.317   2.994   4.471
   12    HG   SER   2           HG       SER   2  15.610   3.079   3.975
   13    H    ASN   3           H        ASN   3  10.853   6.136   4.847
   14    HA   ASN   3           HA       ASN   3  10.514   6.400   7.630
   15    HB2  ASN   3           2HB      ASN   3   8.366   6.004   5.530
   16    HB3  ASN   3           1HB      ASN   3   8.107   6.612   7.161
   17   HD21  ASN   3          1HD2      ASN   3   7.549   7.834   4.574
   18   HD22  ASN   3          2HD2      ASN   3   8.390   9.350   4.570
   19    H    PHE   4           H        PHE   4   9.416   3.923   5.398
   20    HA   PHE   4           HA       PHE   4   9.774   1.975   7.546
   21    HB2  PHE   4           2HB      PHE   4   7.912   0.631   6.535
   22    HB3  PHE   4           1HB      PHE   4   7.403   2.116   7.308
   23    HD1  PHE   4           2HD      PHE   4   8.739   1.460   3.888
   24    HD2  PHE   4           1HD      PHE   4   5.488   2.837   6.257
   25    HE1  PHE   4           2HE      PHE   4   7.534   2.087   1.849
   26    HE2  PHE   4           1HE      PHE   4   4.268   3.463   4.213
   27    HZ   PHE   4           HZ       PHE   4   5.297   3.078   2.005
   28    H    ASP   5           H        ASP   5   9.514  -0.306   6.148
   29    HA   ASP   5           HA       ASP   5  11.241   0.030   3.815
   30    HB2  ASP   5           2HB      ASP   5  11.861  -2.397   4.182
   31    HB3  ASP   5           1HB      ASP   5  12.479  -1.257   5.367
   32    H    CYS   6           H        CYS   6   9.769  -2.873   4.456
   33    HA   CYS   6           HA       CYS   6   7.592  -2.571   2.565
   34    HB2  CYS   6           2HB      CYS   6   8.401  -4.820   1.616
   35    HB3  CYS   6           1HB      CYS   6   9.332  -3.399   1.166
   36    H    CYS   7           H        CYS   7   7.321  -5.544   2.700
   37    HA   CYS   7           HA       CYS   7   7.050  -5.956   5.596
   38    HB2  CYS   7           2HB      CYS   7   4.820  -5.807   4.410
   39    HB3  CYS   7           1HB      CYS   7   5.268  -7.270   3.541
   40    H    LEU   8           H        LEU   8   7.947  -7.777   6.397
   41    HA   LEU   8           HA       LEU   8   9.961  -9.010   4.844
   42    HB2  LEU   8           2HB      LEU   8  10.223 -10.513   6.857
   43    HB3  LEU   8           1HB      LEU   8  10.413  -8.794   7.136
   44    HG   LEU   8           HG       LEU   8   7.939  -8.857   7.891
   45   HD11  LEU   8          1HD1      LEU   8   8.645 -11.772   8.192
   46   HD12  LEU   8          2HD1      LEU   8   7.437 -11.114   7.088
   47   HD13  LEU   8          3HD1      LEU   8   7.207 -10.979   8.832
   48   HD21  LEU   8          3HD2      LEU   8   9.812  -8.439   9.372
   49   HD22  LEU   8          1HD2      LEU   8  10.106 -10.171   9.512
   50   HD23  LEU   8          2HD2      LEU   8   8.619  -9.475  10.156
   51    H    GLY   9           H        GLY   9   6.672  -9.700   5.088
   52    HA2  GLY   9           2HA      GLY   9   7.062 -12.131   3.531
   53    HA3  GLY   9           1HA      GLY   9   6.120 -12.273   5.012
   54    H    TYR  10           H        TYR  10   4.976 -12.884   2.598
   55    HA   TYR  10           HA       TYR  10   3.101 -10.633   2.281
   56    HB2  TYR  10           2HB      TYR  10   3.768 -12.764   0.244
   57    HB3  TYR  10           1HB      TYR  10   2.612 -11.467   0.031
   58    HD1  TYR  10           2HD      TYR  10   6.168 -12.317   0.220
   59    HD2  TYR  10           1HD      TYR  10   3.351  -9.197  -0.528
   60    HE1  TYR  10           2HE      TYR  10   7.948 -10.944  -0.771
   61    HE2  TYR  10           1HE      TYR  10   5.129  -7.838  -1.510
   62    HH   TYR  10           HH       TYR  10   7.429  -7.605  -1.610
   63    H    THR  11           H        THR  11   1.085 -11.959   0.976
   64    HA   THR  11           HA       THR  11   0.282 -14.084   2.842
   65    HB   THR  11           HB       THR  11  -0.758 -11.896   3.439
   66    HG1  THR  11           1HG      THR  11  -1.847 -14.165   3.457
   67   HG21  THR  11          3HG2      THR  11  -2.083 -12.159   0.740
   68   HG22  THR  11          1HG2      THR  11  -0.918 -10.921   1.214
   69   HG23  THR  11          2HG2      THR  11  -2.507 -10.976   1.977
   70    H    ASP  12           H        ASP  12  -1.101 -15.692   1.956
   71    HA   ASP  12           HA       ASP  12  -1.244 -15.692  -0.988
   72    HB2  ASP  12           2HB      ASP  12  -1.306 -18.008   0.965
   73    HB3  ASP  12           1HB      ASP  12  -1.540 -18.168  -0.772
   74    H    ARG  13           H        ARG  13  -3.117 -14.180  -0.372
   75    HA   ARG  13           HA       ARG  13  -5.555 -15.777  -0.007
   76    HB2  ARG  13           2HB      ARG  13  -4.577 -13.498   1.568
   77    HB3  ARG  13           1HB      ARG  13  -6.259 -13.372   1.063
   78    HG2  ARG  13           2HG      ARG  13  -6.773 -15.481   2.128
   79    HG3  ARG  13           1HG      ARG  13  -5.072 -15.747   2.504
   80    HD2  ARG  13           2HD      ARG  13  -6.736 -13.472   3.571
   81    HD3  ARG  13           1HD      ARG  13  -6.395 -14.965   4.442
   82    HE   ARG  13           HE       ARG  13  -4.065 -13.516   3.516
   83   HH11  ARG  13          1HH1      ARG  13  -6.293 -14.062   6.174
   84   HH12  ARG  13          2HH1      ARG  13  -5.187 -13.460   7.375
   85   HH21  ARG  13          1HH2      ARG  13  -2.629 -12.756   5.088
   86   HH22  ARG  13          2HH2      ARG  13  -3.089 -12.758   6.764
   87    H    ILE  14           H        ILE  14  -7.528 -14.595  -0.621
   88    HA   ILE  14           HA       ILE  14  -7.082 -12.379  -2.514
   89    HB   ILE  14           HB       ILE  14  -9.251 -14.482  -2.547
   90   HG12  ILE  14          2HG1      ILE  14  -6.776 -14.474  -3.775
   91   HG13  ILE  14          1HG1      ILE  14  -8.160 -15.450  -4.252
   92   HG21  ILE  14          1HG2      ILE  14 -10.214 -13.261  -4.463
   93   HG22  ILE  14          2HG2      ILE  14  -9.068 -11.952  -4.177
   94   HG23  ILE  14          3HG2      ILE  14 -10.285 -12.338  -2.961
   95   HD11  ILE  14          3HD1      ILE  14  -7.275 -14.371  -6.182
   96   HD12  ILE  14          1HD1      ILE  14  -7.338 -12.795  -5.388
   97   HD13  ILE  14          2HD1      ILE  14  -8.834 -13.635  -5.794
   98    H    LEU  15           H        LEU  15  -7.230 -10.821  -0.870
   99    HA   LEU  15           HA       LEU  15  -9.659 -10.732   0.743
  100    HB2  LEU  15           2HB      LEU  15  -7.298  -8.841   0.635
  101    HB3  LEU  15           1HB      LEU  15  -8.683  -8.635   1.690
  102    HG   LEU  15           HG       LEU  15  -6.993  -9.531   3.042
  103   HD11  LEU  15          1HD1      LEU  15  -7.824 -11.751   3.678
  104   HD12  LEU  15          2HD1      LEU  15  -8.780 -11.805   2.198
  105   HD13  LEU  15          3HD1      LEU  15  -9.123 -10.585   3.426
  106   HD21  LEU  15          3HD2      LEU  15  -5.411 -10.241   1.401
  107   HD22  LEU  15          1HD2      LEU  15  -6.481 -11.532   0.847
  108   HD23  LEU  15          2HD2      LEU  15  -5.762 -11.609   2.456
  109    H    HIS  16           H        HIS  16 -10.763  -8.488   0.814
  110    HA   HIS  16           HA       HIS  16 -10.996  -7.514  -1.953
  111    HB2  HIS  16           2HB      HIS  16 -13.262  -8.307  -0.131
  112    HB3  HIS  16           1HB      HIS  16 -13.454  -7.475  -1.667
  113    HD1  HIS  16           1HD      HIS  16 -14.822 -10.073  -1.242
  114    HD2  HIS  16           2HD      HIS  16 -10.975  -9.830  -2.802
  115    HE1  HIS  16           1HE      HIS  16 -14.540 -12.103  -2.600
  116    HE2  HIS  16           2HE      HIS  16 -12.311 -11.877  -3.739
  117    HA   PRO  17           HA       PRO  17 -11.698  -3.425  -0.203
  118    HB2  PRO  17           2HB      PRO  17 -13.949  -2.699  -1.645
  119    HB3  PRO  17           1HB      PRO  17 -12.290  -2.495  -2.213
  120    HG2  PRO  17           2HG      PRO  17 -14.265  -4.643  -2.855
  121    HG3  PRO  17           1HG      PRO  17 -13.084  -3.848  -3.917
  122    HD2  PRO  17           2HD      PRO  17 -12.675  -6.318  -2.919
  123    HD3  PRO  17           1HD      PRO  17 -11.342  -5.168  -3.166
  124    H    LYS  18           H        LYS  18 -14.057  -5.897  -0.568
  125    HA   LYS  18           HA       LYS  18 -16.146  -5.246   1.109
  126    HB2  LYS  18           2HB      LYS  18 -14.762  -7.929   0.824
  127    HB3  LYS  18           1HB      LYS  18 -16.379  -7.700   1.441
  128    HG2  LYS  18           2HG      LYS  18 -16.898  -6.684  -0.855
  129    HG3  LYS  18           1HG      LYS  18 -15.379  -7.418  -1.357
  130    HD2  LYS  18           2HD      LYS  18 -16.214  -9.597  -0.541
  131    HD3  LYS  18           1HD      LYS  18 -17.757  -8.828  -0.165
  132    HE2  LYS  18           2HE      LYS  18 -17.951  -8.188  -2.558
  133    HE3  LYS  18           1HE      LYS  18 -16.478  -9.112  -2.875
  134    HZ1  LYS  18           3HZ      LYS  18 -19.070 -10.156  -1.873
  135    HZ2  LYS  18           1HZ      LYS  18 -17.647 -11.080  -1.973
  136    HZ3  LYS  18           2HZ      LYS  18 -18.358 -10.463  -3.382
  137    H    PHE  19           H        PHE  19 -12.832  -5.989   1.901
  138    HA   PHE  19           HA       PHE  19 -13.535  -6.064   4.764
  139    HB2  PHE  19           2HB      PHE  19 -11.307  -7.608   3.433
  140    HB3  PHE  19           1HB      PHE  19 -11.764  -7.681   5.130
  141    HD1  PHE  19           1HD      PHE  19 -13.729  -8.901   5.835
  142    HD2  PHE  19           2HD      PHE  19 -12.619  -8.718   1.730
  143    HE1  PHE  19           1HE      PHE  19 -15.268 -10.756   5.337
  144    HE2  PHE  19           2HE      PHE  19 -14.160 -10.566   1.226
  145    HZ   PHE  19           HZ       PHE  19 -15.486 -11.590   3.028
  146    H    ILE  20           H        ILE  20 -12.118  -4.165   2.547
  147    HA   ILE  20           HA       ILE  20  -9.752  -3.548   4.184
  148    HB   ILE  20           HB       ILE  20 -10.274  -3.206   1.239
  149   HG12  ILE  20          2HG1      ILE  20  -7.721  -4.191   2.425
  150   HG13  ILE  20          1HG1      ILE  20  -9.128  -5.248   2.517
  151   HG21  ILE  20          1HG2      ILE  20  -8.089  -1.867   2.833
  152   HG22  ILE  20          2HG2      ILE  20  -9.409  -1.066   1.980
  153   HG23  ILE  20          3HG2      ILE  20  -8.173  -1.937   1.073
  154   HD11  ILE  20          3HD1      ILE  20  -9.335  -5.181   0.106
  155   HD12  ILE  20          1HD1      ILE  20  -7.729  -5.723   0.589
  156   HD13  ILE  20          2HD1      ILE  20  -7.965  -4.073   0.009
  157    H    VAL  21           H        VAL  21  -9.768  -1.773   5.348
  158    HA   VAL  21           HA       VAL  21 -11.500   0.457   4.502
  159    HB   VAL  21           HB       VAL  21 -11.546   1.159   6.900
  160   HG11  VAL  21          1HG1      VAL  21 -13.193  -0.504   7.599
  161   HG12  VAL  21          2HG1      VAL  21 -12.639  -1.591   6.324
  162   HG13  VAL  21          3HG1      VAL  21 -13.406  -0.058   5.906
  163   HG21  VAL  21          3HG2      VAL  21 -10.936  -0.476   8.621
  164   HG22  VAL  21          1HG2      VAL  21  -9.536   0.008   7.664
  165   HG23  VAL  21          2HG2      VAL  21 -10.305  -1.552   7.374
  166    H    GLY  22           H        GLY  22  -8.319  -0.564   5.124
  167    HA2  GLY  22           2HA      GLY  22  -7.352   2.173   4.678
  168    HA3  GLY  22           1HA      GLY  22  -6.691   1.244   6.020
  169    H    PHE  23           H        PHE  23  -5.099   2.224   3.911
  170    HA   PHE  23           HA       PHE  23  -3.975  -0.239   2.834
  171    HB2  PHE  23           2HB      PHE  23  -5.400  -0.021   1.096
  172    HB3  PHE  23           1HB      PHE  23  -5.577   1.715   1.297
  173    HD1  PHE  23           1HD      PHE  23  -3.438  -0.944  -0.008
  174    HD2  PHE  23           2HD      PHE  23  -4.242   3.208   0.171
  175    HE1  PHE  23           1HE      PHE  23  -1.882  -0.579  -1.868
  176    HE2  PHE  23           2HE      PHE  23  -2.687   3.593  -1.702
  177    HZ   PHE  23           HZ       PHE  23  -1.515   1.675  -2.692
  178    H    THR  24           H        THR  24  -1.898  -0.108   2.673
  179    HA   THR  24           HA       THR  24  -0.576   2.491   2.428
  180    HB   THR  24           HB       THR  24   0.254   0.384   4.443
  181    HG1  THR  24           1HG      THR  24  -1.039   2.912   4.731
  182   HG21  THR  24          3HG2      THR  24   1.341   3.166   3.957
  183   HG22  THR  24          1HG2      THR  24   2.133   1.665   3.472
  184   HG23  THR  24          2HG2      THR  24   1.898   2.025   5.182
  185    H    ARG  25           H        ARG  25   1.215   2.391   1.072
  186    HA   ARG  25           HA       ARG  25   1.783  -0.281  -0.033
  187    HB2  ARG  25           2HB      ARG  25   2.205   0.820  -2.196
  188    HB3  ARG  25           1HB      ARG  25   0.561   1.076  -1.626
  189    HG2  ARG  25           2HG      ARG  25   1.587   3.295  -0.658
  190    HG3  ARG  25           1HG      ARG  25   2.805   3.019  -1.901
  191    HD2  ARG  25           2HD      ARG  25  -0.164   3.132  -2.399
  192    HD3  ARG  25           1HD      ARG  25   0.937   4.487  -2.617
  193    HE   ARG  25           HE       ARG  25   1.289   1.994  -4.146
  194   HH11  ARG  25          1HH1      ARG  25   0.859   5.452  -3.977
  195   HH12  ARG  25          2HH1      ARG  25   1.029   5.713  -5.686
  196   HH21  ARG  25          1HH2      ARG  25   1.493   2.299  -6.429
  197   HH22  ARG  25          2HH2      ARG  25   1.380   3.908  -7.089
  198    H    GLN  26           H        GLN  26   3.730  -1.010   0.463
  199    HA   GLN  26           HA       GLN  26   5.937   0.861   0.876
  200    HB2  GLN  26           2HB      GLN  26   5.812  -2.140   1.235
  201    HB3  GLN  26           1HB      GLN  26   7.211  -1.138   1.590
  202    HG2  GLN  26           2HG      GLN  26   6.371  -1.227   3.667
  203    HG3  GLN  26           1HG      GLN  26   5.402   0.119   3.077
  204   HE21  GLN  26          1HE2      GLN  26   5.439  -3.198   3.993
  205   HE22  GLN  26          2HE2      GLN  26   3.727  -3.427   4.016
  206    H    LEU  27           H        LEU  27   7.715   0.951  -0.433
  207    HA   LEU  27           HA       LEU  27   7.198  -0.152  -3.109
  208    HB2  LEU  27           2HB      LEU  27   8.722   2.317  -2.286
  209    HB3  LEU  27           1HB      LEU  27   8.620   1.726  -3.929
  210    HG   LEU  27           HG       LEU  27   7.063   3.447  -3.864
  211   HD11  LEU  27          1HD1      LEU  27   4.869   2.400  -4.051
  212   HD12  LEU  27          2HD1      LEU  27   5.496   0.946  -3.275
  213   HD13  LEU  27          3HD1      LEU  27   6.118   1.442  -4.848
  214   HD21  LEU  27          3HD2      LEU  27   5.428   3.798  -2.087
  215   HD22  LEU  27          1HD2      LEU  27   7.076   3.834  -1.460
  216   HD23  LEU  27          2HD2      LEU  27   6.070   2.407  -1.214
  217    H    ALA  28           H        ALA  28   8.966  -0.755  -4.426
  218    HA   ALA  28           HA       ALA  28  11.134  -2.011  -2.943
  219    HB1  ALA  28           1HB      ALA  28   9.854  -3.362  -4.538
  220    HB2  ALA  28           2HB      ALA  28  11.550  -3.242  -5.008
  221    HB3  ALA  28           3HB      ALA  28  10.334  -2.277  -5.844
  222    H    ASN  29           H        ASN  29  10.723   0.931  -3.910
  223    HA   ASN  29           HA       ASN  29  13.494   1.251  -4.827
  224    HB2  ASN  29           2HB      ASN  29  11.085   2.858  -5.714
  225    HB3  ASN  29           1HB      ASN  29  12.755   3.286  -6.076
  226   HD21  ASN  29          1HD2      ASN  29  10.101   1.228  -6.843
  227   HD22  ASN  29          2HD2      ASN  29  10.813   0.462  -8.219
  228    H    GLU  30           H        GLU  30  10.755   3.138  -3.529
  229    HA   GLU  30           HA       GLU  30  12.649   4.494  -1.753
  230    HB2  GLU  30           2HB      GLU  30   9.813   5.214  -2.527
  231    HB3  GLU  30           1HB      GLU  30  10.816   6.140  -1.414
  232    HG2  GLU  30           2HG      GLU  30  12.377   6.653  -3.156
  233    HG3  GLU  30           1HG      GLU  30  11.543   5.580  -4.276
  234    H    GLY  31           H        GLY  31  12.867   2.836  -0.226
  235    HA2  GLY  31           2HA      GLY  31  11.779   2.987   2.144
  236    HA3  GLY  31           1HA      GLY  31  10.472   2.152   1.317
  237    H    CYS  32           H        CYS  32  11.362   0.232  -0.055
  238    HA   CYS  32           HA       CYS  32  13.325  -1.259   1.546
  239    HB2  CYS  32           2HB      CYS  32  10.987  -1.931   2.117
  240    HB3  CYS  32           1HB      CYS  32  10.739  -2.364   0.431
  241    H    ASP  33           H        ASP  33  14.093  -3.257   0.264
  242    HA   ASP  33           HA       ASP  33  14.452  -2.516  -2.523
  243    HB2  ASP  33           2HB      ASP  33  15.887  -4.572  -2.626
  244    HB3  ASP  33           1HB      ASP  33  16.408  -3.392  -1.430
  245    H    ILE  34           H        ILE  34  12.472  -4.543  -0.592
  246    HA   ILE  34           HA       ILE  34  11.211  -5.576  -3.045
  247    HB   ILE  34           HB       ILE  34  10.532  -7.485  -1.984
  248   HG12  ILE  34          2HG1      ILE  34  10.543  -6.072   0.696
  249   HG13  ILE  34          1HG1      ILE  34   9.124  -6.256  -0.330
  250   HG21  ILE  34          1HG2      ILE  34  12.208  -8.315  -0.414
  251   HG22  ILE  34          2HG2      ILE  34  12.781  -6.666  -0.152
  252   HG23  ILE  34          3HG2      ILE  34  12.965  -7.423  -1.735
  253   HD11  ILE  34          3HD1      ILE  34   9.291  -8.688  -0.108
  254   HD12  ILE  34          1HD1      ILE  34   9.128  -7.894   1.458
  255   HD13  ILE  34          2HD1      ILE  34  10.704  -8.486   0.929
  256    H    ASN  35           H        ASN  35   8.701  -5.754  -2.717
  257    HA   ASN  35           HA       ASN  35   7.807  -3.321  -1.308
  258    HB2  ASN  35           2HB      ASN  35   6.134  -3.061  -3.233
  259    HB3  ASN  35           1HB      ASN  35   7.811  -2.649  -3.573
  260   HD21  ASN  35          1HD2      ASN  35   7.478  -2.935  -5.789
  261   HD22  ASN  35          2HD2      ASN  35   7.342  -4.500  -6.502
  262    H    ALA  36           H        ALA  36   5.823  -3.394  -0.311
  263    HA   ALA  36           HA       ALA  36   4.128  -5.730  -0.774
  264    HB1  ALA  36           1HB      ALA  36   5.525  -6.291   1.180
  265    HB2  ALA  36           2HB      ALA  36   3.811  -6.167   1.583
  266    HB3  ALA  36           3HB      ALA  36   4.916  -4.857   2.005
  267    H    ILE  37           H        ILE  37   1.948  -5.363  -0.401
  268    HA   ILE  37           HA       ILE  37   1.204  -2.548  -0.007
  269    HB   ILE  37           HB       ILE  37  -0.336  -4.795  -1.320
  270   HG12  ILE  37          2HG1      ILE  37   1.553  -4.052  -2.686
  271   HG13  ILE  37          1HG1      ILE  37   0.033  -3.540  -3.407
  272   HG21  ILE  37          1HG2      ILE  37  -1.883  -2.997  -2.024
  273   HG22  ILE  37          2HG2      ILE  37  -1.015  -1.890  -0.958
  274   HG23  ILE  37          3HG2      ILE  37  -1.860  -3.282  -0.284
  275   HD11  ILE  37          3HD1      ILE  37   1.900  -1.801  -1.806
  276   HD12  ILE  37          1HD1      ILE  37   0.378  -1.285  -2.528
  277   HD13  ILE  37          2HD1      ILE  37   1.714  -1.794  -3.559
  278    H    ILE  38           H        ILE  38   0.824  -2.328   2.178
  279    HA   ILE  38           HA       ILE  38  -0.449  -4.445   3.662
  280    HB   ILE  38           HB       ILE  38   0.267  -1.628   4.484
  281   HG12  ILE  38          2HG1      ILE  38   1.462  -4.303   5.221
  282   HG13  ILE  38          1HG1      ILE  38   2.180  -3.142   4.111
  283   HG21  ILE  38          1HG2      ILE  38  -1.678  -2.406   5.748
  284   HG22  ILE  38          2HG2      ILE  38  -0.244  -2.319   6.773
  285   HG23  ILE  38          3HG2      ILE  38  -0.810  -3.880   6.182
  286   HD11  ILE  38          3HD1      ILE  38   1.693  -2.732   7.053
  287   HD12  ILE  38          1HD1      ILE  38   2.382  -1.535   5.953
  288   HD13  ILE  38          2HD1      ILE  38   3.248  -3.037   6.278
  289    H    PHE  39           H        PHE  39  -2.517  -4.817   3.084
  290    HA   PHE  39           HA       PHE  39  -4.393  -2.591   2.997
  291    HB2  PHE  39           2HB      PHE  39  -4.787  -5.570   2.678
  292    HB3  PHE  39           1HB      PHE  39  -6.116  -4.416   2.700
  293    HD1  PHE  39           2HD      PHE  39  -5.024  -2.201   1.060
  294    HD2  PHE  39           1HD      PHE  39  -4.771  -6.426   0.565
  295    HE1  PHE  39           2HE      PHE  39  -4.789  -1.903  -1.389
  296    HE2  PHE  39           1HE      PHE  39  -4.535  -6.137  -1.857
  297    HZ   PHE  39           HZ       PHE  39  -4.544  -3.885  -2.828
  298    H    HIS  40           H        HIS  40  -5.312  -1.835   4.751
  299    HA   HIS  40           HA       HIS  40  -5.075  -3.345   7.238
  300    HB2  HIS  40           2HB      HIS  40  -6.177  -0.540   6.901
  301    HB3  HIS  40           1HB      HIS  40  -5.615  -1.300   8.389
  302    HD1  HIS  40           1HD      HIS  40  -3.274  -0.707   9.053
  303    HD2  HIS  40           2HD      HIS  40  -3.954  -0.159   4.990
  304    HE1  HIS  40           1HE      HIS  40  -1.159   0.301   8.120
  305    HE2  HIS  40           2HE      HIS  40  -1.704   0.860   5.740
  306    H    THR  41           H        THR  41  -6.648  -4.782   7.501
  307    HA   THR  41           HA       THR  41  -9.108  -4.552   6.074
  308    HB   THR  41           HB       THR  41  -9.713  -6.671   7.170
  309    HG1  THR  41           1HG      THR  41  -7.140  -6.503   8.400
  310   HG21  THR  41          3HG2      THR  41  -6.922  -6.619   6.015
  311   HG22  THR  41          1HG2      THR  41  -8.423  -6.683   5.089
  312   HG23  THR  41          2HG2      THR  41  -7.967  -8.035   6.126
  313    H    LYS  42           H        LYS  42 -11.218  -4.699   7.004
  314    HA   LYS  42           HA       LYS  42 -11.728  -2.978   9.171
  315    HB2  LYS  42           2HB      LYS  42 -14.025  -3.644   8.870
  316    HB3  LYS  42           1HB      LYS  42 -13.296  -3.428   7.297
  317    HG2  LYS  42           2HG      LYS  42 -13.068  -5.827   7.044
  318    HG3  LYS  42           1HG      LYS  42 -13.746  -6.072   8.655
  319    HD2  LYS  42           2HD      LYS  42 -15.844  -5.037   7.929
  320    HD3  LYS  42           1HD      LYS  42 -15.163  -4.784   6.320
  321    HE2  LYS  42           2HE      LYS  42 -14.939  -7.188   6.025
  322    HE3  LYS  42           1HE      LYS  42 -15.561  -7.459   7.653
  323    HZ1  LYS  42           3HZ      LYS  42 -17.264  -7.790   5.978
  324    HZ2  LYS  42           1HZ      LYS  42 -17.067  -6.204   5.418
  325    HZ3  LYS  42           2HZ      LYS  42 -17.659  -6.483   6.982
  326    H    LYS  43           H        LYS  43 -10.439  -5.989   9.085
  327    HA   LYS  43           HA       LYS  43 -11.562  -6.869  11.609
  328    HB2  LYS  43           2HB      LYS  43 -11.155  -8.424   9.605
  329    HB3  LYS  43           1HB      LYS  43  -9.445  -8.280   9.988
  330    HG2  LYS  43           2HG      LYS  43  -9.895  -9.180  12.235
  331    HG3  LYS  43           1HG      LYS  43 -11.592  -9.386  11.794
  332    HD2  LYS  43           2HD      LYS  43  -9.246 -10.700  10.414
  333    HD3  LYS  43           1HD      LYS  43 -10.303 -11.475  11.592
  334    HE2  LYS  43           2HE      LYS  43 -11.232 -10.316   8.973
  335    HE3  LYS  43           1HE      LYS  43 -10.845 -12.015   9.220
  336    HZ1  LYS  43           3HZ      LYS  43 -13.189 -11.729   9.409
  337    HZ2  LYS  43           1HZ      LYS  43 -13.020 -10.468  10.531
  338    HZ3  LYS  43           2HZ      LYS  43 -12.591 -12.054  10.957
  339    H    LYS  44           H        LYS  44  -9.482  -4.673  10.754
  340    HA   LYS  44           HA       LYS  44  -7.998  -3.421  11.906
  341    HB2  LYS  44           2HB      LYS  44  -8.264  -5.570  14.008
  342    HB3  LYS  44           1HB      LYS  44  -7.230  -4.161  14.198
  343    HG2  LYS  44           2HG      LYS  44 -10.220  -4.118  13.800
  344    HG3  LYS  44           1HG      LYS  44  -9.373  -3.869  15.326
  345    HD2  LYS  44           2HD      LYS  44  -9.128  -2.124  12.878
  346    HD3  LYS  44           1HD      LYS  44 -10.065  -1.742  14.319
  347    HE2  LYS  44           2HE      LYS  44  -8.001  -1.789  15.655
  348    HE3  LYS  44           1HE      LYS  44  -7.075  -2.145  14.197
  349    HZ1  LYS  44           3HZ      LYS  44  -8.677   0.319  14.663
  350    HZ2  LYS  44           1HZ      LYS  44  -7.763  -0.023  13.275
  351    HZ3  LYS  44           2HZ      LYS  44  -6.987   0.205  14.768
  352    H    LEU  45           H        LEU  45  -7.368  -6.731  11.230
  353    HA   LEU  45           HA       LEU  45  -4.568  -6.685  11.722
  354    HB2  LEU  45           2HB      LEU  45  -6.250  -8.511  10.011
  355    HB3  LEU  45           1HB      LEU  45  -4.545  -8.762  10.339
  356    HG   LEU  45           HG       LEU  45  -6.767  -8.765  12.388
  357   HD11  LEU  45          1HD1      LEU  45  -5.058 -10.994  11.292
  358   HD12  LEU  45          2HD1      LEU  45  -6.780 -10.750  10.993
  359   HD13  LEU  45          3HD1      LEU  45  -6.212 -11.141  12.616
  360   HD21  LEU  45          3HD2      LEU  45  -3.812  -9.281  12.731
  361   HD22  LEU  45          1HD2      LEU  45  -5.049  -9.460  13.974
  362   HD23  LEU  45          2HD2      LEU  45  -4.689  -7.866  13.313
  363    H    SER  46           H        SER  46  -2.966  -5.981  10.544
  364    HA   SER  46           HA       SER  46  -3.458  -4.763   7.965
  365    HB2  SER  46           2HB      SER  46  -0.939  -4.224   8.228
  366    HB3  SER  46           1HB      SER  46  -2.064  -3.448   9.341
  367    HG   SER  46           HG       SER  46  -0.082  -4.490  10.245
  368    H    VAL  47           H        VAL  47  -3.472  -6.046   6.231
  369    HA   VAL  47           HA       VAL  47  -1.983  -8.560   6.284
  370    HB   VAL  47           HB       VAL  47  -3.990  -7.520   4.265
  371   HG11  VAL  47          1HG1      VAL  47  -2.754 -10.256   4.578
  372   HG12  VAL  47          2HG1      VAL  47  -2.474  -9.121   3.256
  373   HG13  VAL  47          3HG1      VAL  47  -4.067  -9.847   3.474
  374   HG21  VAL  47          3HG2      VAL  47  -5.549  -9.082   5.297
  375   HG22  VAL  47          1HG2      VAL  47  -4.970  -7.904   6.477
  376   HG23  VAL  47          2HG2      VAL  47  -4.323  -9.546   6.477
  377    H    CYS  48           H        CYS  48  -0.132  -8.874   5.151
  378    HA   CYS  48           HA       CYS  48   0.894  -6.665   3.592
  379    HB2  CYS  48           2HB      CYS  48   2.166  -9.296   4.391
  380    HB3  CYS  48           1HB      CYS  48   2.976  -8.038   3.463
  381    H    ALA  49           H        ALA  49  -0.565  -6.735   1.918
  382    HA   ALA  49           HA       ALA  49  -1.046  -9.084   0.373
  383    HB1  ALA  49           1HB      ALA  49  -1.645  -6.163  -0.155
  384    HB2  ALA  49           2HB      ALA  49  -2.730  -7.343   0.576
  385    HB3  ALA  49           3HB      ALA  49  -2.259  -7.512  -1.115
  386    H    ASN  50           H        ASN  50  -0.104  -9.735  -1.493
  387    HA   ASN  50           HA       ASN  50   2.473  -8.617  -2.113
  388    HB2  ASN  50           2HB      ASN  50   1.403 -10.487  -4.105
  389    HB3  ASN  50           1HB      ASN  50   2.926 -10.538  -3.231
  390   HD21  ASN  50          1HD2      ASN  50   1.215 -10.586  -0.614
  391   HD22  ASN  50          2HD2      ASN  50   0.700 -12.251  -0.558
  392    HA   PRO  51           HA       PRO  51   0.826  -5.722  -5.057
  393    HB2  PRO  51           2HB      PRO  51   3.625  -5.626  -6.015
  394    HB3  PRO  51           1HB      PRO  51   2.595  -4.317  -5.425
  395    HG2  PRO  51           2HG      PRO  51   4.612  -5.257  -3.950
  396    HG3  PRO  51           1HG      PRO  51   3.080  -4.761  -3.203
  397    HD2  PRO  51           2HD      PRO  51   4.082  -7.517  -3.827
  398    HD3  PRO  51           1HD      PRO  51   3.229  -6.927  -2.383
  399    H    LYS  52           H        LYS  52   2.160  -8.692  -5.577
  400    HA   LYS  52           HA       LYS  52   2.396  -8.674  -8.442
  401    HB2  LYS  52           2HB      LYS  52   2.432 -10.927  -6.424
  402    HB3  LYS  52           1HB      LYS  52   2.956 -11.042  -8.108
  403    HG2  LYS  52           2HG      LYS  52   4.656  -9.257  -7.597
  404    HG3  LYS  52           1HG      LYS  52   4.222  -9.444  -5.898
  405    HD2  LYS  52           2HD      LYS  52   4.854 -11.829  -6.034
  406    HD3  LYS  52           1HD      LYS  52   5.356 -11.579  -7.711
  407    HE2  LYS  52           2HE      LYS  52   6.884  -9.756  -6.821
  408    HE3  LYS  52           1HE      LYS  52   6.536 -10.379  -5.213
  409    HZ1  LYS  52           3HZ      LYS  52   7.809 -11.870  -7.442
  410    HZ2  LYS  52           1HZ      LYS  52   7.397 -12.551  -5.942
  411    HZ3  LYS  52           2HZ      LYS  52   8.569 -11.325  -6.031
  412    H    GLN  53           H        GLN  53   0.014  -9.533  -6.079
  413    HA   GLN  53           HA       GLN  53  -1.503 -11.327  -7.680
  414    HB2  GLN  53           2HB      GLN  53  -2.611  -9.782  -5.371
  415    HB3  GLN  53           1HB      GLN  53  -2.923 -11.448  -5.842
  416    HG2  GLN  53           2HG      GLN  53  -0.682 -12.060  -5.142
  417    HG3  GLN  53           1HG      GLN  53  -0.358 -10.404  -4.688
  418   HE21  GLN  53          1HE2      GLN  53  -1.382  -9.522  -2.915
  419   HE22  GLN  53          2HE2      GLN  53  -2.021 -10.547  -1.684
  420    H    THR  54           H        THR  54  -3.162 -10.918  -9.067
  421    HA   THR  54           HA       THR  54  -3.616  -8.297  -9.996
  422    HB   THR  54           HB       THR  54  -5.739  -9.513 -11.006
  423    HG1  THR  54           1HG      THR  54  -4.775 -11.821 -11.286
  424   HG21  THR  54          3HG2      THR  54  -3.839  -8.653 -12.275
  425   HG22  THR  54          1HG2      THR  54  -4.317 -10.245 -12.873
  426   HG23  THR  54          2HG2      THR  54  -2.891 -10.078 -11.847
  427    H    TRP  55           H        TRP  55  -5.359 -10.307  -7.661
  428    HA   TRP  55           HA       TRP  55  -7.584  -8.616  -7.385
  429    HB2  TRP  55           2HB      TRP  55  -8.092  -9.756  -5.376
  430    HB3  TRP  55           1HB      TRP  55  -7.440 -10.938  -6.495
  431    HD1  TRP  55           HD       TRP  55  -5.042 -11.938  -5.861
  432    HE1  TRP  55           1HE      TRP  55  -3.774 -12.061  -3.698
  433    HE3  TRP  55           3HE      TRP  55  -7.613  -8.481  -3.404
  434    HZ2  TRP  55           2HZ      TRP  55  -3.835 -10.777  -1.187
  435    HZ3  TRP  55           3HZ      TRP  55  -6.983  -7.931  -1.198
  436    HH2  TRP  55           HH       TRP  55  -5.160  -9.025  -0.038
  437    H    VAL  56           H        VAL  56  -4.396  -8.540  -6.032
  438    HA   VAL  56           HA       VAL  56  -4.874  -6.326  -4.316
  439    HB   VAL  56           HB       VAL  56  -2.401  -7.671  -5.355
  440   HG11  VAL  56          1HG1      VAL  56  -1.910  -5.271  -5.360
  441   HG12  VAL  56          2HG1      VAL  56  -1.036  -6.117  -4.084
  442   HG13  VAL  56          3HG1      VAL  56  -2.465  -5.159  -3.691
  443   HG21  VAL  56          3HG2      VAL  56  -3.473  -7.134  -2.597
  444   HG22  VAL  56          1HG2      VAL  56  -2.038  -8.077  -2.993
  445   HG23  VAL  56          2HG2      VAL  56  -3.632  -8.650  -3.486
  446    H    LYS  57           H        LYS  57  -3.460  -6.687  -7.563
  447    HA   LYS  57           HA       LYS  57  -2.919  -3.969  -7.989
  448    HB2  LYS  57           2HB      LYS  57  -3.660  -6.015 -10.092
  449    HB3  LYS  57           1HB      LYS  57  -2.804  -4.502 -10.364
  450    HG2  LYS  57           2HG      LYS  57  -0.996  -5.361  -8.864
  451    HG3  LYS  57           1HG      LYS  57  -1.822  -6.918  -8.872
  452    HD2  LYS  57           2HD      LYS  57  -1.651  -6.882 -11.380
  453    HD3  LYS  57           1HD      LYS  57  -0.612  -5.463 -11.216
  454    HE2  LYS  57           2HE      LYS  57   0.855  -6.822  -9.708
  455    HE3  LYS  57           1HE      LYS  57  -0.117  -8.232 -10.137
  456    HZ1  LYS  57           3HZ      LYS  57   1.549  -6.575 -11.956
  457    HZ2  LYS  57           1HZ      LYS  57   0.482  -7.780 -12.493
  458    HZ3  LYS  57           2HZ      LYS  57   1.803  -8.196 -11.518
  459    H    TYR  58           H        TYR  58  -5.858  -5.818  -8.243
  460    HA   TYR  58           HA       TYR  58  -7.413  -3.828  -9.514
  461    HB2  TYR  58           2HB      TYR  58  -8.340  -5.982  -9.581
  462    HB3  TYR  58           1HB      TYR  58  -8.037  -6.261  -7.870
  463    HD1  TYR  58           2HD      TYR  58 -10.023  -3.967 -10.063
  464    HD2  TYR  58           1HD      TYR  58  -9.816  -6.171  -6.434
  465    HE1  TYR  58           2HE      TYR  58 -12.316  -3.274  -9.519
  466    HE2  TYR  58           1HE      TYR  58 -12.106  -5.493  -5.882
  467    HH   TYR  58           HH       TYR  58 -14.216  -4.169  -8.115
  468    H    ILE  59           H        ILE  59  -7.013  -4.775  -6.104
  469    HA   ILE  59           HA       ILE  59  -8.757  -2.781  -5.116
  470    HB   ILE  59           HB       ILE  59  -6.624  -4.315  -3.626
  471   HG12  ILE  59          2HG1      ILE  59  -9.600  -4.808  -3.901
  472   HG13  ILE  59          1HG1      ILE  59  -8.342  -5.721  -4.715
  473   HG21  ILE  59          1HG2      ILE  59  -9.001  -2.754  -2.624
  474   HG22  ILE  59          2HG2      ILE  59  -7.307  -2.298  -2.439
  475   HG23  ILE  59          3HG2      ILE  59  -7.926  -3.739  -1.631
  476   HD11  ILE  59          3HD1      ILE  59  -7.494  -6.493  -2.571
  477   HD12  ILE  59          1HD1      ILE  59  -9.188  -6.927  -2.802
  478   HD13  ILE  59          2HD1      ILE  59  -8.761  -5.580  -1.747
  479    H    VAL  60           H        VAL  60  -5.213  -2.895  -5.483
  480    HA   VAL  60           HA       VAL  60  -4.815  -0.401  -4.153
  481    HB   VAL  60           HB       VAL  60  -2.984  -2.036  -4.350
  482   HG11  VAL  60          1HG1      VAL  60  -1.749  -2.288  -6.447
  483   HG12  VAL  60          2HG1      VAL  60  -2.931  -1.270  -7.270
  484   HG13  VAL  60          3HG1      VAL  60  -3.419  -2.832  -6.619
  485   HG21  VAL  60          3HG2      VAL  60  -2.431   0.278  -3.907
  486   HG22  VAL  60          1HG2      VAL  60  -2.398   0.629  -5.636
  487   HG23  VAL  60          2HG2      VAL  60  -1.199  -0.456  -4.933
  488    H    ARG  61           H        ARG  61  -5.479  -1.318  -7.474
  489    HA   ARG  61           HA       ARG  61  -5.083   1.235  -8.645
  490    HB2  ARG  61           2HB      ARG  61  -5.413  -0.933  -9.897
  491    HB3  ARG  61           1HB      ARG  61  -7.113  -0.866  -9.462
  492    HG2  ARG  61           2HG      ARG  61  -7.278   1.298 -10.665
  493    HG3  ARG  61           1HG      ARG  61  -5.608   1.082 -11.198
  494    HD2  ARG  61           2HD      ARG  61  -6.959   0.302 -12.970
  495    HD3  ARG  61           1HD      ARG  61  -6.358  -1.143 -12.165
  496    HE   ARG  61           HE       ARG  61  -9.032  -0.084 -11.560
  497   HH11  ARG  61          1HH1      ARG  61  -6.958  -2.698 -12.635
  498   HH12  ARG  61          2HH1      ARG  61  -8.253  -3.851 -12.724
  499   HH21  ARG  61          1HH2      ARG  61 -10.742  -1.582 -11.714
  500   HH22  ARG  61          2HH2      ARG  61 -10.406  -3.223 -12.204
  501    H    LEU  62           H        LEU  62  -7.592  -0.233  -6.785
  502    HA   LEU  62           HA       LEU  62  -9.534   1.855  -7.236
  503    HB2  LEU  62           2HB      LEU  62 -10.085  -0.569  -6.862
  504    HB3  LEU  62           1HB      LEU  62  -9.541  -0.379  -5.205
  505    HG   LEU  62           HG       LEU  62 -11.310   1.361  -4.893
  506   HD11  LEU  62          1HD1      LEU  62 -11.634   1.983  -7.224
  507   HD12  LEU  62          2HD1      LEU  62 -13.147   1.425  -6.510
  508   HD13  LEU  62          3HD1      LEU  62 -12.235   0.364  -7.585
  509   HD21  LEU  62          3HD2      LEU  62 -13.119  -0.255  -4.682
  510   HD22  LEU  62          1HD2      LEU  62 -11.590  -0.951  -4.147
  511   HD23  LEU  62          2HD2      LEU  62 -12.251  -1.381  -5.725
  512    H    LEU  63           H        LEU  63  -6.915   1.230  -5.101
  513    HA   LEU  63           HA       LEU  63  -7.947   3.133  -3.116
  514    HB2  LEU  63           2HB      LEU  63  -5.878   0.969  -2.888
  515    HB3  LEU  63           1HB      LEU  63  -6.195   2.140  -1.619
  516    HG   LEU  63           HG       LEU  63  -8.122   0.070  -2.701
  517   HD11  LEU  63          1HD1      LEU  63  -8.030  -0.800  -0.395
  518   HD12  LEU  63          2HD1      LEU  63  -6.767   0.376  -0.028
  519   HD13  LEU  63          3HD1      LEU  63  -6.476  -0.884  -1.227
  520   HD21  LEU  63          3HD2      LEU  63  -8.563   2.183  -0.593
  521   HD22  LEU  63          1HD2      LEU  63  -9.674   0.868  -0.978
  522   HD23  LEU  63          2HD2      LEU  63  -9.328   2.110  -2.182
  523    H    SER  64           H        SER  64  -6.080   3.255  -5.734
  524    HA   SER  64           HA       SER  64  -3.671   4.388  -4.848
  525    HB2  SER  64           2HB      SER  64  -3.963   3.524  -7.122
  526    HB3  SER  64           1HB      SER  64  -5.097   4.822  -7.482
  527    HG   SER  64           HG       SER  64  -2.513   5.423  -6.553
  528    H    LYS  65           H        LYS  65  -6.617   6.028  -6.071
  529    HA   LYS  65           HA       LYS  65  -5.752   8.405  -4.555
  530    HB2  LYS  65           2HB      LYS  65  -6.739   8.322  -7.403
  531    HB3  LYS  65           1HB      LYS  65  -6.690   9.796  -6.452
  532    HG2  LYS  65           2HG      LYS  65  -4.300   8.094  -7.130
  533    HG3  LYS  65           1HG      LYS  65  -4.772   9.581  -7.959
  534    HD2  LYS  65           2HD      LYS  65  -4.544  10.800  -5.825
  535    HD3  LYS  65           1HD      LYS  65  -3.991   9.313  -5.053
  536    HE2  LYS  65           2HE      LYS  65  -2.104  10.727  -5.650
  537    HE3  LYS  65           1HE      LYS  65  -2.083   9.236  -6.596
  538    HZ1  LYS  65           3HZ      LYS  65  -3.229  11.786  -7.590
  539    HZ2  LYS  65           1HZ      LYS  65  -2.902  10.384  -8.483
  540    HZ3  LYS  65           2HZ      LYS  65  -1.625  11.317  -7.878
  541    H    LYS  66           H        LYS  66  -7.945   6.177  -4.417
  542    HA   LYS  66           HA       LYS  66 -10.264   7.978  -4.328
  543    HB2  LYS  66           2HB      LYS  66 -10.220   4.962  -4.433
  544    HB3  LYS  66           1HB      LYS  66 -11.663   5.969  -4.436
  545    HG2  LYS  66           2HG      LYS  66  -9.529   5.972  -6.564
  546    HG3  LYS  66           1HG      LYS  66 -11.082   5.149  -6.673
  547    HD2  LYS  66           2HD      LYS  66 -10.936   8.104  -6.171
  548    HD3  LYS  66           1HD      LYS  66 -10.819   7.452  -7.800
  549    HE2  LYS  66           2HE      LYS  66 -13.097   8.079  -7.366
  550    HE3  LYS  66           1HE      LYS  66 -12.988   6.325  -7.471
  551    HZ1  LYS  66           3HZ      LYS  66 -13.120   6.154  -5.110
  552    HZ2  LYS  66           1HZ      LYS  66 -14.404   7.127  -5.638
  553    HZ3  LYS  66           2HZ      LYS  66 -13.043   7.839  -4.912
  554    H    VAL  67           H        VAL  67  -8.009   6.889  -2.286
  555    HA   VAL  67           HA       VAL  67  -9.756   6.262  -0.050
  556    HB   VAL  67           HB       VAL  67  -6.749   6.615  -0.120
  557   HG11  VAL  67          1HG1      VAL  67  -8.551   5.526   2.041
  558   HG12  VAL  67          2HG1      VAL  67  -7.662   7.049   2.094
  559   HG13  VAL  67          3HG1      VAL  67  -6.787   5.518   2.077
  560   HG21  VAL  67          3HG2      VAL  67  -6.666   4.169   0.006
  561   HG22  VAL  67          1HG2      VAL  67  -7.493   4.714  -1.455
  562   HG23  VAL  67          2HG2      VAL  67  -8.427   4.109  -0.087
  563    H    LYS  68           H        LYS  68 -10.717   7.850   1.045
  564    HA   LYS  68           HA       LYS  68  -9.692  10.559   0.869
  565    HB2  LYS  68           2HB      LYS  68 -12.160   9.896   0.728
  566    HB3  LYS  68           1HB      LYS  68 -12.080   9.656   2.468
  567    HG2  LYS  68           2HG      LYS  68 -12.984  11.847   1.934
  568    HG3  LYS  68           1HG      LYS  68 -11.431  11.996   2.760
  569    HD2  LYS  68           2HD      LYS  68 -11.682  13.547   0.832
  570    HD3  LYS  68           1HD      LYS  68 -10.307  12.452   0.678
  571    HE2  LYS  68           2HE      LYS  68 -11.638  10.989  -0.770
  572    HE3  LYS  68           1HE      LYS  68 -13.005  12.093  -0.620
  573    HZ1  LYS  68           3HZ      LYS  68 -11.720  12.380  -2.684
  574    HZ2  LYS  68           1HZ      LYS  68 -10.368  12.841  -1.768
  575    HZ3  LYS  68           2HZ      LYS  68 -11.774  13.790  -1.743
  576    H    ASN  69           H        ASN  69  -7.784  10.430   2.047
  577    HA   ASN  69           HA       ASN  69  -8.055   9.775   4.890
  578    HB2  ASN  69           2HB      ASN  69  -6.335   8.462   3.849
  579    HB3  ASN  69           1HB      ASN  69  -5.625   9.885   3.100
  580   HD21  ASN  69          1HD2      ASN  69  -4.264  11.166   4.249
  581   HD22  ASN  69          2HD2      ASN  69  -3.691  10.781   5.833
  582    H    MET  70           H        MET  70  -8.496  11.485   6.077
  583    HA   MET  70           HA       MET  70  -6.920  13.935   5.628
  584    HB2  MET  70           2HB      MET  70  -9.335  14.223   5.099
  585    HB3  MET  70           1HB      MET  70  -9.727  13.743   6.747
  586    HG2  MET  70           2HG      MET  70  -8.597  15.684   7.625
  587    HG3  MET  70           1HG      MET  70  -8.068  16.142   6.007
  588    HE1  MET  70           3HE      MET  70 -11.116  15.799   8.456
  589    HE2  MET  70           1HE      MET  70 -11.549  14.704   7.143
  590    HE3  MET  70           2HE      MET  70 -12.471  16.188   7.396
  Start of MODEL   19
    1    H1   ALA   1           1HT      ALA   1  18.084   7.671   7.603
    2    H2   ALA   1           2HT      ALA   1  16.436   7.342   7.358
    3    H3   ALA   1           3HT      ALA   1  17.348   8.074   6.133
    4    HA   ALA   1           HA       ALA   1  18.536   6.174   5.653
    5    HB1  ALA   1           1HB      ALA   1  17.442   5.057   8.227
    6    HB2  ALA   1           2HB      ALA   1  19.115   5.489   7.874
    7    HB3  ALA   1           3HB      ALA   1  18.363   4.126   7.046
    8    H    SER   2           H        SER   2  15.818   4.669   7.296
    9    HA   SER   2           HA       SER   2  14.419   4.427   4.716
   10    HB2  SER   2           2HB      SER   2  14.408   2.311   6.875
   11    HB3  SER   2           1HB      SER   2  13.849   2.168   5.210
   12    HG   SER   2           HG       SER   2  16.076   1.338   5.945
   13    H    ASN   3           H        ASN   3  12.289   4.991   4.792
   14    HA   ASN   3           HA       ASN   3  11.083   5.983   7.161
   15    HB2  ASN   3           2HB      ASN   3  10.327   6.653   4.893
   16    HB3  ASN   3           1HB      ASN   3   9.771   5.010   4.604
   17   HD21  ASN   3          1HD2      ASN   3   9.428   6.653   7.672
   18   HD22  ASN   3          2HD2      ASN   3   7.704   6.797   7.619
   19    H    PHE   4           H        PHE   4  10.442   3.082   5.256
   20    HA   PHE   4           HA       PHE   4  10.055   1.596   7.744
   21    HB2  PHE   4           2HB      PHE   4   8.255   0.271   6.536
   22    HB3  PHE   4           1HB      PHE   4   7.827   1.908   7.004
   23    HD1  PHE   4           1HD      PHE   4   9.506   0.336   4.053
   24    HD2  PHE   4           2HD      PHE   4   6.492   2.973   5.490
   25    HE1  PHE   4           1HE      PHE   4   8.848   0.840   1.739
   26    HE2  PHE   4           2HE      PHE   4   5.835   3.482   3.177
   27    HZ   PHE   4           HZ       PHE   4   7.015   2.407   1.303
   28    H    ASP   5           H        ASP   5  10.430  -0.731   7.490
   29    HA   ASP   5           HA       ASP   5  11.677  -1.433   4.930
   30    HB2  ASP   5           2HB      ASP   5  12.668  -3.409   6.083
   31    HB3  ASP   5           1HB      ASP   5  13.266  -1.871   6.686
   32    H    CYS   6           H        CYS   6  10.436  -2.459   3.631
   33    HA   CYS   6           HA       CYS   6   7.785  -2.958   4.113
   34    HB2  CYS   6           2HB      CYS   6   7.803  -3.904   1.871
   35    HB3  CYS   6           1HB      CYS   6   8.768  -2.449   1.933
   36    H    CYS   7           H        CYS   7   6.650  -5.050   3.689
   37    HA   CYS   7           HA       CYS   7   7.119  -6.859   5.733
   38    HB2  CYS   7           2HB      CYS   7   5.605  -7.374   3.168
   39    HB3  CYS   7           1HB      CYS   7   5.432  -8.268   4.671
   40    H    LEU   8           H        LEU   8   8.444  -8.518   5.987
   41    HA   LEU   8           HA       LEU   8  10.050  -9.467   3.791
   42    HB2  LEU   8           2HB      LEU   8  10.919 -11.064   5.589
   43    HB3  LEU   8           1HB      LEU   8  11.260  -9.356   5.773
   44    HG   LEU   8           HG       LEU   8   9.202  -9.313   7.324
   45   HD11  LEU   8          1HD1      LEU   8   8.307 -11.501   6.748
   46   HD12  LEU   8          2HD1      LEU   8   8.712 -11.410   8.464
   47   HD13  LEU   8          3HD1      LEU   8   9.778 -12.268   7.349
   48   HD21  LEU   8          3HD2      LEU   8  10.554  -9.959   9.235
   49   HD22  LEU   8          1HD2      LEU   8  11.516  -9.047   8.068
   50   HD23  LEU   8          2HD2      LEU   8  11.681 -10.803   8.169
   51    H    GLY   9           H        GLY   9   7.058 -10.202   5.162
   52    HA2  GLY   9           2HA      GLY   9   6.923 -12.641   3.509
   53    HA3  GLY   9           1HA      GLY   9   6.250 -12.615   5.133
   54    H    TYR  10           H        TYR  10   5.090 -12.899   2.350
   55    HA   TYR  10           HA       TYR  10   3.160 -10.676   2.422
   56    HB2  TYR  10           2HB      TYR  10   3.896 -12.585   0.195
   57    HB3  TYR  10           1HB      TYR  10   2.598 -11.413   0.095
   58    HD1  TYR  10           1HD      TYR  10   6.222 -11.434   1.002
   59    HD2  TYR  10           2HD      TYR  10   3.072  -9.487  -1.120
   60    HE1  TYR  10           1HE      TYR  10   7.827  -9.807   0.110
   61    HE2  TYR  10           2HE      TYR  10   4.680  -7.857  -1.997
   62    HH   TYR  10           HH       TYR  10   8.028  -8.293  -1.815
   63    H    THR  11           H        THR  11   1.106 -11.891   0.950
   64    HA   THR  11           HA       THR  11   0.371 -14.280   2.492
   65    HB   THR  11           HB       THR  11  -0.650 -12.132   3.443
   66    HG1  THR  11           1HG      THR  11  -1.561 -14.097   4.003
   67   HG21  THR  11          3HG2      THR  11  -2.347 -12.388   0.958
   68   HG22  THR  11          1HG2      THR  11  -1.219 -11.076   1.302
   69   HG23  THR  11          2HG2      THR  11  -2.648 -11.297   2.310
   70    H    ASP  12           H        ASP  12  -1.110 -15.685   1.447
   71    HA   ASP  12           HA       ASP  12  -1.562 -15.098  -1.399
   72    HB2  ASP  12           2HB      ASP  12  -0.942 -17.723  -0.051
   73    HB3  ASP  12           1HB      ASP  12  -1.686 -17.653  -1.641
   74    H    ARG  13           H        ARG  13  -3.482 -14.042  -0.509
   75    HA   ARG  13           HA       ARG  13  -5.666 -15.990  -0.191
   76    HB2  ARG  13           2HB      ARG  13  -5.314 -13.348   1.222
   77    HB3  ARG  13           1HB      ARG  13  -6.830 -14.233   1.182
   78    HG2  ARG  13           2HG      ARG  13  -5.675 -16.168   2.248
   79    HG3  ARG  13           1HG      ARG  13  -4.243 -15.149   2.421
   80    HD2  ARG  13           2HD      ARG  13  -5.430 -13.613   3.823
   81    HD3  ARG  13           1HD      ARG  13  -6.955 -14.447   3.527
   82    HE   ARG  13           HE       ARG  13  -6.000 -16.350   4.777
   83   HH11  ARG  13          1HH1      ARG  13  -4.553 -13.191   5.209
   84   HH12  ARG  13          2HH1      ARG  13  -3.962 -13.529   6.805
   85   HH21  ARG  13          1HH2      ARG  13  -5.242 -16.810   6.874
   86   HH22  ARG  13          2HH2      ARG  13  -4.372 -15.588   7.767
   87    H    ILE  14           H        ILE  14  -7.814 -14.572  -0.350
   88    HA   ILE  14           HA       ILE  14  -7.525 -12.594  -2.509
   89    HB   ILE  14           HB       ILE  14  -9.840 -14.500  -2.095
   90   HG12  ILE  14          2HG1      ILE  14  -7.707 -15.406  -3.165
   91   HG13  ILE  14          1HG1      ILE  14  -9.200 -15.611  -4.078
   92   HG21  ILE  14          1HG2      ILE  14 -10.764 -13.523  -4.147
   93   HG22  ILE  14          2HG2      ILE  14  -9.452 -12.345  -4.157
   94   HG23  ILE  14          3HG2      ILE  14 -10.630 -12.339  -2.845
   95   HD11  ILE  14          3HD1      ILE  14  -7.379 -14.939  -5.524
   96   HD12  ILE  14          1HD1      ILE  14  -7.115 -13.494  -4.546
   97   HD13  ILE  14          2HD1      ILE  14  -8.616 -13.683  -5.454
   98    H    LEU  15           H        LEU  15  -7.268 -11.101  -0.688
   99    HA   LEU  15           HA       LEU  15  -9.534 -10.702   1.071
  100    HB2  LEU  15           2HB      LEU  15  -6.988  -9.114   0.671
  101    HB3  LEU  15           1HB      LEU  15  -8.239  -8.660   1.817
  102    HG   LEU  15           HG       LEU  15  -6.654  -9.705   3.139
  103   HD11  LEU  15          1HD1      LEU  15  -8.587 -11.882   2.368
  104   HD12  LEU  15          2HD1      LEU  15  -8.811 -10.657   3.619
  105   HD13  LEU  15          3HD1      LEU  15  -7.565 -11.891   3.809
  106   HD21  LEU  15          3HD2      LEU  15  -5.206 -10.480   1.372
  107   HD22  LEU  15          1HD2      LEU  15  -6.328 -11.788   0.990
  108   HD23  LEU  15          2HD2      LEU  15  -5.483 -11.771   2.541
  109    H    HIS  16           H        HIS  16 -10.537  -8.471   1.185
  110    HA   HIS  16           HA       HIS  16 -10.841  -7.444  -1.549
  111    HB2  HIS  16           2HB      HIS  16 -13.028  -8.351   0.302
  112    HB3  HIS  16           1HB      HIS  16 -13.315  -7.354  -1.115
  113    HD1  HIS  16           1HD      HIS  16 -14.560 -10.126  -0.835
  114    HD2  HIS  16           2HD      HIS  16 -10.942  -9.406  -2.731
  115    HE1  HIS  16           1HE      HIS  16 -14.345 -11.902  -2.521
  116    HE2  HIS  16           2HE      HIS  16 -12.277 -11.339  -3.856
  117    HA   PRO  17           HA       PRO  17 -11.398  -3.365   0.311
  118    HB2  PRO  17           2HB      PRO  17 -13.376  -2.411  -1.347
  119    HB3  PRO  17           1HB      PRO  17 -11.661  -2.397  -1.765
  120    HG2  PRO  17           2HG      PRO  17 -13.799  -4.299  -2.598
  121    HG3  PRO  17           1HG      PRO  17 -12.452  -3.638  -3.542
  122    HD2  PRO  17           2HD      PRO  17 -12.428  -6.151  -2.518
  123    HD3  PRO  17           1HD      PRO  17 -10.952  -5.178  -2.710
  124    H    LYS  18           H        LYS  18 -13.765  -5.715  -0.327
  125    HA   LYS  18           HA       LYS  18 -15.973  -5.034   1.154
  126    HB2  LYS  18           2HB      LYS  18 -14.576  -7.701   0.836
  127    HB3  LYS  18           1HB      LYS  18 -16.189  -7.533   1.497
  128    HG2  LYS  18           2HG      LYS  18 -16.970  -6.615  -0.617
  129    HG3  LYS  18           1HG      LYS  18 -15.345  -6.724  -1.276
  130    HD2  LYS  18           2HD      LYS  18 -16.807  -8.564  -2.004
  131    HD3  LYS  18           1HD      LYS  18 -15.403  -9.127  -1.096
  132    HE2  LYS  18           2HE      LYS  18 -17.331 -10.346  -0.359
  133    HE3  LYS  18           1HE      LYS  18 -16.828  -9.255   0.928
  134    HZ1  LYS  18           3HZ      LYS  18 -19.111  -8.882  -0.938
  135    HZ2  LYS  18           1HZ      LYS  18 -18.569  -7.689   0.142
  136    HZ3  LYS  18           2HZ      LYS  18 -19.190  -9.153   0.735
  137    H    PHE  19           H        PHE  19 -12.749  -5.662   2.251
  138    HA   PHE  19           HA       PHE  19 -13.676  -5.538   5.049
  139    HB2  PHE  19           2HB      PHE  19 -11.386  -7.214   4.005
  140    HB3  PHE  19           1HB      PHE  19 -11.826  -7.029   5.698
  141    HD1  PHE  19           1HD      PHE  19 -14.043  -7.900   6.481
  142    HD2  PHE  19           2HD      PHE  19 -12.420  -8.812   2.653
  143    HE1  PHE  19           1HE      PHE  19 -15.542  -9.836   6.309
  144    HE2  PHE  19           2HE      PHE  19 -13.925 -10.748   2.471
  145    HZ   PHE  19           HZ       PHE  19 -15.488 -11.266   4.300
  146    H    ILE  20           H        ILE  20 -12.166  -3.777   2.819
  147    HA   ILE  20           HA       ILE  20  -9.744  -3.252   4.376
  148    HB   ILE  20           HB       ILE  20 -10.381  -2.764   1.506
  149   HG12  ILE  20          2HG1      ILE  20  -9.558  -4.910   1.728
  150   HG13  ILE  20          1HG1      ILE  20  -8.096  -3.991   1.461
  151   HG21  ILE  20          1HG2      ILE  20  -8.192  -1.691   1.272
  152   HG22  ILE  20          2HG2      ILE  20  -7.996  -1.730   3.025
  153   HG23  ILE  20          3HG2      ILE  20  -9.275  -0.754   2.302
  154   HD11  ILE  20          3HD1      ILE  20  -7.709  -3.954   3.902
  155   HD12  ILE  20          1HD1      ILE  20  -7.671  -5.566   3.182
  156   HD13  ILE  20          2HD1      ILE  20  -9.094  -5.037   4.078
  157    H    VAL  21           H        VAL  21  -9.619  -1.538   5.608
  158    HA   VAL  21           HA       VAL  21 -11.207   0.840   4.904
  159    HB   VAL  21           HB       VAL  21 -11.045   1.515   7.273
  160   HG11  VAL  21          1HG1      VAL  21 -13.034   0.376   6.562
  161   HG12  VAL  21          2HG1      VAL  21 -12.600  -0.204   8.171
  162   HG13  VAL  21          3HG1      VAL  21 -12.254  -1.194   6.752
  163   HG21  VAL  21          3HG2      VAL  21 -10.324  -0.143   8.955
  164   HG22  VAL  21          1HG2      VAL  21  -9.007   0.365   7.898
  165   HG23  VAL  21          2HG2      VAL  21  -9.781  -1.199   7.649
  166    H    GLY  22           H        GLY  22  -8.123  -0.435   4.982
  167    HA2  GLY  22           2HA      GLY  22  -6.916   2.199   4.667
  168    HA3  GLY  22           1HA      GLY  22  -6.296   1.206   5.980
  169    H    PHE  23           H        PHE  23  -4.758   2.101   3.806
  170    HA   PHE  23           HA       PHE  23  -3.791  -0.403   2.679
  171    HB2  PHE  23           2HB      PHE  23  -5.237  -0.143   0.973
  172    HB3  PHE  23           1HB      PHE  23  -5.405   1.588   1.211
  173    HD1  PHE  23           2HD      PHE  23  -3.377  -1.060  -0.274
  174    HD2  PHE  23           1HD      PHE  23  -4.031   3.113   0.120
  175    HE1  PHE  23           2HE      PHE  23  -1.850  -0.653  -2.157
  176    HE2  PHE  23           1HE      PHE  23  -2.505   3.530  -1.778
  177    HZ   PHE  23           HZ       PHE  23  -1.424   1.620  -2.879
  178    H    THR  24           H        THR  24  -1.686  -0.312   2.418
  179    HA   THR  24           HA       THR  24  -0.339   2.272   2.158
  180    HB   THR  24           HB       THR  24   0.589   0.111   4.054
  181    HG1  THR  24           1HG      THR  24  -0.134   2.618   5.035
  182   HG21  THR  24          3HG2      THR  24   1.608   2.919   3.584
  183   HG22  THR  24          1HG2      THR  24   2.398   1.429   3.061
  184   HG23  THR  24          2HG2      THR  24   2.224   1.779   4.781
  185    H    ARG  25           H        ARG  25   0.447   1.978   0.105
  186    HA   ARG  25           HA       ARG  25   1.397  -0.618  -0.716
  187    HB2  ARG  25           2HB      ARG  25   1.971   0.504  -2.856
  188    HB3  ARG  25           1HB      ARG  25   0.288   0.696  -2.391
  189    HG2  ARG  25           2HG      ARG  25   0.932   2.968  -1.490
  190    HG3  ARG  25           1HG      ARG  25   2.488   2.741  -2.289
  191    HD2  ARG  25           2HD      ARG  25  -0.235   2.875  -3.568
  192    HD3  ARG  25           1HD      ARG  25   1.110   3.997  -3.764
  193    HE   ARG  25           HE       ARG  25   1.890   1.411  -4.566
  194   HH11  ARG  25          1HH1      ARG  25  -0.196   4.006  -5.591
  195   HH12  ARG  25          2HH1      ARG  25   0.033   3.717  -7.289
  196   HH21  ARG  25          1HH2      ARG  25   2.205   1.007  -6.830
  197   HH22  ARG  25          2HH2      ARG  25   1.377   1.998  -7.985
  198    H    GLN  26           H        GLN  26   3.045  -1.147   0.574
  199    HA   GLN  26           HA       GLN  26   5.147   0.637   1.281
  200    HB2  GLN  26           2HB      GLN  26   4.164  -1.559   2.425
  201    HB3  GLN  26           1HB      GLN  26   5.456  -2.316   1.507
  202    HG2  GLN  26           2HG      GLN  26   7.112  -1.130   2.636
  203    HG3  GLN  26           1HG      GLN  26   5.957   0.026   3.290
  204   HE21  GLN  26          1HE2      GLN  26   5.432  -3.406   3.192
  205   HE22  GLN  26          2HE2      GLN  26   5.498  -3.671   4.900
  206    H    LEU  27           H        LEU  27   6.787   1.188   0.011
  207    HA   LEU  27           HA       LEU  27   7.391  -0.573  -2.261
  208    HB2  LEU  27           2HB      LEU  27   7.429   2.445  -2.141
  209    HB3  LEU  27           1HB      LEU  27   7.949   1.485  -3.514
  210    HG   LEU  27           HG       LEU  27   5.136   1.555  -2.406
  211   HD11  LEU  27          1HD1      LEU  27   6.280   2.752  -4.928
  212   HD12  LEU  27          2HD1      LEU  27   5.757   3.645  -3.499
  213   HD13  LEU  27          3HD1      LEU  27   4.579   2.749  -4.458
  214   HD21  LEU  27          3HD2      LEU  27   4.560   0.282  -4.420
  215   HD22  LEU  27          1HD2      LEU  27   5.686  -0.603  -3.391
  216   HD23  LEU  27          2HD2      LEU  27   6.269   0.195  -4.850
  217    H    ALA  28           H        ALA  28   9.549  -0.191  -3.203
  218    HA   ALA  28           HA       ALA  28  11.493  -0.599  -1.163
  219    HB1  ALA  28           1HB      ALA  28  13.009  -1.029  -3.004
  220    HB2  ALA  28           2HB      ALA  28  11.850  -0.344  -4.145
  221    HB3  ALA  28           3HB      ALA  28  11.463  -1.834  -3.281
  222    H    ASN  29           H        ASN  29  10.726   2.028  -3.349
  223    HA   ASN  29           HA       ASN  29  13.157   3.421  -3.163
  224    HB2  ASN  29           2HB      ASN  29  11.922   5.351  -4.076
  225    HB3  ASN  29           1HB      ASN  29  11.590   3.867  -4.959
  226   HD21  ASN  29          1HD2      ASN  29   9.529   2.970  -4.886
  227   HD22  ASN  29          2HD2      ASN  29   8.178   3.840  -4.237
  228    H    GLU  30           H        GLU  30  10.608   3.152  -0.873
  229    HA   GLU  30           HA       GLU  30  11.370   5.630   0.464
  230    HB2  GLU  30           2HB      GLU  30   9.136   3.668   0.904
  231    HB3  GLU  30           1HB      GLU  30   9.490   4.954   2.050
  232    HG2  GLU  30           2HG      GLU  30   8.824   5.361  -0.855
  233    HG3  GLU  30           1HG      GLU  30   7.687   5.521   0.481
  234    H    GLY  31           H        GLY  31  12.849   2.835   0.377
  235    HA2  GLY  31           2HA      GLY  31  14.649   3.018   2.203
  236    HA3  GLY  31           1HA      GLY  31  13.304   2.730   3.288
  237    H    CYS  32           H        CYS  32  12.063   0.795   1.396
  238    HA   CYS  32           HA       CYS  32  13.581  -1.463   2.351
  239    HB2  CYS  32           2HB      CYS  32  11.010  -1.208   2.361
  240    HB3  CYS  32           1HB      CYS  32  11.132  -1.770   0.690
  241    H    ASP  33           H        ASP  33  13.133  -3.425   0.530
  242    HA   ASP  33           HA       ASP  33  14.470  -2.477  -1.912
  243    HB2  ASP  33           2HB      ASP  33  16.002  -3.840  -0.575
  244    HB3  ASP  33           1HB      ASP  33  14.814  -5.140  -0.510
  245    H    ILE  34           H        ILE  34  12.112  -4.690  -0.502
  246    HA   ILE  34           HA       ILE  34  11.118  -5.240  -3.211
  247    HB   ILE  34           HB       ILE  34  10.080  -7.208  -2.430
  248   HG12  ILE  34          2HG1      ILE  34  10.642  -6.249   0.386
  249   HG13  ILE  34          1HG1      ILE  34   9.057  -6.378  -0.372
  250   HG21  ILE  34          1HG2      ILE  34  12.673  -6.945  -0.911
  251   HG22  ILE  34          2HG2      ILE  34  12.525  -7.321  -2.634
  252   HG23  ILE  34          3HG2      ILE  34  11.909  -8.454  -1.426
  253   HD11  ILE  34          3HD1      ILE  34   9.289  -8.797  -0.472
  254   HD12  ILE  34          1HD1      ILE  34   9.485  -8.212   1.180
  255   HD13  ILE  34          2HD1      ILE  34  10.900  -8.683   0.236
  256    H    ASN  35           H        ASN  35   8.449  -5.748  -2.773
  257    HA   ASN  35           HA       ASN  35   7.460  -3.281  -1.553
  258    HB2  ASN  35           2HB      ASN  35   6.008  -3.027  -3.697
  259    HB3  ASN  35           1HB      ASN  35   7.672  -2.459  -3.709
  260   HD21  ASN  35          1HD2      ASN  35   7.816  -2.600  -5.915
  261   HD22  ASN  35          2HD2      ASN  35   7.942  -4.109  -6.749
  262    H    ALA  36           H        ALA  36   5.991  -3.886  -0.171
  263    HA   ALA  36           HA       ALA  36   4.155  -6.066  -0.906
  264    HB1  ALA  36           1HB      ALA  36   3.850  -6.478   1.476
  265    HB2  ALA  36           2HB      ALA  36   4.958  -5.159   1.856
  266    HB3  ALA  36           3HB      ALA  36   5.553  -6.600   1.028
  267    H    ILE  37           H        ILE  37   2.156  -5.449  -1.328
  268    HA   ILE  37           HA       ILE  37   1.290  -2.754  -0.760
  269    HB   ILE  37           HB       ILE  37  -0.273  -5.024  -1.994
  270   HG12  ILE  37          2HG1      ILE  37   1.768  -4.591  -3.282
  271   HG13  ILE  37          1HG1      ILE  37   0.349  -4.051  -4.170
  272   HG21  ILE  37          1HG2      ILE  37  -1.612  -3.195  -2.995
  273   HG22  ILE  37          2HG2      ILE  37  -0.705  -2.044  -2.013
  274   HG23  ILE  37          3HG2      ILE  37  -1.719  -3.259  -1.235
  275   HD11  ILE  37          3HD1      ILE  37   0.814  -1.751  -3.571
  276   HD12  ILE  37          1HD1      ILE  37   2.219  -2.482  -4.352
  277   HD13  ILE  37          2HD1      ILE  37   2.196  -2.263  -2.600
  278    H    ILE  38           H        ILE  38   0.849  -2.452   1.403
  279    HA   ILE  38           HA       ILE  38  -0.343  -4.583   2.940
  280    HB   ILE  38           HB       ILE  38   0.164  -1.747   3.830
  281   HG12  ILE  38          2HG1      ILE  38   1.959  -4.178   3.983
  282   HG13  ILE  38          1HG1      ILE  38   2.257  -2.697   3.081
  283   HG21  ILE  38          1HG2      ILE  38  -1.382  -2.969   5.239
  284   HG22  ILE  38          2HG2      ILE  38   0.154  -2.741   6.075
  285   HG23  ILE  38          3HG2      ILE  38  -0.241  -4.305   5.365
  286   HD11  ILE  38          3HD1      ILE  38   2.451  -1.441   5.137
  287   HD12  ILE  38          1HD1      ILE  38   3.569  -2.806   5.138
  288   HD13  ILE  38          2HD1      ILE  38   2.073  -2.890   6.077
  289    H    PHE  39           H        PHE  39  -2.455  -4.969   2.693
  290    HA   PHE  39           HA       PHE  39  -4.310  -2.698   2.637
  291    HB2  PHE  39           2HB      PHE  39  -4.812  -5.664   2.304
  292    HB3  PHE  39           1HB      PHE  39  -6.076  -4.445   2.315
  293    HD1  PHE  39           1HD      PHE  39  -5.114  -2.331   0.616
  294    HD2  PHE  39           2HD      PHE  39  -4.607  -6.543   0.231
  295    HE1  PHE  39           1HE      PHE  39  -4.873  -2.074  -1.824
  296    HE2  PHE  39           2HE      PHE  39  -4.353  -6.296  -2.198
  297    HZ   PHE  39           HZ       PHE  39  -4.473  -4.082  -3.230
  298    H    HIS  40           H        HIS  40  -5.251  -2.032   4.439
  299    HA   HIS  40           HA       HIS  40  -4.798  -3.627   6.865
  300    HB2  HIS  40           2HB      HIS  40  -5.672  -0.729   6.694
  301    HB3  HIS  40           1HB      HIS  40  -5.133  -1.585   8.132
  302    HD1  HIS  40           1HD      HIS  40  -2.789  -1.020   8.755
  303    HD2  HIS  40           2HD      HIS  40  -3.411  -0.769   4.664
  304    HE1  HIS  40           1HE      HIS  40  -0.634  -0.146   7.777
  305    HE2  HIS  40           2HE      HIS  40  -1.162   0.286   5.369
  306    H    THR  41           H        THR  41  -6.415  -4.872   7.423
  307    HA   THR  41           HA       THR  41  -9.006  -4.613   6.285
  308    HB   THR  41           HB       THR  41  -9.594  -6.535   7.760
  309    HG1  THR  41           1HG      THR  41  -6.849  -6.518   8.518
  310   HG21  THR  41          3HG2      THR  41  -8.117  -8.142   6.665
  311   HG22  THR  41          1HG2      THR  41  -7.010  -6.842   6.226
  312   HG23  THR  41          2HG2      THR  41  -8.630  -6.894   5.530
  313    H    LYS  42           H        LYS  42 -11.016  -4.529   7.463
  314    HA   LYS  42           HA       LYS  42 -11.223  -2.523   9.413
  315    HB2  LYS  42           2HB      LYS  42 -13.558  -3.255   9.534
  316    HB3  LYS  42           1HB      LYS  42 -13.033  -3.114   7.872
  317    HG2  LYS  42           2HG      LYS  42 -12.697  -5.565   7.822
  318    HG3  LYS  42           1HG      LYS  42 -13.355  -5.656   9.456
  319    HD2  LYS  42           2HD      LYS  42 -14.826  -4.524   7.081
  320    HD3  LYS  42           1HD      LYS  42 -15.013  -6.170   7.677
  321    HE2  LYS  42           2HE      LYS  42 -15.501  -3.723   9.357
  322    HE3  LYS  42           1HE      LYS  42 -16.762  -4.543   8.442
  323    HZ1  LYS  42           3HZ      LYS  42 -15.108  -5.778  10.585
  324    HZ2  LYS  42           1HZ      LYS  42 -16.347  -6.547   9.713
  325    HZ3  LYS  42           2HZ      LYS  42 -16.711  -5.259  10.754
  326    H    LYS  43           H        LYS  43  -9.985  -5.570   9.656
  327    HA   LYS  43           HA       LYS  43 -10.879  -6.028  12.371
  328    HB2  LYS  43           2HB      LYS  43 -10.676  -7.887  10.634
  329    HB3  LYS  43           1HB      LYS  43  -8.931  -7.713  10.804
  330    HG2  LYS  43           2HG      LYS  43  -9.158  -8.197  13.216
  331    HG3  LYS  43           1HG      LYS  43 -10.882  -8.487  12.964
  332    HD2  LYS  43           2HD      LYS  43 -10.317 -10.284  11.374
  333    HD3  LYS  43           1HD      LYS  43  -8.604 -10.010  11.698
  334    HE2  LYS  43           2HE      LYS  43  -9.322 -11.872  13.016
  335    HE3  LYS  43           1HE      LYS  43  -9.044 -10.505  14.095
  336    HZ1  LYS  43           3HZ      LYS  43 -11.480 -10.081  13.983
  337    HZ2  LYS  43           1HZ      LYS  43 -11.069 -11.542  14.734
  338    HZ3  LYS  43           2HZ      LYS  43 -11.658 -11.540  13.143
  339    H    LYS  44           H        LYS  44  -8.725  -4.147  10.909
  340    HA   LYS  44           HA       LYS  44  -7.034  -2.829  11.647
  341    HB2  LYS  44           2HB      LYS  44  -6.998  -4.513  14.154
  342    HB3  LYS  44           1HB      LYS  44  -6.131  -3.004  13.913
  343    HG2  LYS  44           2HG      LYS  44  -8.271  -1.827  13.679
  344    HG3  LYS  44           1HG      LYS  44  -9.120  -3.349  13.956
  345    HD2  LYS  44           2HD      LYS  44  -7.305  -1.905  15.886
  346    HD3  LYS  44           1HD      LYS  44  -9.054  -2.105  16.015
  347    HE2  LYS  44           2HE      LYS  44  -6.968  -4.280  16.163
  348    HE3  LYS  44           1HE      LYS  44  -7.954  -3.665  17.486
  349    HZ1  LYS  44           3HZ      LYS  44  -9.929  -4.434  16.156
  350    HZ2  LYS  44           1HZ      LYS  44  -8.950  -5.660  16.802
  351    HZ3  LYS  44           2HZ      LYS  44  -8.840  -5.265  15.158
  352    H    LEU  45           H        LEU  45  -6.884  -5.999  10.905
  353    HA   LEU  45           HA       LEU  45  -4.049  -6.384  11.332
  354    HB2  LEU  45           2HB      LEU  45  -6.061  -8.029   9.794
  355    HB3  LEU  45           1HB      LEU  45  -4.393  -8.491  10.063
  356    HG   LEU  45           HG       LEU  45  -6.522  -8.179  12.182
  357   HD11  LEU  45          1HD1      LEU  45  -6.270 -10.591  12.441
  358   HD12  LEU  45          2HD1      LEU  45  -5.090 -10.615  11.131
  359   HD13  LEU  45          3HD1      LEU  45  -6.765 -10.181  10.800
  360   HD21  LEU  45          3HD2      LEU  45  -4.316  -7.494  13.013
  361   HD22  LEU  45          1HD2      LEU  45  -3.642  -9.032  12.471
  362   HD23  LEU  45          2HD2      LEU  45  -4.856  -9.004  13.750
  363    H    SER  46           H        SER  46  -2.569  -5.560  10.048
  364    HA   SER  46           HA       SER  46  -3.297  -4.606   7.397
  365    HB2  SER  46           2HB      SER  46  -0.572  -4.445   8.670
  366    HB3  SER  46           1HB      SER  46  -1.262  -3.405   7.431
  367    HG   SER  46           HG       SER  46  -1.958  -3.561  10.180
  368    H    VAL  47           H        VAL  47  -3.332  -6.051   5.849
  369    HA   VAL  47           HA       VAL  47  -1.658  -8.432   6.001
  370    HB   VAL  47           HB       VAL  47  -3.797  -7.745   3.978
  371   HG11  VAL  47          1HG1      VAL  47  -3.876 -10.142   3.581
  372   HG12  VAL  47          2HG1      VAL  47  -2.596 -10.390   4.765
  373   HG13  VAL  47          3HG1      VAL  47  -2.261  -9.508   3.274
  374   HG21  VAL  47          3HG2      VAL  47  -5.323  -9.098   5.312
  375   HG22  VAL  47          1HG2      VAL  47  -4.727  -7.719   6.241
  376   HG23  VAL  47          2HG2      VAL  47  -4.064  -9.331   6.526
  377    H    CYS  48           H        CYS  48   0.042  -8.837   4.643
  378    HA   CYS  48           HA       CYS  48   0.890  -6.636   2.957
  379    HB2  CYS  48           2HB      CYS  48   2.357  -9.186   3.677
  380    HB3  CYS  48           1HB      CYS  48   3.048  -7.793   2.842
  381    H    ALA  49           H        ALA  49  -0.363  -6.705   1.199
  382    HA   ALA  49           HA       ALA  49  -1.078  -9.158  -0.085
  383    HB1  ALA  49           1HB      ALA  49  -1.522  -6.286  -0.902
  384    HB2  ALA  49           2HB      ALA  49  -2.622  -7.271   0.057
  385    HB3  ALA  49           3HB      ALA  49  -2.300  -7.695  -1.626
  386    H    ASN  50           H        ASN  50  -0.489  -9.858  -2.128
  387    HA   ASN  50           HA       ASN  50   2.237  -9.206  -2.855
  388    HB2  ASN  50           2HB      ASN  50   0.302 -11.234  -3.999
  389    HB3  ASN  50           1HB      ASN  50   1.973 -11.051  -4.514
  390   HD21  ASN  50          1HD2      ASN  50   0.912 -10.778  -1.164
  391   HD22  ASN  50          2HD2      ASN  50   1.670 -12.243  -0.645
  392    HA   PRO  51           HA       PRO  51   0.895  -6.451  -6.089
  393    HB2  PRO  51           2HB      PRO  51   3.685  -6.587  -7.003
  394    HB3  PRO  51           1HB      PRO  51   2.756  -5.193  -6.439
  395    HG2  PRO  51           2HG      PRO  51   4.731  -6.271  -4.965
  396    HG3  PRO  51           1HG      PRO  51   3.281  -5.570  -4.227
  397    HD2  PRO  51           2HD      PRO  51   3.956  -8.450  -4.716
  398    HD3  PRO  51           1HD      PRO  51   3.217  -7.691  -3.283
  399    H    LYS  52           H        LYS  52   1.575  -9.600  -6.317
  400    HA   LYS  52           HA       LYS  52   2.043  -9.807  -9.185
  401    HB2  LYS  52           2HB      LYS  52   1.732 -11.927  -7.053
  402    HB3  LYS  52           1HB      LYS  52   2.143 -12.237  -8.734
  403    HG2  LYS  52           2HG      LYS  52   4.238 -11.018  -8.456
  404    HG3  LYS  52           1HG      LYS  52   3.814 -10.676  -6.775
  405    HD2  LYS  52           2HD      LYS  52   5.342 -12.576  -6.918
  406    HD3  LYS  52           1HD      LYS  52   3.767 -13.082  -6.302
  407    HE2  LYS  52           2HE      LYS  52   3.179 -13.753  -8.654
  408    HE3  LYS  52           1HE      LYS  52   4.864 -13.455  -9.082
  409    HZ1  LYS  52           3HZ      LYS  52   3.881 -15.430  -7.090
  410    HZ2  LYS  52           1HZ      LYS  52   5.516 -15.121  -7.430
  411    HZ3  LYS  52           2HZ      LYS  52   4.511 -15.782  -8.626
  412    H    GLN  53           H        GLN  53  -0.585  -9.877  -6.988
  413    HA   GLN  53           HA       GLN  53  -2.112 -11.724  -8.678
  414    HB2  GLN  53           2HB      GLN  53  -3.577 -11.762  -6.479
  415    HB3  GLN  53           1HB      GLN  53  -2.103 -12.718  -6.616
  416    HG2  GLN  53           2HG      GLN  53  -0.894 -10.791  -5.547
  417    HG3  GLN  53           1HG      GLN  53  -2.472 -10.092  -5.213
  418   HE21  GLN  53          1HE2      GLN  53  -2.169 -10.154  -3.034
  419   HE22  GLN  53          2HE2      GLN  53  -2.183 -11.632  -2.128
  420    H    THR  54           H        THR  54  -4.198 -11.298  -9.317
  421    HA   THR  54           HA       THR  54  -4.580  -8.641 -10.155
  422    HB   THR  54           HB       THR  54  -6.913  -9.608 -10.833
  423    HG1  THR  54           1HG      THR  54  -5.703 -12.095 -10.901
  424   HG21  THR  54          3HG2      THR  54  -4.325 -10.613 -12.021
  425   HG22  THR  54          1HG2      THR  54  -5.112  -9.076 -12.386
  426   HG23  THR  54          2HG2      THR  54  -5.893 -10.597 -12.830
  427    H    TRP  55           H        TRP  55  -6.175 -10.517  -7.590
  428    HA   TRP  55           HA       TRP  55  -8.199  -8.662  -7.067
  429    HB2  TRP  55           2HB      TRP  55  -8.550  -9.740  -4.991
  430    HB3  TRP  55           1HB      TRP  55  -8.110 -10.972  -6.157
  431    HD1  TRP  55           HD       TRP  55  -5.801 -12.183  -5.772
  432    HE1  TRP  55           1HE      TRP  55  -4.274 -12.372  -3.769
  433    HE3  TRP  55           3HE      TRP  55  -7.712  -8.451  -3.147
  434    HZ2  TRP  55           2HZ      TRP  55  -3.915 -11.019  -1.285
  435    HZ3  TRP  55           3HZ      TRP  55  -6.779  -7.915  -1.043
  436    HH2  TRP  55           HH       TRP  55  -4.938  -9.137  -0.063
  437    H    VAL  56           H        VAL  56  -4.898  -8.809  -6.091
  438    HA   VAL  56           HA       VAL  56  -4.978  -6.573  -4.339
  439    HB   VAL  56           HB       VAL  56  -2.771  -8.039  -5.759
  440   HG11  VAL  56          1HG1      VAL  56  -1.146  -6.622  -4.644
  441   HG12  VAL  56          2HG1      VAL  56  -2.444  -5.606  -4.017
  442   HG13  VAL  56          3HG1      VAL  56  -2.142  -5.685  -5.753
  443   HG21  VAL  56          3HG2      VAL  56  -3.748  -9.069  -3.793
  444   HG22  VAL  56          1HG2      VAL  56  -3.455  -7.603  -2.861
  445   HG23  VAL  56          2HG2      VAL  56  -2.093  -8.550  -3.463
  446    H    LYS  57           H        LYS  57  -3.957  -7.019  -7.711
  447    HA   LYS  57           HA       LYS  57  -3.254  -4.399  -8.299
  448    HB2  LYS  57           2HB      LYS  57  -4.558  -6.417 -10.139
  449    HB3  LYS  57           1HB      LYS  57  -3.678  -4.985 -10.653
  450    HG2  LYS  57           2HG      LYS  57  -1.628  -5.899  -9.667
  451    HG3  LYS  57           1HG      LYS  57  -2.525  -7.330  -9.153
  452    HD2  LYS  57           2HD      LYS  57  -3.060  -7.821 -11.500
  453    HD3  LYS  57           1HD      LYS  57  -2.120  -6.413 -11.998
  454    HE2  LYS  57           2HE      LYS  57  -0.105  -7.399 -11.062
  455    HE3  LYS  57           1HE      LYS  57  -1.028  -8.788 -10.488
  456    HZ1  LYS  57           3HZ      LYS  57  -1.548  -9.332 -12.797
  457    HZ2  LYS  57           1HZ      LYS  57   0.128  -9.295 -12.543
  458    HZ3  LYS  57           2HZ      LYS  57  -0.649  -8.007 -13.334
  459    H    TYR  58           H        TYR  58  -6.399  -5.959  -8.270
  460    HA   TYR  58           HA       TYR  58  -7.841  -3.830  -9.418
  461    HB2  TYR  58           2HB      TYR  58  -8.922  -5.914  -9.463
  462    HB3  TYR  58           1HB      TYR  58  -8.601  -6.221  -7.760
  463    HD1  TYR  58           2HD      TYR  58 -10.333  -3.569  -9.771
  464    HD2  TYR  58           1HD      TYR  58 -10.435  -6.173  -6.414
  465    HE1  TYR  58           2HE      TYR  58 -12.551  -2.702  -9.174
  466    HE2  TYR  58           1HE      TYR  58 -12.650  -5.321  -5.810
  467    HH   TYR  58           HH       TYR  58 -14.499  -3.316  -7.911
  468    H    ILE  59           H        ILE  59  -7.449  -4.864  -6.005
  469    HA   ILE  59           HA       ILE  59  -9.001  -2.777  -4.944
  470    HB   ILE  59           HB       ILE  59  -6.792  -4.295  -3.553
  471   HG12  ILE  59          2HG1      ILE  59  -9.772  -4.792  -3.559
  472   HG13  ILE  59          1HG1      ILE  59  -8.615  -5.700  -4.522
  473   HG21  ILE  59          1HG2      ILE  59  -9.095  -2.686  -2.450
  474   HG22  ILE  59          2HG2      ILE  59  -7.386  -2.265  -2.359
  475   HG23  ILE  59          3HG2      ILE  59  -7.993  -3.675  -1.495
  476   HD11  ILE  59          3HD1      ILE  59  -7.528  -6.484  -2.498
  477   HD12  ILE  59          1HD1      ILE  59  -9.241  -6.902  -2.509
  478   HD13  ILE  59          2HD1      ILE  59  -8.667  -5.557  -1.520
  479    H    VAL  60           H        VAL  60  -5.487  -3.070  -5.397
  480    HA   VAL  60           HA       VAL  60  -4.834  -0.623  -4.152
  481    HB   VAL  60           HB       VAL  60  -3.172  -2.429  -4.603
  482   HG11  VAL  60          1HG1      VAL  60  -3.749  -3.019  -6.874
  483   HG12  VAL  60          2HG1      VAL  60  -2.068  -2.489  -6.812
  484   HG13  VAL  60          3HG1      VAL  60  -3.311  -1.406  -7.434
  485   HG21  VAL  60          3HG2      VAL  60  -2.459   0.300  -5.669
  486   HG22  VAL  60          1HG2      VAL  60  -1.305  -0.928  -5.150
  487   HG23  VAL  60          2HG2      VAL  60  -2.412  -0.209  -3.981
  488    H    ARG  61           H        ARG  61  -5.928  -1.401  -7.372
  489    HA   ARG  61           HA       ARG  61  -5.179   1.029  -8.631
  490    HB2  ARG  61           2HB      ARG  61  -5.876  -1.114  -9.786
  491    HB3  ARG  61           1HB      ARG  61  -7.531  -0.729  -9.342
  492    HG2  ARG  61           2HG      ARG  61  -7.139  -0.067 -11.617
  493    HG3  ARG  61           1HG      ARG  61  -7.361   1.373 -10.619
  494    HD2  ARG  61           2HD      ARG  61  -5.498   1.589 -12.238
  495    HD3  ARG  61           1HD      ARG  61  -4.982   1.757 -10.561
  496    HE   ARG  61           HE       ARG  61  -4.316  -0.679 -10.777
  497   HH11  ARG  61          1HH1      ARG  61  -4.284   1.563 -13.463
  498   HH12  ARG  61          2HH1      ARG  61  -3.088   0.667 -14.357
  499   HH21  ARG  61          1HH2      ARG  61  -2.735  -1.834 -11.895
  500   HH22  ARG  61          2HH2      ARG  61  -2.189  -1.276 -13.452
  501    H    LEU  62           H        LEU  62  -8.140  -0.052  -7.005
  502    HA   LEU  62           HA       LEU  62  -9.506   2.419  -7.464
  503    HB2  LEU  62           2HB      LEU  62 -10.086   0.107  -5.628
  504    HB3  LEU  62           1HB      LEU  62 -11.128   1.509  -5.768
  505    HG   LEU  62           HG       LEU  62 -10.509  -0.525  -7.902
  506   HD11  LEU  62          1HD1      LEU  62 -13.061   0.258  -6.501
  507   HD12  LEU  62          2HD1      LEU  62 -12.140  -1.222  -6.234
  508   HD13  LEU  62          3HD1      LEU  62 -12.920  -0.936  -7.791
  509   HD21  LEU  62          3HD2      LEU  62 -12.142   2.002  -8.115
  510   HD22  LEU  62          1HD2      LEU  62 -12.007   0.750  -9.350
  511   HD23  LEU  62          2HD2      LEU  62 -10.593   1.704  -8.902
  512    H    LEU  63           H        LEU  63  -7.538   1.080  -4.905
  513    HA   LEU  63           HA       LEU  63  -8.131   3.111  -3.009
  514    HB2  LEU  63           2HB      LEU  63  -5.921   1.094  -3.202
  515    HB3  LEU  63           1HB      LEU  63  -6.021   2.258  -1.889
  516    HG   LEU  63           HG       LEU  63  -8.203   0.280  -2.569
  517   HD11  LEU  63          1HD1      LEU  63  -6.241  -0.894  -1.796
  518   HD12  LEU  63          2HD1      LEU  63  -7.497  -0.914  -0.558
  519   HD13  LEU  63          3HD1      LEU  63  -6.117   0.177  -0.402
  520   HD21  LEU  63          3HD2      LEU  63  -7.817   2.089  -0.187
  521   HD22  LEU  63          1HD2      LEU  63  -9.128   0.932  -0.409
  522   HD23  LEU  63          2HD2      LEU  63  -8.989   2.323  -1.482
  523    H    SER  64           H        SER  64  -5.643   2.696  -5.462
  524    HA   SER  64           HA       SER  64  -4.601   5.370  -4.906
  525    HB2  SER  64           2HB      SER  64  -3.749   3.414  -7.058
  526    HB3  SER  64           1HB      SER  64  -2.883   4.860  -6.542
  527    HG   SER  64           HG       SER  64  -3.380   2.526  -5.002
  528    H    LYS  65           H        LYS  65  -7.043   5.811  -5.473
  529    HA   LYS  65           HA       LYS  65  -7.732   5.877  -8.247
  530    HB2  LYS  65           2HB      LYS  65  -9.727   7.151  -7.464
  531    HB3  LYS  65           1HB      LYS  65  -9.491   5.630  -6.616
  532    HG2  LYS  65           2HG      LYS  65  -8.135   7.506  -5.078
  533    HG3  LYS  65           1HG      LYS  65  -9.608   8.323  -5.590
  534    HD2  LYS  65           2HD      LYS  65  -9.475   5.642  -4.215
  535    HD3  LYS  65           1HD      LYS  65  -9.890   7.165  -3.441
  536    HE2  LYS  65           2HE      LYS  65 -11.989   6.368  -3.846
  537    HE3  LYS  65           1HE      LYS  65 -11.714   7.243  -5.348
  538    HZ1  LYS  65           3HZ      LYS  65 -12.608   5.076  -5.815
  539    HZ2  LYS  65           1HZ      LYS  65 -11.379   4.319  -4.928
  540    HZ3  LYS  65           2HZ      LYS  65 -11.007   5.133  -6.360
  541    H    LYS  66           H        LYS  66  -5.726   6.958  -8.862
  542    HA   LYS  66           HA       LYS  66  -5.301   9.703  -8.071
  543    HB2  LYS  66           2HB      LYS  66  -3.509   7.959  -8.460
  544    HB3  LYS  66           1HB      LYS  66  -3.837   8.110 -10.178
  545    HG2  LYS  66           2HG      LYS  66  -3.115  10.394 -10.172
  546    HG3  LYS  66           1HG      LYS  66  -2.960  10.387  -8.413
  547    HD2  LYS  66           2HD      LYS  66  -1.173   8.770  -8.534
  548    HD3  LYS  66           1HD      LYS  66  -1.388   8.607 -10.276
  549    HE2  LYS  66           2HE      LYS  66  -0.687  10.892 -10.614
  550    HE3  LYS  66           1HE      LYS  66  -0.585  11.153  -8.874
  551    HZ1  LYS  66           3HZ      LYS  66   1.285   9.826  -8.703
  552    HZ2  LYS  66           1HZ      LYS  66   1.551  10.653 -10.158
  553    HZ3  LYS  66           2HZ      LYS  66   1.016   9.044 -10.183
  554    H    VAL  67           H        VAL  67  -7.760   9.313  -9.405
  555    HA   VAL  67           HA       VAL  67  -7.332  10.993 -11.782
  556    HB   VAL  67           HB       VAL  67  -9.336   9.907 -12.822
  557   HG11  VAL  67          1HG1      VAL  67  -7.110   9.336 -13.584
  558   HG12  VAL  67          2HG1      VAL  67  -8.136   7.902 -13.595
  559   HG13  VAL  67          3HG1      VAL  67  -6.952   8.128 -12.306
  560   HG21  VAL  67          3HG2      VAL  67  -8.933   7.853 -10.646
  561   HG22  VAL  67          1HG2      VAL  67 -10.018   7.692 -12.029
  562   HG23  VAL  67          2HG2      VAL  67 -10.315   8.936 -10.813
  563    H    LYS  68           H        LYS  68  -8.256  11.172  -8.807
  564    HA   LYS  68           HA       LYS  68 -10.467  13.004  -9.368
  565    HB2  LYS  68           2HB      LYS  68 -11.435  10.860  -8.590
  566    HB3  LYS  68           1HB      LYS  68 -10.479  10.984  -7.119
  567    HG2  LYS  68           2HG      LYS  68 -11.665  12.999  -6.486
  568    HG3  LYS  68           1HG      LYS  68 -12.573  12.958  -7.996
  569    HD2  LYS  68           2HD      LYS  68 -13.495  10.751  -7.317
  570    HD3  LYS  68           1HD      LYS  68 -12.682  10.939  -5.761
  571    HE2  LYS  68           2HE      LYS  68 -13.965  12.921  -5.281
  572    HE3  LYS  68           1HE      LYS  68 -14.696  12.879  -6.885
  573    HZ1  LYS  68           3HZ      LYS  68 -15.626  10.654  -6.237
  574    HZ2  LYS  68           1HZ      LYS  68 -16.266  11.982  -5.393
  575    HZ3  LYS  68           2HZ      LYS  68 -15.121  10.977  -4.650
  576    H    ASN  69           H        ASN  69 -10.594  14.758  -7.954
  577    HA   ASN  69           HA       ASN  69  -8.113  15.402  -6.652
  578    HB2  ASN  69           2HB      ASN  69  -9.192  17.163  -7.890
  579    HB3  ASN  69           1HB      ASN  69 -10.682  16.958  -6.976
  580   HD21  ASN  69          1HD2      ASN  69  -7.461  16.908  -5.564
  581   HD22  ASN  69          2HD2      ASN  69  -7.656  18.355  -4.641
  582    H    MET  70           H        MET  70  -7.659  14.868  -4.678
  583    HA   MET  70           HA       MET  70  -9.567  15.353  -2.566
  584    HB2  MET  70           2HB      MET  70  -9.120  13.148  -1.484
  585    HB3  MET  70           1HB      MET  70 -10.037  13.034  -2.977
  586    HG2  MET  70           2HG      MET  70  -8.079  12.300  -4.178
  587    HG3  MET  70           1HG      MET  70  -7.080  12.531  -2.744
  588    HE1  MET  70           3HE      MET  70  -7.249  11.068  -0.577
  589    HE2  MET  70           1HE      MET  70  -8.406   9.760  -0.343
  590    HE3  MET  70           2HE      MET  70  -8.968  11.427  -0.437
  Start of MODEL   20
    1    H1   ALA   1           1HT      ALA   1  17.718   8.121   5.211
    2    H2   ALA   1           2HT      ALA   1  18.386   7.098   4.040
    3    H3   ALA   1           3HT      ALA   1  19.354   7.700   5.295
    4    HA   ALA   1           HA       ALA   1  18.782   5.410   5.714
    5    HB1  ALA   1           1HB      ALA   1  17.825   5.698   7.953
    6    HB2  ALA   1           2HB      ALA   1  17.363   7.350   7.541
    7    HB3  ALA   1           3HB      ALA   1  19.069   6.905   7.622
    8    H    SER   2           H        SER   2  17.016   3.945   6.462
    9    HA   SER   2           HA       SER   2  14.883   4.036   4.544
   10    HB2  SER   2           2HB      SER   2  15.328   2.096   6.827
   11    HB3  SER   2           1HB      SER   2  14.263   1.855   5.442
   12    HG   SER   2           HG       SER   2  16.692   1.074   5.579
   13    H    ASN   3           H        ASN   3  12.924   4.903   4.819
   14    HA   ASN   3           HA       ASN   3  12.109   6.023   7.318
   15    HB2  ASN   3           2HB      ASN   3  10.612   5.583   4.726
   16    HB3  ASN   3           1HB      ASN   3   9.889   6.350   6.135
   17   HD21  ASN   3          1HD2      ASN   3  10.357   7.433   3.481
   18   HD22  ASN   3          2HD2      ASN   3  11.367   8.828   3.711
   19    H    PHE   4           H        PHE   4  11.035   3.256   5.392
   20    HA   PHE   4           HA       PHE   4  10.096   1.979   7.866
   21    HB2  PHE   4           2HB      PHE   4   8.223   0.981   6.596
   22    HB3  PHE   4           1HB      PHE   4   8.119   2.729   6.639
   23    HD1  PHE   4           1HD      PHE   4   8.752  -0.185   4.551
   24    HD2  PHE   4           2HD      PHE   4   8.400   4.053   4.640
   25    HE1  PHE   4           1HE      PHE   4   8.598  -0.156   2.101
   26    HE2  PHE   4           2HE      PHE   4   8.254   4.095   2.183
   27    HZ   PHE   4           HZ       PHE   4   8.356   1.986   0.912
   28    H    ASP   5           H        ASP   5   9.896  -0.397   7.593
   29    HA   ASP   5           HA       ASP   5  11.509  -1.457   5.385
   30    HB2  ASP   5           2HB      ASP   5  12.127  -3.345   6.851
   31    HB3  ASP   5           1HB      ASP   5  12.715  -1.805   7.462
   32    H    CYS   6           H        CYS   6  10.269  -2.432   3.983
   33    HA   CYS   6           HA       CYS   6   7.609  -3.017   4.209
   34    HB2  CYS   6           2HB      CYS   6   8.383  -4.741   2.304
   35    HB3  CYS   6           1HB      CYS   6   8.261  -2.999   2.053
   36    H    CYS   7           H        CYS   7   6.591  -5.131   3.900
   37    HA   CYS   7           HA       CYS   7   6.960  -6.774   6.165
   38    HB2  CYS   7           2HB      CYS   7   4.804  -6.301   4.949
   39    HB3  CYS   7           1HB      CYS   7   5.363  -7.395   3.688
   40    H    LEU   8           H        LEU   8   8.155  -8.573   6.429
   41    HA   LEU   8           HA       LEU   8   9.990  -9.306   4.364
   42    HB2  LEU   8           2HB      LEU   8   9.491 -10.564   7.062
   43    HB3  LEU   8           1HB      LEU   8  10.830 -10.951   6.001
   44    HG   LEU   8           HG       LEU   8  10.340  -8.312   7.377
   45   HD11  LEU   8          1HD1      LEU   8  12.511 -10.375   7.719
   46   HD12  LEU   8          2HD1      LEU   8  11.164 -10.109   8.825
   47   HD13  LEU   8          3HD1      LEU   8  12.375  -8.847   8.592
   48   HD21  LEU   8          3HD2      LEU   8  12.525  -9.149   5.474
   49   HD22  LEU   8          1HD2      LEU   8  12.525  -7.667   6.431
   50   HD23  LEU   8          2HD2      LEU   8  11.295  -7.917   5.193
   51    H    GLY   9           H        GLY   9   6.878 -10.391   5.261
   52    HA2  GLY   9           2HA      GLY   9   7.169 -12.630   3.384
   53    HA3  GLY   9           1HA      GLY   9   6.470 -12.928   4.968
   54    H    TYR  10           H        TYR  10   5.713 -12.401   1.826
   55    HA   TYR  10           HA       TYR  10   3.474 -10.628   2.168
   56    HB2  TYR  10           2HB      TYR  10   4.143 -12.454  -0.150
   57    HB3  TYR  10           1HB      TYR  10   2.883 -11.244  -0.144
   58    HD1  TYR  10           2HD      TYR  10   6.519 -11.295   0.721
   59    HD2  TYR  10           1HD      TYR  10   3.357  -9.403  -1.422
   60    HE1  TYR  10           2HE      TYR  10   8.118  -9.660  -0.173
   61    HE2  TYR  10           1HE      TYR  10   4.954  -7.769  -2.322
   62    HH   TYR  10           HH       TYR  10   7.076  -6.877  -2.008
   63    H    THR  11           H        THR  11   1.294 -11.397   1.424
   64    HA   THR  11           HA       THR  11   0.620 -13.762   2.983
   65    HB   THR  11           HB       THR  11  -0.522 -11.489   3.250
   66    HG1  THR  11           1HG      THR  11  -1.430 -13.402   4.114
   67   HG21  THR  11          3HG2      THR  11  -1.882 -12.393   0.708
   68   HG22  THR  11          1HG2      THR  11  -0.840 -10.983   0.882
   69   HG23  THR  11          2HG2      THR  11  -2.393 -11.040   1.720
   70    H    ASP  12           H        ASP  12  -1.537 -14.802   1.976
   71    HA   ASP  12           HA       ASP  12  -1.497 -14.999  -0.918
   72    HB2  ASP  12           2HB      ASP  12   0.077 -16.792  -0.191
   73    HB3  ASP  12           1HB      ASP  12  -1.198 -17.478   0.808
   74    H    ARG  13           H        ARG  13  -3.459 -13.802  -0.332
   75    HA   ARG  13           HA       ARG  13  -5.657 -15.583   0.470
   76    HB2  ARG  13           2HB      ARG  13  -5.494 -12.694   1.315
   77    HB3  ARG  13           1HB      ARG  13  -6.623 -13.923   1.874
   78    HG2  ARG  13           2HG      ARG  13  -4.306 -15.070   2.611
   79    HG3  ARG  13           1HG      ARG  13  -3.865 -13.365   2.730
   80    HD2  ARG  13           2HD      ARG  13  -4.684 -13.943   4.854
   81    HD3  ARG  13           1HD      ARG  13  -5.995 -13.062   4.070
   82    HE   ARG  13           HE       ARG  13  -6.926 -15.348   3.532
   83   HH11  ARG  13          1HH1      ARG  13  -4.859 -14.774   6.305
   84   HH12  ARG  13          2HH1      ARG  13  -5.506 -16.098   7.224
   85   HH21  ARG  13          1HH2      ARG  13  -7.764 -17.112   4.713
   86   HH22  ARG  13          2HH2      ARG  13  -7.180 -17.428   6.320
   87    H    ILE  14           H        ILE  14  -7.813 -14.365   0.077
   88    HA   ILE  14           HA       ILE  14  -7.623 -12.515  -2.202
   89    HB   ILE  14           HB       ILE  14  -9.761 -14.598  -1.738
   90   HG12  ILE  14          2HG1      ILE  14  -7.572 -15.333  -2.782
   91   HG13  ILE  14          1HG1      ILE  14  -9.022 -15.659  -3.732
   92   HG21  ILE  14          1HG2      ILE  14 -10.793 -13.765  -3.809
   93   HG22  ILE  14          2HG2      ILE  14  -9.617 -12.452  -3.847
   94   HG23  ILE  14          3HG2      ILE  14 -10.781 -12.555  -2.526
   95   HD11  ILE  14          3HD1      ILE  14  -7.078 -13.402  -4.144
   96   HD12  ILE  14          1HD1      ILE  14  -8.560 -13.654  -5.066
   97   HD13  ILE  14          2HD1      ILE  14  -7.258 -14.843  -5.153
   98    H    LEU  15           H        LEU  15  -7.608 -10.788  -0.631
   99    HA   LEU  15           HA       LEU  15  -9.983 -10.497   1.032
  100    HB2  LEU  15           2HB      LEU  15  -7.573  -8.694   0.714
  101    HB3  LEU  15           1HB      LEU  15  -8.921  -8.358   1.782
  102    HG   LEU  15           HG       LEU  15  -7.324  -9.191   3.224
  103   HD11  LEU  15          1HD1      LEU  15  -8.913 -11.609   2.384
  104   HD12  LEU  15          2HD1      LEU  15  -9.388 -10.393   3.572
  105   HD13  LEU  15          3HD1      LEU  15  -8.012 -11.451   3.894
  106   HD21  LEU  15          3HD2      LEU  15  -5.687  -9.820   1.560
  107   HD22  LEU  15          1HD2      LEU  15  -6.621 -11.262   1.150
  108   HD23  LEU  15          2HD2      LEU  15  -5.879 -11.114   2.746
  109    H    HIS  16           H        HIS  16 -11.166  -8.394   0.947
  110    HA   HIS  16           HA       HIS  16 -11.260  -7.352  -1.804
  111    HB2  HIS  16           2HB      HIS  16 -13.626  -8.233  -0.153
  112    HB3  HIS  16           1HB      HIS  16 -13.727  -7.378  -1.686
  113    HD1  HIS  16           1HD      HIS  16 -14.968 -10.123  -1.211
  114    HD2  HIS  16           2HD      HIS  16 -11.202  -9.527  -2.854
  115    HE1  HIS  16           1HE      HIS  16 -14.567 -12.092  -2.619
  116    HE2  HIS  16           2HE      HIS  16 -12.465 -11.561  -3.909
  117    HA   PRO  17           HA       PRO  17 -12.476  -3.339   0.074
  118    HB2  PRO  17           2HB      PRO  17 -15.096  -3.716  -1.297
  119    HB3  PRO  17           1HB      PRO  17 -14.026  -2.311  -1.296
  120    HG2  PRO  17           2HG      PRO  17 -14.211  -3.927  -3.427
  121    HG3  PRO  17           1HG      PRO  17 -12.680  -3.164  -2.967
  122    HD2  PRO  17           2HD      PRO  17 -13.554  -6.000  -2.656
  123    HD3  PRO  17           1HD      PRO  17 -11.927  -5.326  -2.907
  124    H    LYS  18           H        LYS  18 -14.645  -6.088  -0.183
  125    HA   LYS  18           HA       LYS  18 -16.361  -5.953   1.911
  126    HB2  LYS  18           2HB      LYS  18 -14.647  -8.242   0.951
  127    HB3  LYS  18           1HB      LYS  18 -15.833  -8.473   2.214
  128    HG2  LYS  18           2HG      LYS  18 -17.609  -7.835   0.676
  129    HG3  LYS  18           1HG      LYS  18 -16.416  -7.548  -0.591
  130    HD2  LYS  18           2HD      LYS  18 -15.771  -9.872  -0.551
  131    HD3  LYS  18           1HD      LYS  18 -16.840 -10.178   0.817
  132    HE2  LYS  18           2HE      LYS  18 -17.830  -9.178  -1.836
  133    HE3  LYS  18           1HE      LYS  18 -17.674 -10.893  -1.454
  134    HZ1  LYS  18           3HZ      LYS  18 -19.372  -8.916  -0.023
  135    HZ2  LYS  18           1HZ      LYS  18 -19.161 -10.537   0.447
  136    HZ3  LYS  18           2HZ      LYS  18 -19.904 -10.173  -1.032
  137    H    PHE  19           H        PHE  19 -12.861  -6.303   2.123
  138    HA   PHE  19           HA       PHE  19 -13.067  -6.447   5.059
  139    HB2  PHE  19           2HB      PHE  19 -11.152  -7.963   3.277
  140    HB3  PHE  19           1HB      PHE  19 -11.063  -7.926   5.033
  141    HD1  PHE  19           2HD      PHE  19 -12.731  -9.062   6.385
  142    HD2  PHE  19           1HD      PHE  19 -12.805  -9.277   2.137
  143    HE1  PHE  19           2HE      PHE  19 -14.262 -10.977   6.516
  144    HE2  PHE  19           1HE      PHE  19 -14.346 -11.196   2.253
  145    HZ   PHE  19           HZ       PHE  19 -15.073 -12.049   4.450
  146    H    ILE  20           H        ILE  20 -12.144  -4.479   2.650
  147    HA   ILE  20           HA       ILE  20  -9.548  -3.788   3.813
  148    HB   ILE  20           HB       ILE  20 -10.672  -3.610   1.116
  149   HG12  ILE  20          2HG1      ILE  20  -8.330  -3.812   0.470
  150   HG13  ILE  20          1HG1      ILE  20  -7.817  -3.475   2.116
  151   HG21  ILE  20          1HG2      ILE  20 -10.727  -1.220   1.590
  152   HG22  ILE  20          2HG2      ILE  20  -9.458  -1.602   0.427
  153   HG23  ILE  20          3HG2      ILE  20  -9.041  -1.275   2.108
  154   HD11  ILE  20          3HD1      ILE  20  -8.812  -5.550   2.867
  155   HD12  ILE  20          1HD1      ILE  20  -7.657  -5.836   1.566
  156   HD13  ILE  20          2HD1      ILE  20  -9.391  -5.880   1.234
  157    H    VAL  21           H        VAL  21  -9.262  -2.028   5.004
  158    HA   VAL  21           HA       VAL  21 -11.356   0.043   4.960
  159    HB   VAL  21           HB       VAL  21 -11.172  -1.500   7.048
  160   HG11  VAL  21          1HG1      VAL  21  -8.795  -1.385   7.391
  161   HG12  VAL  21          2HG1      VAL  21  -9.623  -0.651   8.765
  162   HG13  VAL  21          3HG1      VAL  21  -8.867   0.370   7.540
  163   HG21  VAL  21          3HG2      VAL  21 -11.217   1.498   7.298
  164   HG22  VAL  21          1HG2      VAL  21 -11.803   0.357   8.511
  165   HG23  VAL  21          2HG2      VAL  21 -12.592   0.450   6.936
  166    H    GLY  22           H        GLY  22  -8.167  -0.699   4.356
  167    HA2  GLY  22           2HA      GLY  22  -7.465   1.993   3.780
  168    HA3  GLY  22           1HA      GLY  22  -6.663   1.450   5.246
  169    H    PHE  23           H        PHE  23  -5.393   2.196   2.804
  170    HA   PHE  23           HA       PHE  23  -3.933  -0.296   2.227
  171    HB2  PHE  23           2HB      PHE  23  -5.227  -0.287   0.352
  172    HB3  PHE  23           1HB      PHE  23  -5.456   1.457   0.369
  173    HD1  PHE  23           1HD      PHE  23  -3.228  -1.273  -0.581
  174    HD2  PHE  23           2HD      PHE  23  -3.967   2.901  -0.708
  175    HE1  PHE  23           1HE      PHE  23  -1.512  -1.026  -2.319
  176    HE2  PHE  23           2HE      PHE  23  -2.246   3.154  -2.457
  177    HZ   PHE  23           HZ       PHE  23  -1.048   1.171  -3.237
  178    H    THR  24           H        THR  24  -1.814  -0.058   2.091
  179    HA   THR  24           HA       THR  24  -0.633   2.587   1.688
  180    HB   THR  24           HB       THR  24   0.194   0.786   3.971
  181    HG1  THR  24           1HG      THR  24  -1.492   3.049   3.808
  182   HG21  THR  24          3HG2      THR  24   2.018   2.135   3.000
  183   HG22  THR  24          1HG2      THR  24   1.608   2.660   4.636
  184   HG23  THR  24          2HG2      THR  24   1.051   3.593   3.244
  185    H    ARG  25           H        ARG  25   0.477   2.129  -0.193
  186    HA   ARG  25           HA       ARG  25   1.596  -0.482  -0.575
  187    HB2  ARG  25           2HB      ARG  25   2.264   0.209  -2.757
  188    HB3  ARG  25           1HB      ARG  25   0.646   0.775  -2.450
  189    HG2  ARG  25           2HG      ARG  25   3.006   2.580  -2.165
  190    HG3  ARG  25           1HG      ARG  25   2.226   2.287  -3.716
  191    HD2  ARG  25           2HD      ARG  25   1.137   4.176  -3.023
  192    HD3  ARG  25           1HD      ARG  25   0.052   2.921  -2.425
  193    HE   ARG  25           HE       ARG  25   1.842   3.414  -0.394
  194   HH11  ARG  25          1HH1      ARG  25  -0.604   5.210  -2.155
  195   HH12  ARG  25          2HH1      ARG  25  -0.877   6.354  -0.870
  196   HH21  ARG  25          1HH2      ARG  25   1.488   4.913   1.291
  197   HH22  ARG  25          2HH2      ARG  25   0.310   6.181   1.089
  198    H    GLN  26           H        GLN  26   3.387  -1.162   0.214
  199    HA   GLN  26           HA       GLN  26   5.358   0.692   1.239
  200    HB2  GLN  26           2HB      GLN  26   4.431  -1.862   1.958
  201    HB3  GLN  26           1HB      GLN  26   6.080  -2.106   1.400
  202    HG2  GLN  26           2HG      GLN  26   6.985  -0.818   3.051
  203    HG3  GLN  26           1HG      GLN  26   5.498   0.084   3.307
  204   HE21  GLN  26          1HE2      GLN  26   5.513  -3.375   3.066
  205   HE22  GLN  26          2HE2      GLN  26   5.178  -3.691   4.733
  206    H    LEU  27           H        LEU  27   7.090   1.308   0.074
  207    HA   LEU  27           HA       LEU  27   7.368   0.002  -2.538
  208    HB2  LEU  27           2HB      LEU  27   8.057   2.798  -1.665
  209    HB3  LEU  27           1HB      LEU  27   8.331   2.158  -3.273
  210    HG   LEU  27           HG       LEU  27   5.632   2.486  -1.960
  211   HD11  LEU  27          1HD1      LEU  27   6.646   4.626  -2.541
  212   HD12  LEU  27          2HD1      LEU  27   5.280   4.261  -3.594
  213   HD13  LEU  27          3HD1      LEU  27   6.928   4.055  -4.187
  214   HD21  LEU  27          3HD2      LEU  27   5.716   0.595  -3.503
  215   HD22  LEU  27          1HD2      LEU  27   6.353   1.649  -4.764
  216   HD23  LEU  27          2HD2      LEU  27   4.724   1.904  -4.140
  217    H    ALA  28           H        ALA  28   9.308  -0.495  -3.413
  218    HA   ALA  28           HA       ALA  28  11.543  -0.864  -1.609
  219    HB1  ALA  28           1HB      ALA  28  12.527  -2.107  -3.463
  220    HB2  ALA  28           2HB      ALA  28  11.223  -1.572  -4.526
  221    HB3  ALA  28           3HB      ALA  28  10.871  -2.639  -3.166
  222    H    ASN  29           H        ASN  29  11.230   1.778  -1.771
  223    HA   ASN  29           HA       ASN  29  13.286   2.675  -3.679
  224    HB2  ASN  29           2HB      ASN  29  10.702   4.094  -2.994
  225    HB3  ASN  29           1HB      ASN  29  12.034   4.842  -3.871
  226   HD21  ASN  29          1HD2      ASN  29   9.394   2.620  -4.018
  227   HD22  ASN  29          2HD2      ASN  29   9.453   2.337  -5.720
  228    H    GLU  30           H        GLU  30  11.437   3.948  -0.903
  229    HA   GLU  30           HA       GLU  30  13.730   5.521  -0.113
  230    HB2  GLU  30           2HB      GLU  30  12.135   6.379   1.645
  231    HB3  GLU  30           1HB      GLU  30  11.662   6.661  -0.023
  232    HG2  GLU  30           2HG      GLU  30  10.189   4.659   0.133
  233    HG3  GLU  30           1HG      GLU  30  10.570   4.583   1.852
  234    H    GLY  31           H        GLY  31  14.488   3.005   0.123
  235    HA2  GLY  31           2HA      GLY  31  16.007   2.509   2.045
  236    HA3  GLY  31           1HA      GLY  31  14.568   2.609   3.056
  237    H    CYS  32           H        CYS  32  12.752   1.182   2.181
  238    HA   CYS  32           HA       CYS  32  13.357  -1.497   2.419
  239    HB2  CYS  32           2HB      CYS  32  11.146  -0.982   2.804
  240    HB3  CYS  32           1HB      CYS  32  11.036   0.073   1.400
  241    H    ASP  33           H        ASP  33  13.405  -3.247   0.910
  242    HA   ASP  33           HA       ASP  33  14.077  -2.403  -1.828
  243    HB2  ASP  33           2HB      ASP  33  15.704  -4.166  -1.980
  244    HB3  ASP  33           1HB      ASP  33  16.037  -3.218  -0.536
  245    H    ILE  34           H        ILE  34  11.826  -4.135  -0.034
  246    HA   ILE  34           HA       ILE  34  11.031  -5.536  -2.493
  247    HB   ILE  34           HB       ILE  34  10.127  -7.404  -1.254
  248   HG12  ILE  34          2HG1      ILE  34  11.272  -6.075   1.217
  249   HG13  ILE  34          1HG1      ILE  34   9.561  -6.276   0.852
  250   HG21  ILE  34          1HG2      ILE  34  12.210  -8.434  -0.531
  251   HG22  ILE  34          2HG2      ILE  34  12.972  -6.846  -0.443
  252   HG23  ILE  34          3HG2      ILE  34  12.459  -7.494  -2.004
  253   HD11  ILE  34          3HD1      ILE  34   9.827  -8.705   0.974
  254   HD12  ILE  34          1HD1      ILE  34  10.306  -7.919   2.479
  255   HD13  ILE  34          2HD1      ILE  34  11.537  -8.492   1.353
  256    H    ASN  35           H        ASN  35   9.152  -4.822  -3.228
  257    HA   ASN  35           HA       ASN  35   7.670  -3.015  -1.507
  258    HB2  ASN  35           2HB      ASN  35   6.439  -2.373  -3.545
  259    HB3  ASN  35           1HB      ASN  35   8.177  -2.259  -3.769
  260   HD21  ASN  35          1HD2      ASN  35   9.201  -3.655  -5.205
  261   HD22  ASN  35          2HD2      ASN  35   8.320  -4.617  -6.335
  262    H    ALA  36           H        ALA  36   6.054  -3.615  -0.328
  263    HA   ALA  36           HA       ALA  36   4.359  -5.864  -1.213
  264    HB1  ALA  36           1HB      ALA  36   5.701  -6.452   0.745
  265    HB2  ALA  36           2HB      ALA  36   3.982  -6.404   1.133
  266    HB3  ALA  36           3HB      ALA  36   5.034  -5.076   1.624
  267    H    ILE  37           H        ILE  37   2.179  -5.581  -1.172
  268    HA   ILE  37           HA       ILE  37   1.196  -2.878  -0.824
  269    HB   ILE  37           HB       ILE  37  -0.189  -5.410  -1.724
  270   HG12  ILE  37          2HG1      ILE  37   1.448  -4.618  -3.340
  271   HG13  ILE  37          1HG1      ILE  37  -0.175  -4.312  -3.948
  272   HG21  ILE  37          1HG2      ILE  37  -1.828  -4.007  -0.704
  273   HG22  ILE  37          2HG2      ILE  37  -2.015  -3.894  -2.454
  274   HG23  ILE  37          3HG2      ILE  37  -1.226  -2.592  -1.566
  275   HD11  ILE  37          3HD1      ILE  37   1.278  -2.433  -4.398
  276   HD12  ILE  37          1HD1      ILE  37   1.652  -2.285  -2.680
  277   HD13  ILE  37          2HD1      ILE  37   0.015  -1.975  -3.254
  278    H    ILE  38           H        ILE  38   0.690  -2.241   1.206
  279    HA   ILE  38           HA       ILE  38  -0.131  -4.249   3.149
  280    HB   ILE  38           HB       ILE  38   0.309  -1.296   3.607
  281   HG12  ILE  38          2HG1      ILE  38   2.373  -2.319   2.813
  282   HG13  ILE  38          1HG1      ILE  38   2.502  -1.967   4.531
  283   HG21  ILE  38          1HG2      ILE  38  -1.075  -2.363   5.306
  284   HG22  ILE  38          2HG2      ILE  38   0.504  -1.936   5.965
  285   HG23  ILE  38          3HG2      ILE  38   0.151  -3.610   5.533
  286   HD11  ILE  38          3HD1      ILE  38   3.478  -4.117   3.989
  287   HD12  ILE  38          1HD1      ILE  38   1.932  -4.661   3.324
  288   HD13  ILE  38          2HD1      ILE  38   2.072  -4.309   5.047
  289    H    PHE  39           H        PHE  39  -2.217  -4.788   2.748
  290    HA   PHE  39           HA       PHE  39  -4.221  -2.674   2.632
  291    HB2  PHE  39           2HB      PHE  39  -4.401  -5.670   2.359
  292    HB3  PHE  39           1HB      PHE  39  -5.833  -4.659   2.523
  293    HD1  PHE  39           1HD      PHE  39  -4.909  -2.323   0.844
  294    HD2  PHE  39           2HD      PHE  39  -4.711  -6.527   0.227
  295    HE1  PHE  39           1HE      PHE  39  -4.939  -1.960  -1.594
  296    HE2  PHE  39           2HE      PHE  39  -4.728  -6.180  -2.198
  297    HZ   PHE  39           HZ       PHE  39  -4.834  -3.908  -3.112
  298    H    HIS  40           H        HIS  40  -5.053  -1.893   4.404
  299    HA   HIS  40           HA       HIS  40  -4.732  -3.324   6.927
  300    HB2  HIS  40           2HB      HIS  40  -5.995  -0.602   6.530
  301    HB3  HIS  40           1HB      HIS  40  -5.326  -1.271   8.014
  302    HD1  HIS  40           1HD      HIS  40  -2.974  -0.589   8.539
  303    HD2  HIS  40           2HD      HIS  40  -3.918  -0.122   4.518
  304    HE1  HIS  40           1HE      HIS  40  -0.999   0.592   7.484
  305    HE2  HIS  40           2HE      HIS  40  -1.699   1.056   5.129
  306    H    THR  41           H        THR  41  -6.309  -4.645   7.561
  307    HA   THR  41           HA       THR  41  -8.737  -4.690   6.023
  308    HB   THR  41           HB       THR  41  -9.251  -6.734   7.383
  309    HG1  THR  41           1HG      THR  41  -6.564  -6.608   8.253
  310   HG21  THR  41          3HG2      THR  41  -8.170  -6.865   5.191
  311   HG22  THR  41          1HG2      THR  41  -7.563  -8.116   6.279
  312   HG23  THR  41          2HG2      THR  41  -6.591  -6.677   5.959
  313    H    LYS  42           H        LYS  42 -10.820  -4.859   6.911
  314    HA   LYS  42           HA       LYS  42 -11.620  -3.068   8.891
  315    HB2  LYS  42           2HB      LYS  42 -13.040  -4.070   7.103
  316    HB3  LYS  42           1HB      LYS  42 -12.999  -5.600   7.962
  317    HG2  LYS  42           2HG      LYS  42 -14.131  -4.493   9.877
  318    HG3  LYS  42           1HG      LYS  42 -14.266  -3.033   8.893
  319    HD2  LYS  42           2HD      LYS  42 -15.392  -5.725   8.120
  320    HD3  LYS  42           1HD      LYS  42 -16.322  -4.434   8.883
  321    HE2  LYS  42           2HE      LYS  42 -14.831  -4.048   6.295
  322    HE3  LYS  42           1HE      LYS  42 -16.491  -4.637   6.346
  323    HZ1  LYS  42           3HZ      LYS  42 -17.196  -2.623   7.385
  324    HZ2  LYS  42           1HZ      LYS  42 -16.303  -2.206   6.009
  325    HZ3  LYS  42           2HZ      LYS  42 -15.600  -2.062   7.541
  326    H    LYS  43           H        LYS  43  -9.869  -5.843   9.246
  327    HA   LYS  43           HA       LYS  43 -10.790  -6.315  11.978
  328    HB2  LYS  43           2HB      LYS  43  -9.231  -8.099  10.104
  329    HB3  LYS  43           1HB      LYS  43  -9.541  -8.482  11.792
  330    HG2  LYS  43           2HG      LYS  43 -11.624  -8.107   9.647
  331    HG3  LYS  43           1HG      LYS  43 -11.090  -9.645  10.326
  332    HD2  LYS  43           2HD      LYS  43 -11.902  -8.924  12.540
  333    HD3  LYS  43           1HD      LYS  43 -12.471  -7.416  11.823
  334    HE2  LYS  43           2HE      LYS  43 -13.921  -8.739  10.317
  335    HE3  LYS  43           1HE      LYS  43 -13.416 -10.200  11.165
  336    HZ1  LYS  43           3HZ      LYS  43 -14.394  -9.403  13.173
  337    HZ2  LYS  43           1HZ      LYS  43 -15.555  -9.265  11.944
  338    HZ3  LYS  43           2HZ      LYS  43 -14.724  -7.887  12.488
  339    H    LYS  44           H        LYS  44  -8.839  -4.291  10.713
  340    HA   LYS  44           HA       LYS  44  -7.135  -3.040  11.536
  341    HB2  LYS  44           2HB      LYS  44  -7.109  -5.078  13.750
  342    HB3  LYS  44           1HB      LYS  44  -5.965  -3.748  13.669
  343    HG2  LYS  44           2HG      LYS  44  -7.944  -2.189  13.650
  344    HG3  LYS  44           1HG      LYS  44  -8.948  -3.599  14.006
  345    HD2  LYS  44           2HD      LYS  44  -7.607  -4.033  16.015
  346    HD3  LYS  44           1HD      LYS  44  -6.632  -2.609  15.664
  347    HE2  LYS  44           2HE      LYS  44  -8.267  -2.069  17.350
  348    HE3  LYS  44           1HE      LYS  44  -8.659  -1.214  15.858
  349    HZ1  LYS  44           3HZ      LYS  44 -10.558  -2.305  17.073
  350    HZ2  LYS  44           1HZ      LYS  44  -9.915  -3.797  16.589
  351    HZ3  LYS  44           2HZ      LYS  44 -10.428  -2.672  15.426
  352    H    LEU  45           H        LEU  45  -6.764  -6.344  10.787
  353    HA   LEU  45           HA       LEU  45  -3.958  -6.572  11.115
  354    HB2  LEU  45           2HB      LEU  45  -5.809  -8.163   9.340
  355    HB3  LEU  45           1HB      LEU  45  -4.170  -8.611   9.765
  356    HG   LEU  45           HG       LEU  45  -6.455  -8.372  11.726
  357   HD11  LEU  45          1HD1      LEU  45  -5.128 -10.802  10.537
  358   HD12  LEU  45          2HD1      LEU  45  -6.767 -10.242  10.206
  359   HD13  LEU  45          3HD1      LEU  45  -6.341 -10.815  11.817
  360   HD21  LEU  45          3HD2      LEU  45  -4.903  -9.448  13.287
  361   HD22  LEU  45          1HD2      LEU  45  -4.285  -7.893  12.732
  362   HD23  LEU  45          2HD2      LEU  45  -3.633  -9.388  12.065
  363    H    SER  46           H        SER  46  -2.461  -5.554   9.987
  364    HA   SER  46           HA       SER  46  -2.972  -4.515   7.355
  365    HB2  SER  46           2HB      SER  46  -0.499  -3.898   7.506
  366    HB3  SER  46           1HB      SER  46  -1.548  -3.179   8.725
  367    HG   SER  46           HG       SER  46  -0.035  -5.551   9.122
  368    H    VAL  47           H        VAL  47  -3.196  -5.991   5.817
  369    HA   VAL  47           HA       VAL  47  -1.744  -8.490   5.905
  370    HB   VAL  47           HB       VAL  47  -3.720  -7.436   3.872
  371   HG11  VAL  47          1HG1      VAL  47  -2.277  -9.128   2.898
  372   HG12  VAL  47          2HG1      VAL  47  -3.904  -9.769   3.135
  373   HG13  VAL  47          3HG1      VAL  47  -2.608 -10.213   4.250
  374   HG21  VAL  47          3HG2      VAL  47  -4.726  -7.716   6.066
  375   HG22  VAL  47          1HG2      VAL  47  -4.096  -9.360   6.166
  376   HG23  VAL  47          2HG2      VAL  47  -5.313  -8.953   4.956
  377    H    CYS  48           H        CYS  48   0.005  -9.009   4.710
  378    HA   CYS  48           HA       CYS  48   1.225  -6.918   3.120
  379    HB2  CYS  48           2HB      CYS  48   2.294  -9.699   3.613
  380    HB3  CYS  48           1HB      CYS  48   3.193  -8.265   3.113
  381    H    ALA  49           H        ALA  49  -0.463  -6.947   1.572
  382    HA   ALA  49           HA       ALA  49  -1.100  -9.272   0.074
  383    HB1  ALA  49           1HB      ALA  49  -1.639  -6.349  -0.480
  384    HB2  ALA  49           2HB      ALA  49  -2.697  -7.452   0.399
  385    HB3  ALA  49           3HB      ALA  49  -2.390  -7.708  -1.320
  386    H    ASN  50           H        ASN  50  -0.517  -9.847  -1.964
  387    HA   ASN  50           HA       ASN  50   2.139  -8.979  -2.709
  388    HB2  ASN  50           2HB      ASN  50   0.364 -11.076  -3.979
  389    HB3  ASN  50           1HB      ASN  50   2.054 -10.795  -4.367
  390   HD21  ASN  50          1HD2      ASN  50   0.733 -10.779  -1.090
  391   HD22  ASN  50          2HD2      ASN  50   1.514 -12.244  -0.597
  392    HA   PRO  51           HA       PRO  51   0.570  -6.114  -5.767
  393    HB2  PRO  51           2HB      PRO  51   3.350  -6.234  -6.760
  394    HB3  PRO  51           1HB      PRO  51   2.412  -4.844  -6.211
  395    HG2  PRO  51           2HG      PRO  51   4.412  -5.851  -4.731
  396    HG3  PRO  51           1HG      PRO  51   2.942  -5.192  -3.987
  397    HD2  PRO  51           2HD      PRO  51   3.724  -8.046  -4.444
  398    HD3  PRO  51           1HD      PRO  51   2.938  -7.305  -3.025
  399    H    LYS  52           H        LYS  52   1.379  -9.217  -6.050
  400    HA   LYS  52           HA       LYS  52   1.678  -9.429  -8.933
  401    HB2  LYS  52           2HB      LYS  52   1.674 -11.493  -6.720
  402    HB3  LYS  52           1HB      LYS  52   2.039 -11.826  -8.414
  403    HG2  LYS  52           2HG      LYS  52   3.992 -10.396  -8.305
  404    HG3  LYS  52           1HG      LYS  52   3.608  -9.963  -6.640
  405    HD2  LYS  52           2HD      LYS  52   5.350 -11.637  -6.665
  406    HD3  LYS  52           1HD      LYS  52   3.873 -12.328  -5.994
  407    HE2  LYS  52           2HE      LYS  52   3.407 -13.487  -8.028
  408    HE3  LYS  52           1HE      LYS  52   4.701 -12.640  -8.875
  409    HZ1  LYS  52           3HZ      LYS  52   5.124 -14.490  -6.587
  410    HZ2  LYS  52           1HZ      LYS  52   6.325 -13.759  -7.533
  411    HZ3  LYS  52           2HZ      LYS  52   5.301 -14.926  -8.217
  412    H    GLN  53           H        GLN  53  -0.775  -9.622  -6.550
  413    HA   GLN  53           HA       GLN  53  -2.340 -11.621  -8.000
  414    HB2  GLN  53           2HB      GLN  53  -3.477 -10.459  -5.551
  415    HB3  GLN  53           1HB      GLN  53  -3.248 -12.148  -5.993
  416    HG2  GLN  53           2HG      GLN  53  -0.884 -12.001  -5.337
  417    HG3  GLN  53           1HG      GLN  53  -1.108 -10.303  -4.957
  418   HE21  GLN  53          1HE2      GLN  53  -2.131  -9.698  -3.120
  419   HE22  GLN  53          2HE2      GLN  53  -2.504 -10.816  -1.856
  420    H    THR  54           H        THR  54  -4.198 -11.149  -9.095
  421    HA   THR  54           HA       THR  54  -4.656  -8.502  -9.919
  422    HB   THR  54           HB       THR  54  -6.906  -9.531 -10.762
  423    HG1  THR  54           1HG      THR  54  -7.104 -11.635 -10.535
  424   HG21  THR  54          3HG2      THR  54  -5.727 -10.452 -12.704
  425   HG22  THR  54          1HG2      THR  54  -4.208 -10.396 -11.803
  426   HG23  THR  54          2HG2      THR  54  -5.058  -8.898 -12.198
  427    H    TRP  55           H        TRP  55  -6.238 -10.420  -7.403
  428    HA   TRP  55           HA       TRP  55  -8.405  -8.693  -6.982
  429    HB2  TRP  55           2HB      TRP  55  -8.760  -9.753  -4.901
  430    HB3  TRP  55           1HB      TRP  55  -8.184 -10.985  -6.008
  431    HD1  TRP  55           HD       TRP  55  -5.850 -12.052  -5.458
  432    HE1  TRP  55           1HE      TRP  55  -4.377 -12.057  -3.409
  433    HE3  TRP  55           3HE      TRP  55  -8.015  -8.279  -3.102
  434    HZ2  TRP  55           2HZ      TRP  55  -4.161 -10.552  -0.993
  435    HZ3  TRP  55           3HZ      TRP  55  -7.177  -7.585  -1.008
  436    HH2  TRP  55           HH       TRP  55  -5.312  -8.660   0.088
  437    H    VAL  56           H        VAL  56  -5.124  -8.639  -5.936
  438    HA   VAL  56           HA       VAL  56  -5.308  -6.355  -4.257
  439    HB   VAL  56           HB       VAL  56  -3.037  -7.761  -5.643
  440   HG11  VAL  56          1HG1      VAL  56  -1.475  -6.252  -4.522
  441   HG12  VAL  56          2HG1      VAL  56  -2.829  -5.252  -3.993
  442   HG13  VAL  56          3HG1      VAL  56  -2.464  -5.410  -5.711
  443   HG21  VAL  56          3HG2      VAL  56  -3.699  -7.273  -2.749
  444   HG22  VAL  56          1HG2      VAL  56  -2.341  -8.220  -3.359
  445   HG23  VAL  56          2HG2      VAL  56  -3.995  -8.769  -3.641
  446    H    LYS  57           H        LYS  57  -4.311  -6.866  -7.618
  447    HA   LYS  57           HA       LYS  57  -3.669  -4.243  -8.270
  448    HB2  LYS  57           2HB      LYS  57  -4.805  -6.409 -10.048
  449    HB3  LYS  57           1HB      LYS  57  -3.992  -4.955 -10.612
  450    HG2  LYS  57           2HG      LYS  57  -1.937  -5.642  -9.560
  451    HG3  LYS  57           1HG      LYS  57  -2.733  -7.052  -8.862
  452    HD2  LYS  57           2HD      LYS  57  -3.162  -7.907 -11.123
  453    HD3  LYS  57           1HD      LYS  57  -2.329  -6.507 -11.804
  454    HE2  LYS  57           2HE      LYS  57  -0.272  -7.167 -10.671
  455    HE3  LYS  57           1HE      LYS  57  -1.104  -8.541  -9.943
  456    HZ1  LYS  57           3HZ      LYS  57  -0.767  -8.143 -12.867
  457    HZ2  LYS  57           1HZ      LYS  57  -1.404  -9.520 -12.094
  458    HZ3  LYS  57           2HZ      LYS  57   0.236  -9.121 -11.909
  459    H    TYR  58           H        TYR  58  -6.788  -5.871  -8.259
  460    HA   TYR  58           HA       TYR  58  -8.259  -3.773  -9.425
  461    HB2  TYR  58           2HB      TYR  58  -9.465  -5.739  -9.377
  462    HB3  TYR  58           1HB      TYR  58  -8.922  -6.160  -7.755
  463    HD1  TYR  58           2HD      TYR  58 -10.784  -3.241  -9.219
  464    HD2  TYR  58           1HD      TYR  58 -10.666  -6.317  -6.281
  465    HE1  TYR  58           2HE      TYR  58 -12.893  -2.409  -8.269
  466    HE2  TYR  58           1HE      TYR  58 -12.773  -5.501  -5.333
  467    HH   TYR  58           HH       TYR  58 -14.765  -3.229  -6.913
  468    H    ILE  59           H        ILE  59  -7.797  -4.708  -6.008
  469    HA   ILE  59           HA       ILE  59  -9.240  -2.577  -4.912
  470    HB   ILE  59           HB       ILE  59  -7.019  -4.183  -3.648
  471   HG12  ILE  59          2HG1      ILE  59 -10.025  -4.458  -3.428
  472   HG13  ILE  59          1HG1      ILE  59  -9.001  -5.469  -4.430
  473   HG21  ILE  59          1HG2      ILE  59  -7.336  -2.101  -2.434
  474   HG22  ILE  59          2HG2      ILE  59  -7.991  -3.446  -1.500
  475   HG23  ILE  59          3HG2      ILE  59  -9.076  -2.373  -2.379
  476   HD11  ILE  59          3HD1      ILE  59  -8.831  -5.256  -1.441
  477   HD12  ILE  59          1HD1      ILE  59  -7.860  -6.307  -2.473
  478   HD13  ILE  59          2HD1      ILE  59  -9.602  -6.559  -2.347
  479    H    VAL  60           H        VAL  60  -5.735  -2.942  -5.455
  480    HA   VAL  60           HA       VAL  60  -5.001  -0.500  -4.273
  481    HB   VAL  60           HB       VAL  60  -3.374  -2.288  -4.692
  482   HG11  VAL  60          1HG1      VAL  60  -2.385  -2.528  -6.957
  483   HG12  VAL  60          2HG1      VAL  60  -3.681  -1.513  -7.595
  484   HG13  VAL  60          3HG1      VAL  60  -4.059  -3.072  -6.862
  485   HG21  VAL  60          3HG2      VAL  60  -2.515  -0.071  -4.307
  486   HG22  VAL  60          1HG2      VAL  60  -2.695   0.332  -6.016
  487   HG23  VAL  60          2HG2      VAL  60  -1.521  -0.885  -5.517
  488    H    ARG  61           H        ARG  61  -6.109  -1.234  -7.545
  489    HA   ARG  61           HA       ARG  61  -5.359   1.208  -8.729
  490    HB2  ARG  61           2HB      ARG  61  -6.186  -0.746 -10.023
  491    HB3  ARG  61           1HB      ARG  61  -7.801  -0.456  -9.390
  492    HG2  ARG  61           2HG      ARG  61  -7.529   1.901 -10.387
  493    HG3  ARG  61           1HG      ARG  61  -6.206   1.187 -11.308
  494    HD2  ARG  61           2HD      ARG  61  -9.030   0.138 -11.272
  495    HD3  ARG  61           1HD      ARG  61  -8.386   1.221 -12.503
  496    HE   ARG  61           HE       ARG  61  -6.677  -0.939 -12.436
  497   HH11  ARG  61          1HH1      ARG  61 -10.088  -0.431 -12.980
  498   HH12  ARG  61          2HH1      ARG  61 -10.235  -1.716 -14.140
  499   HH21  ARG  61          1HH2      ARG  61  -6.863  -2.667 -13.963
  500   HH22  ARG  61          2HH2      ARG  61  -8.423  -3.000 -14.671
  501    H    LEU  62           H        LEU  62  -8.344   0.211  -7.099
  502    HA   LEU  62           HA       LEU  62  -9.593   2.767  -7.326
  503    HB2  LEU  62           2HB      LEU  62 -10.157   0.300  -5.724
  504    HB3  LEU  62           1HB      LEU  62 -11.021   1.784  -5.379
  505    HG   LEU  62           HG       LEU  62 -11.820   1.835  -7.730
  506   HD11  LEU  62          1HD1      LEU  62 -10.061   0.562  -8.791
  507   HD12  LEU  62          2HD1      LEU  62 -11.629  -0.189  -9.089
  508   HD13  LEU  62          3HD1      LEU  62 -10.533  -0.879  -7.890
  509   HD21  LEU  62          3HD2      LEU  62 -12.467  -0.676  -6.196
  510   HD22  LEU  62          1HD2      LEU  62 -13.439   0.018  -7.492
  511   HD23  LEU  62          2HD2      LEU  62 -13.222   0.904  -5.982
  512    H    LEU  63           H        LEU  63  -7.718   1.144  -4.834
  513    HA   LEU  63           HA       LEU  63  -7.937   3.185  -2.872
  514    HB2  LEU  63           2HB      LEU  63  -6.321   0.737  -3.269
  515    HB3  LEU  63           1HB      LEU  63  -5.694   1.926  -2.144
  516    HG   LEU  63           HG       LEU  63  -7.053   0.082  -1.114
  517   HD11  LEU  63          1HD1      LEU  63  -6.652   2.125   0.079
  518   HD12  LEU  63          2HD1      LEU  63  -8.300   1.577   0.381
  519   HD13  LEU  63          3HD1      LEU  63  -8.006   2.912  -0.734
  520   HD21  LEU  63          3HD2      LEU  63  -9.336   1.507  -2.466
  521   HD22  LEU  63          1HD2      LEU  63  -9.490   0.261  -1.227
  522   HD23  LEU  63          2HD2      LEU  63  -8.787  -0.138  -2.797
  523    H    SER  64           H        SER  64  -6.311   3.136  -5.789
  524    HA   SER  64           HA       SER  64  -4.128   4.835  -4.913
  525    HB2  SER  64           2HB      SER  64  -3.669   3.164  -6.639
  526    HB3  SER  64           1HB      SER  64  -4.913   3.866  -7.674
  527    HG   SER  64           HG       SER  64  -2.521   4.473  -7.912
  528    H    LYS  65           H        LYS  65  -6.755   5.135  -7.346
  529    HA   LYS  65           HA       LYS  65  -6.708   8.034  -6.850
  530    HB2  LYS  65           2HB      LYS  65  -6.553   6.734  -9.571
  531    HB3  LYS  65           1HB      LYS  65  -6.772   8.455  -9.290
  532    HG2  LYS  65           2HG      LYS  65  -4.594   8.478  -8.099
  533    HG3  LYS  65           1HG      LYS  65  -4.374   6.789  -8.563
  534    HD2  LYS  65           2HD      LYS  65  -3.188   8.171 -10.129
  535    HD3  LYS  65           1HD      LYS  65  -4.593   7.484 -10.946
  536    HE2  LYS  65           2HE      LYS  65  -4.412   9.799 -11.558
  537    HE3  LYS  65           1HE      LYS  65  -5.812   9.605 -10.503
  538    HZ1  LYS  65           3HZ      LYS  65  -4.443  10.390  -8.639
  539    HZ2  LYS  65           1HZ      LYS  65  -4.561  11.545  -9.873
  540    HZ3  LYS  65           2HZ      LYS  65  -3.142  10.641  -9.702
  541    H    LYS  66           H        LYS  66  -8.673   5.807  -6.246
  542    HA   LYS  66           HA       LYS  66 -10.963   7.104  -7.575
  543    HB2  LYS  66           2HB      LYS  66 -10.824   4.815  -8.342
  544    HB3  LYS  66           1HB      LYS  66 -10.697   4.226  -6.692
  545    HG2  LYS  66           2HG      LYS  66 -12.921   3.892  -7.738
  546    HG3  LYS  66           1HG      LYS  66 -12.962   4.802  -6.228
  547    HD2  LYS  66           2HD      LYS  66 -14.442   5.830  -7.834
  548    HD3  LYS  66           1HD      LYS  66 -13.073   6.899  -7.529
  549    HE2  LYS  66           2HE      LYS  66 -12.016   6.042  -9.614
  550    HE3  LYS  66           1HE      LYS  66 -13.478   5.104  -9.923
  551    HZ1  LYS  66           3HZ      LYS  66 -13.553   7.174 -11.136
  552    HZ2  LYS  66           1HZ      LYS  66 -13.310   8.060  -9.706
  553    HZ3  LYS  66           2HZ      LYS  66 -14.744   7.182  -9.927
  554    H    VAL  67           H        VAL  67 -12.081   8.327  -6.244
  555    HA   VAL  67           HA       VAL  67 -12.073   7.679  -3.374
  556    HB   VAL  67           HB       VAL  67 -12.073  10.451  -4.590
  557   HG11  VAL  67          1HG1      VAL  67 -11.835   9.569  -1.717
  558   HG12  VAL  67          2HG1      VAL  67 -13.253  10.314  -2.454
  559   HG13  VAL  67          3HG1      VAL  67 -11.754  11.230  -2.300
  560   HG21  VAL  67          3HG2      VAL  67  -9.794  10.653  -3.705
  561   HG22  VAL  67          1HG2      VAL  67  -9.914   9.374  -4.915
  562   HG23  VAL  67          2HG2      VAL  67  -9.847   8.964  -3.202
  563    H    LYS  68           H        LYS  68 -14.019   7.429  -2.519
  564    HA   LYS  68           HA       LYS  68 -16.318   8.777  -3.724
  565    HB2  LYS  68           2HB      LYS  68 -15.849   5.869  -3.598
  566    HB3  LYS  68           1HB      LYS  68 -17.438   6.393  -3.060
  567    HG2  LYS  68           2HG      LYS  68 -17.828   7.482  -5.186
  568    HG3  LYS  68           1HG      LYS  68 -16.209   7.044  -5.733
  569    HD2  LYS  68           2HD      LYS  68 -17.991   5.549  -6.602
  570    HD3  LYS  68           1HD      LYS  68 -16.760   4.704  -5.663
  571    HE2  LYS  68           2HE      LYS  68 -19.027   3.919  -5.132
  572    HE3  LYS  68           1HE      LYS  68 -18.240   4.645  -3.734
  573    HZ1  LYS  68           3HZ      LYS  68 -20.241   5.992  -5.477
  574    HZ2  LYS  68           1HZ      LYS  68 -19.507   6.662  -4.105
  575    HZ3  LYS  68           2HZ      LYS  68 -20.549   5.340  -3.948
  576    H    ASN  69           H        ASN  69 -15.513   6.480  -1.118
  577    HA   ASN  69           HA       ASN  69 -17.461   7.918   0.552
  578    HB2  ASN  69           2HB      ASN  69 -17.644   5.834   1.870
  579    HB3  ASN  69           1HB      ASN  69 -18.105   5.619   0.184
  580   HD21  ASN  69          1HD2      ASN  69 -15.762   4.860   2.639
  581   HD22  ASN  69          2HD2      ASN  69 -14.959   3.610   1.758
  582    H    MET  70           H        MET  70 -17.059   8.430   2.637
  583    HA   MET  70           HA       MET  70 -14.558   7.779   3.927
  584    HB2  MET  70           2HB      MET  70 -14.059   9.831   2.534
  585    HB3  MET  70           1HB      MET  70 -15.263  10.693   3.475
  586    HG2  MET  70           2HG      MET  70 -12.862   9.364   4.704
  587    HG3  MET  70           1HG      MET  70 -12.859  11.036   4.151
  588    HE1  MET  70           3HE      MET  70 -12.028  11.723   6.621
  589    HE2  MET  70           1HE      MET  70 -12.113  10.038   7.137
  590    HE3  MET  70           2HE      MET  70 -12.904  11.293   8.091