==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JUL-97 1BGP . COMPND 2 MOLECULE: BARLEY GRAIN PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR A.HENRIKSEN . 309 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 3 1 1 2 0 0 0 0 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 95 0, 0.0 126,-0.2 0, 0.0 277,-0.1 0.000 360.0 360.0 360.0-175.2 -1.5 8.1 23.2 2 2 A E - 0 0 110 124,-0.1 277,-0.1 277,-0.0 126,-0.1 -0.892 360.0-114.0-110.9 140.8 0.9 5.1 23.3 3 3 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 276,-0.1 -0.358 37.9 -97.2 -70.9 151.3 3.2 4.2 20.4 4 4 A P - 0 0 80 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.501 40.6-123.9 -70.0 137.8 2.6 0.9 18.5 5 5 A V - 0 0 63 -2,-0.2 3,-0.1 -3,-0.1 278,-0.1 -0.740 17.7-135.8 -90.0 129.4 4.9 -1.9 19.7 6 6 A A > - 0 0 27 -2,-0.5 3,-2.1 1,-0.1 281,-0.0 -0.450 41.1 -78.6 -79.8 151.5 7.1 -3.7 17.2 7 7 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.239 118.8 19.7 -51.7 125.8 7.5 -7.5 17.2 8 8 A G T 3 S+ 0 0 45 1,-0.4 2,-0.2 -3,-0.1 284,-0.2 0.033 106.3 93.7 102.7 -28.4 9.8 -8.6 20.0 9 9 A L < + 0 0 11 -3,-2.1 -1,-0.4 282,-0.1 2,-0.3 -0.564 47.0 170.2 -95.1 161.9 9.6 -5.4 22.0 10 10 A S B > -A 130 0A 49 120,-2.2 120,-2.4 -2,-0.2 3,-0.9 -0.965 38.3-102.1-166.2 152.6 7.2 -4.8 24.9 11 11 A F T 3 S+ 0 0 35 -2,-0.3 4,-0.1 1,-0.3 116,-0.0 -0.519 111.1 22.9 -74.1 151.4 6.6 -2.2 27.7 12 12 A D T > S+ 0 0 92 116,-0.4 3,-2.0 -2,-0.2 4,-0.3 0.814 75.7 155.9 59.4 31.8 7.8 -3.5 31.0 13 13 A F T < S+ 0 0 84 -3,-0.9 4,-0.3 1,-0.3 3,-0.3 0.815 77.2 43.1 -56.8 -31.7 10.3 -5.8 29.2 14 14 A Y T 3> S+ 0 0 11 1,-0.2 4,-2.6 4,-0.1 -1,-0.3 0.274 78.5 115.9 -99.6 11.3 12.4 -5.8 32.4 15 15 A W T <4 S+ 0 0 51 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.869 89.7 26.6 -46.7 -47.1 9.5 -6.1 34.8 16 16 A Q T 4 S+ 0 0 192 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.912 127.7 42.3 -84.7 -47.4 10.7 -9.5 36.0 17 17 A T T 4 S- 0 0 80 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.896 139.2 -4.2 -68.5 -46.0 14.5 -9.2 35.4 18 18 A a >< + 0 0 6 -4,-2.6 3,-1.4 1,-0.1 4,-0.3 -0.588 64.8 175.9-152.9 83.3 15.1 -5.7 36.6 19 19 A P T 3 S+ 0 0 79 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.847 81.4 51.6 -59.0 -38.1 11.8 -3.8 37.6 20 20 A R T 3> S+ 0 0 144 1,-0.2 4,-2.2 2,-0.1 3,-0.3 0.372 77.1 106.3 -85.6 8.7 13.6 -0.7 38.8 21 21 A A H <> S+ 0 0 0 -3,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.923 79.9 47.2 -51.3 -53.7 15.6 -0.2 35.6 22 22 A E H > S+ 0 0 58 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.831 110.4 52.7 -60.4 -34.9 13.5 2.7 34.3 23 23 A S H > S+ 0 0 58 -3,-0.3 4,-2.8 -4,-0.2 -1,-0.2 0.909 107.5 51.8 -68.0 -41.4 13.6 4.5 37.7 24 24 A I H X S+ 0 0 16 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.900 109.6 49.0 -62.6 -42.6 17.4 4.3 37.8 25 25 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.943 113.3 47.1 -64.0 -45.2 17.8 5.8 34.4 26 26 A R H X S+ 0 0 57 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.931 110.7 50.7 -62.1 -48.2 15.4 8.7 35.2 27 27 A E H X S+ 0 0 117 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.870 112.4 48.0 -58.5 -37.3 17.1 9.4 38.6 28 28 A F H X S+ 0 0 60 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.951 113.2 46.8 -68.6 -49.3 20.5 9.5 36.8 29 29 A V H X S+ 0 0 1 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.903 108.3 55.8 -60.0 -43.3 19.2 11.8 34.0 30 30 A Q H X S+ 0 0 98 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.941 115.1 38.2 -54.9 -49.8 17.5 14.2 36.4 31 31 A E H X S+ 0 0 80 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.918 116.9 50.5 -68.6 -44.4 20.7 14.8 38.4 32 32 A A H X S+ 0 0 16 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.900 112.8 45.6 -61.9 -43.7 23.0 14.8 35.3 33 33 A V H < S+ 0 0 3 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.824 106.0 60.5 -70.4 -31.8 20.8 17.3 33.4 34 34 A R H < S+ 0 0 169 -4,-1.5 3,-0.3 -5,-0.4 -1,-0.2 0.930 111.0 41.0 -59.9 -43.3 20.6 19.5 36.5 35 35 A K H < S+ 0 0 146 -4,-1.7 2,-0.2 1,-0.3 -1,-0.2 0.755 133.8 21.5 -74.1 -28.4 24.4 19.8 36.4 36 36 A D >< - 0 0 63 -4,-1.4 3,-2.1 -5,-0.2 4,-0.4 -0.724 63.8-172.2-146.3 91.3 24.5 20.2 32.6 37 37 A I T >> S+ 0 0 83 -3,-0.3 3,-1.5 1,-0.3 4,-0.6 0.855 85.9 62.6 -52.0 -39.0 21.2 21.3 31.0 38 38 A G H 3> S+ 0 0 10 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.678 84.3 77.7 -63.5 -18.2 22.7 20.7 27.5 39 39 A L H <> S+ 0 0 9 -3,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.861 86.8 60.1 -60.3 -34.2 23.0 17.0 28.3 40 40 A A H <> S+ 0 0 2 -3,-1.5 4,-2.5 -4,-0.4 -1,-0.2 0.944 108.0 43.0 -58.7 -49.5 19.2 16.7 27.7 41 41 A A H X S+ 0 0 14 -4,-0.6 4,-2.7 1,-0.2 5,-0.3 0.916 113.3 53.9 -62.8 -41.4 19.6 17.9 24.1 42 42 A G H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.920 111.8 42.9 -59.2 -47.8 22.7 15.7 23.7 43 43 A L H X S+ 0 0 4 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.905 113.3 52.0 -66.0 -43.4 20.9 12.6 24.8 44 44 A L H X S+ 0 0 14 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.924 113.8 43.5 -61.0 -44.0 17.8 13.3 22.8 45 45 A R H X S+ 0 0 85 -4,-2.7 4,-3.4 2,-0.2 -1,-0.2 0.875 108.6 58.8 -69.4 -37.2 19.8 13.9 19.6 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.927 105.9 48.8 -57.5 -45.2 22.0 10.8 20.3 47 47 A H H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.915 114.6 45.5 -60.6 -45.8 18.9 8.6 20.3 48 48 A F H X S+ 0 0 56 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.954 113.9 48.5 -61.1 -52.6 17.7 10.1 17.0 49 49 A H H X S+ 0 0 1 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.932 113.8 46.1 -54.4 -52.1 21.1 9.9 15.4 50 50 A D H <>S+ 0 0 1 -4,-2.9 5,-1.0 -5,-0.2 7,-0.3 0.918 108.9 55.8 -59.6 -47.2 21.6 6.3 16.4 51 51 A b H <5S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.882 110.6 44.2 -55.4 -40.8 18.1 5.3 15.3 52 52 A F H <5S+ 0 0 1 -4,-2.1 2,-1.2 -5,-0.1 -1,-0.2 0.826 98.5 76.1 -76.5 -30.1 18.7 6.6 11.8 53 53 A V T <5S- 0 0 0 -4,-1.8 2,-0.4 -5,-0.2 4,-0.3 -0.710 133.3 -40.7 -86.0 95.7 22.2 5.1 11.4 54 54 A Q T 5S- 0 0 28 -2,-1.2 2,-0.2 89,-0.3 -1,-0.2 0.054 114.6 -59.7 76.3 -27.2 21.4 1.4 10.7 55 55 A G S S+ 0 0 0 -3,-0.2 3,-1.4 76,-0.2 4,-0.5 0.637 71.8 139.5 60.8 20.1 23.4 1.5 19.8 59 59 A S G > + 0 0 0 -4,-0.4 3,-1.4 1,-0.3 80,-0.4 0.877 65.5 56.3 -61.7 -38.2 25.8 1.1 16.8 60 60 A V G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -7,-0.2 5,-0.1 0.590 94.5 68.4 -71.7 -9.7 26.9 4.7 17.0 61 61 A L G < S+ 0 0 5 -3,-1.4 -1,-0.3 7,-0.2 2,-0.2 0.709 81.3 98.5 -78.5 -21.1 28.0 4.2 20.6 62 62 A L S X S- 0 0 0 -3,-1.4 3,-1.8 -4,-0.5 241,-0.2 -0.482 75.4-138.4 -71.2 134.5 30.7 1.9 19.4 63 63 A D T 3 S+ 0 0 98 239,-2.6 7,-0.2 1,-0.3 5,-0.2 0.846 104.5 60.3 -60.2 -32.9 34.2 3.4 19.1 64 64 A G T 3 S+ 0 0 44 238,-0.4 -1,-0.3 -5,-0.1 2,-0.2 0.591 90.6 93.4 -73.3 -8.4 34.6 1.5 15.8 65 65 A S S X S- 0 0 5 -3,-1.8 3,-1.9 -6,-0.2 5,-0.2 -0.597 85.2-105.5 -91.2 147.7 31.6 3.3 14.3 66 66 A A T 3 S+ 0 0 9 73,-3.0 73,-0.1 1,-0.3 -1,-0.1 -0.380 110.7 17.4 -63.0 145.6 31.7 6.4 12.2 67 67 A T T 3 S+ 0 0 5 1,-0.2 13,-0.4 -4,-0.1 -1,-0.3 0.535 102.6 135.7 63.1 10.6 30.4 9.4 14.2 68 68 A G S X S- 0 0 3 -3,-1.9 3,-1.7 -5,-0.2 12,-0.2 -0.018 75.7 -75.6 -74.4-173.7 31.1 7.3 17.3 69 69 A P T 3 S+ 0 0 48 0, 0.0 -6,-0.1 0, 0.0 -8,-0.1 0.700 130.2 48.5 -57.7 -28.4 32.8 8.4 20.6 70 70 A G T 3 S+ 0 0 36 -5,-0.2 2,-0.3 -7,-0.2 -7,-0.1 0.358 80.9 125.1 -96.9 5.6 36.3 8.4 19.2 71 71 A E < + 0 0 38 -3,-1.7 -5,-0.0 1,-0.2 9,-0.0 -0.507 16.3 151.0 -70.0 123.4 35.4 10.4 16.1 72 72 A Q + 0 0 176 -2,-0.3 -1,-0.2 7,-0.0 7,-0.1 0.405 63.9 63.3-128.4 -7.4 37.6 13.5 15.7 73 73 A Q S S+ 0 0 154 2,-0.1 -2,-0.1 0, 0.0 6,-0.1 0.720 77.8 99.5 -92.5 -25.5 37.6 13.9 11.9 74 74 A A S S- 0 0 20 4,-0.1 5,-0.1 1,-0.1 -8,-0.0 -0.237 80.6-102.0 -65.1 149.5 33.9 14.6 11.3 75 75 A P > - 0 0 61 0, 0.0 3,-3.0 0, 0.0 4,-0.4 -0.329 41.3 -96.7 -68.0 157.9 32.5 18.1 10.8 76 76 A P G > S+ 0 0 46 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 0.801 123.4 59.7 -42.4 -41.6 30.8 19.8 13.8 77 77 A N G 3 S+ 0 0 46 1,-0.3 -3,-0.0 107,-0.1 3,-0.0 0.456 109.9 42.9 -71.4 -2.3 27.3 18.9 12.4 78 78 A L G < S+ 0 0 38 -3,-3.0 2,-0.6 2,-0.1 -1,-0.3 0.290 92.3 94.3-124.9 5.9 28.3 15.2 12.6 79 79 A T < - 0 0 55 -3,-1.3 2,-0.1 -4,-0.4 -11,-0.1 -0.901 64.4-148.3-105.1 118.7 30.0 15.2 16.0 80 80 A L - 0 0 7 -2,-0.6 -2,-0.1 -13,-0.4 -38,-0.1 -0.400 35.6 -79.4 -81.7 162.1 27.8 14.2 19.0 81 81 A R >> - 0 0 71 1,-0.2 4,-1.4 -39,-0.1 3,-1.2 -0.426 30.8-144.4 -63.4 125.9 28.3 15.6 22.5 82 82 A P H 3> S+ 0 0 106 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.895 102.0 57.9 -57.9 -37.3 31.1 13.8 24.3 83 83 A S H 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.745 100.1 58.0 -64.2 -26.2 29.0 14.1 27.5 84 84 A A H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.929 107.7 44.9 -70.2 -45.9 26.2 12.2 25.9 85 85 A F H X S+ 0 0 17 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.932 115.4 49.5 -61.6 -45.4 28.3 9.1 25.2 86 86 A K H X S+ 0 0 114 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.936 108.0 52.7 -58.7 -50.3 29.7 9.3 28.7 87 87 A A H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.898 107.4 51.6 -54.4 -46.8 26.3 9.6 30.3 88 88 A V H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.917 110.9 48.3 -58.5 -43.8 25.0 6.5 28.5 89 89 A N H X S+ 0 0 31 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.920 111.5 49.8 -63.4 -43.5 28.1 4.5 29.7 90 90 A D H X S+ 0 0 50 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.883 111.2 49.2 -61.8 -40.9 27.6 5.8 33.3 91 91 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.935 109.3 52.6 -64.2 -44.5 23.9 4.8 33.1 92 92 A R H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.905 110.3 48.3 -57.9 -43.4 24.9 1.3 31.8 93 93 A D H X S+ 0 0 84 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.940 111.4 48.9 -62.5 -48.9 27.3 0.9 34.8 94 94 A R H X S+ 0 0 62 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.883 111.2 51.3 -59.9 -38.2 24.7 2.0 37.3 95 95 A L H X S+ 0 0 4 -4,-2.7 4,-3.5 2,-0.2 6,-0.3 0.889 105.7 53.5 -68.0 -39.4 22.2 -0.4 35.8 96 96 A E H X>S+ 0 0 75 -4,-2.2 5,-2.2 2,-0.2 4,-0.5 0.908 111.7 47.7 -61.1 -38.9 24.5 -3.4 35.9 97 97 A R H ><5S+ 0 0 182 -4,-1.9 3,-0.6 3,-0.2 -2,-0.2 0.954 116.7 42.2 -65.2 -49.7 25.0 -2.6 39.6 98 98 A E H 3<5S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.923 118.5 42.8 -63.9 -49.8 21.2 -2.3 40.2 99 99 A a H 3<5S- 0 0 7 -4,-3.5 -1,-0.2 2,-0.2 -2,-0.2 0.457 107.3-124.1 -77.5 -2.2 20.1 -5.3 38.1 100 100 A R T <<5S+ 0 0 218 -3,-0.6 2,-0.2 -4,-0.5 -3,-0.2 0.890 85.0 27.7 59.0 40.4 23.0 -7.4 39.5 101 101 A G S - 0 0 0 -2,-0.4 4,-1.9 27,-0.3 192,-0.1 -0.372 16.2-122.1 -76.2 157.0 21.0 -3.1 26.6 106 106 A c H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -48,-0.1 0.833 113.3 61.8 -66.7 -30.0 22.6 0.2 25.6 107 107 A S H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.902 105.8 44.3 -61.9 -44.3 19.9 0.5 22.9 108 108 A D H > S+ 0 0 0 24,-0.3 4,-2.9 2,-0.2 5,-0.2 0.892 108.8 57.8 -68.1 -39.1 17.2 0.6 25.5 109 109 A I H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.920 104.4 52.3 -57.3 -42.5 19.2 3.0 27.6 110 110 A L H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.912 111.0 47.0 -59.7 -43.9 19.3 5.4 24.7 111 111 A A H X S+ 0 0 3 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.928 116.7 42.8 -64.5 -45.3 15.5 5.2 24.4 112 112 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.940 112.7 51.0 -67.3 -49.4 14.9 5.7 28.1 113 113 A A H X S+ 0 0 1 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.867 109.9 51.7 -57.6 -37.9 17.4 8.5 28.6 114 114 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.929 110.6 47.8 -64.8 -45.3 15.9 10.3 25.6 115 115 A R H X S+ 0 0 10 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.941 114.0 47.0 -60.5 -47.5 12.4 10.0 27.2 116 116 A D H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.842 107.9 56.0 -64.4 -34.8 13.7 11.2 30.5 117 117 A S H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.896 109.8 46.8 -63.9 -39.9 15.6 14.1 28.9 118 118 A V H <>S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 3,-0.3 0.958 114.2 46.9 -65.2 -50.3 12.3 15.2 27.4 119 119 A V H ><5S+ 0 0 33 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.923 111.7 50.1 -57.4 -48.9 10.5 14.8 30.7 120 120 A V H 3<5S+ 0 0 51 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 106.6 57.0 -62.5 -28.4 13.2 16.7 32.6 121 121 A S T 3<5S- 0 0 10 -4,-1.4 111,-2.9 -3,-0.3 -1,-0.3 0.335 131.0 -92.7 -85.9 8.1 13.0 19.5 30.1 122 122 A G T < 5S+ 0 0 49 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.534 85.5 130.0 94.2 9.3 9.3 20.0 30.8 123 123 A G < - 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0 0 53 0, 0.0 -4,-0.3 0, 0.0 -5,-0.1 -0.194 34.4-105.1 -59.9 145.8 20.3 34.5 2.0 198 198 A D > - 0 0 35 -6,-2.8 3,-2.1 1,-0.1 -6,-0.1 -0.621 25.1-141.2 -73.3 119.5 17.5 32.0 2.1 199 199 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.617 97.3 66.7 -58.9 -14.4 14.3 34.0 1.2 200 200 A T T 3 S+ 0 0 39 2,-0.1 2,-0.4 3,-0.0 -2,-0.0 0.662 79.2 94.0 -81.8 -16.7 12.3 32.0 3.8 201 201 A I S < S- 0 0 8 -3,-2.1 43,-0.2 -9,-0.1 42,-0.1 -0.632 86.9-116.4 -76.6 127.9 14.3 33.5 6.6 202 202 A S > - 0 0 10 41,-2.1 4,-2.7 -2,-0.4 3,-0.3 -0.399 23.4-115.9 -64.3 142.8 12.5 36.5 8.1 203 203 A P H > S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.856 115.3 49.2 -45.0 -45.9 14.5 39.8 7.7 204 204 A T H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.910 111.7 47.4 -63.3 -46.0 14.9 40.2 11.4 205 205 A F H > S+ 0 0 10 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.895 107.4 58.0 -64.1 -40.1 16.1 36.6 12.0 206 206 A L H X S+ 0 0 37 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.921 103.9 50.9 -56.0 -47.7 18.5 37.0 9.1 207 207 A S H X S+ 0 0 77 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.911 111.7 49.0 -56.2 -44.3 20.2 40.0 10.8 208 208 A R H X S+ 0 0 112 -4,-1.6 4,-1.8 1,-0.2 3,-0.4 0.937 112.3 46.8 -61.6 -48.2 20.5 37.9 14.0 209 209 A L H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.872 108.5 54.8 -64.0 -39.1 22.0 34.9 12.1 210 210 A K H < S+ 0 0 67 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 106.9 52.8 -65.1 -27.9 24.5 37.0 10.2 211 211 A R H < S+ 0 0 195 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.910 112.6 43.5 -71.0 -44.9 25.7 38.4 13.6 212 212 A T H < S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.903 128.9 27.7 -66.7 -44.0 26.2 34.8 14.9 213 213 A d < + 0 0 0 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.752 69.3 175.2-124.0 82.7 27.9 33.6 11.7 214 214 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.734 71.3 3.4 -57.2 -30.0 29.5 36.7 10.0 215 215 A A S > S- 0 0 50 -21,-0.0 3,-1.2 0, 0.0 -21,-0.0 -0.960 94.1 -75.6-152.8 165.7 31.1 34.6 7.3 216 216 A K T 3 S+ 0 0 98 -2,-0.3 -29,-0.1 1,-0.2 -30,-0.0 -0.407 115.8 36.0 -64.9 140.1 31.2 31.0 6.0 217 217 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.2 -2,-0.0 2,-0.2 0.534 78.1 158.9 93.1 8.4 33.4 28.9 8.3 218 218 A T < - 0 0 26 -3,-1.2 2,-1.2 1,-0.1 -31,-0.3 -0.459 37.0-142.5 -69.2 129.2 32.4 30.6 11.5 219 219 A D + 0 0 137 -2,-0.2 2,-0.3 -33,-0.1 -1,-0.1 -0.757 60.1 103.7 -95.0 88.7 33.1 28.5 14.6 220 220 A R - 0 0 130 -2,-1.2 -34,-2.8 2,-0.0 2,-0.3 -0.971 53.9-140.3-160.6 156.6 30.2 29.3 16.8 221 221 A R E -D 185 0D 136 -2,-0.3 2,-0.3 -36,-0.3 -36,-0.2 -0.855 13.1-172.6-122.8 160.2 26.9 27.8 17.9 222 222 A T E -D 184 0D 17 -38,-2.6 -38,-2.5 -2,-0.3 2,-0.2 -0.892 34.6 -83.4-143.0 169.7 23.4 29.1 18.4 223 223 A V E -D 183 0D 32 -2,-0.3 -40,-0.2 -40,-0.2 3,-0.2 -0.489 20.9-143.6 -79.9 148.5 20.1 27.8 19.8 224 224 A L S S+ 0 0 13 -42,-2.0 2,-0.6 1,-0.3 22,-0.4 0.830 96.6 45.3 -77.3 -34.0 17.7 25.8 17.6 225 225 A D - 0 0 0 -43,-0.5 -1,-0.3 4,-0.2 -43,-0.1 -0.889 68.4-169.2-115.2 101.4 14.7 27.3 19.3 226 226 A V S S+ 0 0 39 -2,-0.6 -1,-0.1 18,-0.4 10,-0.1 0.785 84.3 50.5 -60.2 -29.5 15.1 31.1 19.6 227 227 A R S S+ 0 0 92 1,-0.2 -1,-0.2 8,-0.1 9,-0.0 0.967 130.2 6.4 -76.4 -57.8 12.1 31.4 22.0 228 228 A T > - 0 0 33 1,-0.1 3,-0.9 3,-0.1 -1,-0.2 -0.696 68.7-179.6-130.4 81.4 12.7 28.8 24.6 229 229 A P T 3 S+ 0 0 38 0, 0.0 -47,-0.9 0, 0.0 -5,-0.2 0.807 83.0 25.7 -46.9 -42.4 16.2 27.3 24.0 230 230 A N T 3 S+ 0 0 84 -49,-0.2 2,-0.5 -7,-0.1 -49,-0.1 0.352 101.0 91.7-111.3 4.9 16.1 24.8 27.0 231 231 A V S < S- 0 0 70 -3,-0.9 2,-0.9 -51,-0.3 -109,-0.2 -0.888 70.6-133.1-105.3 129.1 12.4 24.2 27.5 232 232 A F + 0 0 2 -111,-2.9 2,-0.3 -2,-0.5 -51,-0.1 -0.712 60.4 112.4 -80.4 111.0 10.7 21.3 25.8 233 233 A D S > S- 0 0 10 -2,-0.9 3,-0.7 -56,-0.2 -5,-0.1 -0.911 81.4 -81.5-161.4-174.6 7.5 22.8 24.4 234 234 A N T >> S+ 0 0 9 -2,-0.3 3,-1.6 1,-0.2 4,-1.3 0.409 90.3 106.6 -85.6 4.9 5.8 23.7 21.1 235 235 A K H 3> + 0 0 69 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.762 69.4 68.8 -54.4 -24.8 7.7 27.0 20.7 236 236 A Y H <> S+ 0 0 1 -3,-0.7 4,-1.8 1,-0.2 -1,-0.3 0.894 99.7 47.0 -61.0 -41.0 9.6 25.4 17.9 237 237 A Y H <> S+ 0 0 0 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.871 108.8 54.1 -70.2 -35.1 6.5 25.3 15.8 238 238 A I H X S+ 0 0 42 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.873 105.6 54.8 -65.9 -34.1 5.8 29.0 16.6 239 239 A D H <>S+ 0 0 1 -4,-2.1 5,-2.9 1,-0.2 6,-0.3 0.950 107.9 49.2 -61.7 -47.6 9.3 29.7 15.4 240 240 A L H ><5S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 5,-0.2 0.886 107.7 52.8 -58.3 -44.5 8.5 28.0 12.1 241 241 A V H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.850 110.0 49.9 -61.2 -33.3 5.3 30.0 11.7 242 242 A N T 3<5S- 0 0 73 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.238 119.9-111.6 -90.3 14.2 7.3 33.2 12.2 243 243 A R T < 5S+ 0 0 102 -3,-1.8 -41,-2.1 1,-0.1 -3,-0.2 0.875 84.7 122.4 56.7 40.4 9.9 32.1 9.6 244 244 A E < + 0 0 34 -5,-2.9 -18,-0.4 -43,-0.2 2,-0.3 -0.132 25.7 133.4-122.4 33.5 12.5 31.6 12.3 245 245 A G - 0 0 2 -6,-0.3 -20,-0.1 -5,-0.2 -21,-0.0 -0.692 49.3-144.2 -83.0 141.2 13.3 27.9 11.8 246 246 A L S S+ 0 0 1 -22,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.919 74.7 44.2 -74.3 -49.6 17.1 27.4 11.8 247 247 A F S >> S- 0 0 20 1,-0.1 4,-2.5 -23,-0.1 3,-0.6 -0.580 79.7-121.4 -96.2 164.7 17.6 24.6 9.2 248 248 A V H 3> S+ 0 0 31 -97,-1.1 4,-2.8 1,-0.3 5,-0.2 0.920 119.4 58.1 -65.9 -39.4 16.0 24.2 5.8 249 249 A S H 34 S+ 0 0 15 -98,-2.1 -1,-0.3 2,-0.2 -97,-0.1 0.701 111.1 43.5 -62.7 -20.3 14.7 20.9 7.2 250 250 A D H X4 S+ 0 0 1 -3,-0.6 3,-1.7 -99,-0.3 4,-0.4 0.930 117.8 38.6 -86.4 -64.4 13.0 23.0 9.9 251 251 A Q H >X S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.3 4,-1.5 0.821 106.0 65.1 -58.9 -36.6 11.5 25.9 8.0 252 252 A D H 3X S+ 0 0 35 -4,-2.8 4,-3.2 1,-0.3 -1,-0.3 0.705 88.1 71.8 -63.3 -16.7 10.5 23.9 4.9 253 253 A L H <4 S+ 0 0 0 -3,-1.7 10,-0.3 -5,-0.2 -1,-0.3 0.844 105.2 38.4 -64.8 -33.7 8.0 22.1 7.3 254 254 A F H <4 S+ 0 0 23 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.787 116.7 52.2 -85.0 -30.9 6.0 25.3 7.3 255 255 A T H < S+ 0 0 71 -4,-1.5 2,-0.2 4,-0.1 -2,-0.2 0.920 92.6 83.2 -70.5 -45.6 6.7 26.0 3.6 256 256 A N S X S- 0 0 33 -4,-3.2 4,-2.7 1,-0.1 3,-0.3 -0.426 74.9-141.1 -67.3 129.4 5.5 22.5 2.4 257 257 A A T 4 S+ 0 0 81 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.0 0.818 99.0 55.2 -57.9 -35.3 1.8 22.2 1.9 258 258 A I T 4 S+ 0 0 104 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.895 118.7 30.1 -68.1 -42.5 1.8 18.7 3.2 259 259 A T T >> S+ 0 0 0 -3,-0.3 4,-2.1 -7,-0.2 3,-0.8 0.736 99.7 83.8 -90.6 -24.6 3.4 19.5 6.6 260 260 A R H 3X S+ 0 0 105 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.874 87.7 53.0 -46.8 -50.5 2.2 23.0 7.0 261 261 A P H 3> S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.862 110.0 48.7 -56.9 -37.7 -1.2 22.1 8.6 262 262 A I H <> S+ 0 0 23 -3,-0.8 4,-2.5 -4,-0.3 5,-0.2 0.900 110.0 51.2 -70.2 -39.6 0.5 19.9 11.2 263 263 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 -10,-0.3 5,-0.2 0.962 111.8 47.2 -60.4 -49.9 2.9 22.7 12.1 264 264 A E H X S+ 0 0 64 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.860 110.4 53.5 -60.2 -36.6 0.0 25.1 12.5 265 265 A R H X S+ 0 0 108 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.956 112.3 42.5 -64.5 -48.9 -1.8 22.6 14.6 266 266 A F H < S+ 0 0 0 -4,-2.5 7,-0.2 1,-0.2 -2,-0.2 0.818 110.1 57.5 -67.9 -31.5 1.1 22.1 17.0 267 267 A A H < S+ 0 0 18 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.880 111.7 43.4 -65.9 -35.5 1.8 25.8 17.1 268 268 A Q H < S+ 0 0 163 -4,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.780 123.5 32.0 -80.8 -30.5 -1.8 26.3 18.3 269 269 A S X - 0 0 34 -4,-1.8 4,-1.5 1,-0.1 -1,-0.2 -0.908 51.3-174.0-136.8 112.9 -1.9 23.5 20.8 270 270 A Q H > S+ 0 0 67 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.866 92.6 59.0 -67.1 -34.4 1.0 22.2 22.8 271 271 A Q H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 102.4 52.1 -61.7 -41.4 -1.2 19.4 24.1 272 272 A D H > S+ 0 0 47 2,-0.2 4,-1.5 -7,-0.2 -1,-0.2 0.897 113.5 45.6 -61.0 -39.8 -1.8 18.2 20.6 273 273 A F H X S+ 0 0 0 -4,-1.5 4,-2.4 -7,-0.2 -2,-0.2 0.964 112.6 48.6 -67.2 -52.5 2.0 18.2 20.1 274 274 A F H X S+ 0 0 23 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.879 111.4 49.6 -56.4 -44.3 2.8 16.4 23.4 275 275 A E H X S+ 0 0 100 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.881 115.4 43.1 -64.8 -38.8 0.3 13.7 22.9 276 276 A Q H X S+ 0 0 47 -4,-1.5 4,-2.6 -5,-0.2 3,-0.3 0.787 103.5 68.0 -77.8 -27.5 1.5 13.0 19.4 277 277 A F H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.925 95.5 52.7 -58.9 -49.5 5.2 13.2 20.4 278 278 A G H X S+ 0 0 1 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.829 113.8 45.6 -56.3 -33.0 5.1 10.0 22.5 279 279 A V H X S+ 0 0 23 -4,-0.6 4,-1.8 -3,-0.3 -2,-0.2 0.949 116.7 40.8 -75.5 -53.2 3.6 8.1 19.6 280 280 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.892 116.8 47.4 -65.5 -41.7 5.9 9.4 16.8 281 281 A I H X S+ 0 0 10 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.819 109.7 57.1 -69.7 -27.4 9.1 9.3 18.9 282 282 A G H < S+ 0 0 6 -4,-0.7 -2,-0.2 -5,-0.5 -1,-0.2 0.895 108.2 45.6 -67.7 -39.7 8.0 5.8 19.9 283 283 A K H >< S+ 0 0 54 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.929 112.8 49.8 -68.9 -44.6 7.9 4.8 16.2 284 284 A M H >< S+ 0 0 3 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.920 105.6 58.5 -59.2 -43.1 11.2 6.4 15.5 285 285 A G T 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.376 104.4 51.7 -70.0 4.2 12.7 4.5 18.5 286 286 A Q T X S+ 0 0 17 -3,-1.7 3,-0.8 -5,-0.1 -1,-0.3 0.181 74.7 134.2-124.1 14.1 11.8 1.2 17.0 287 287 A M T < S- 0 0 9 -3,-1.7 -231,-2.5 1,-0.2 -121,-0.1 -0.502 85.6 -21.0 -69.8 130.0 13.3 1.5 13.5 288 288 A R T 3 S+ 0 0 100 -2,-0.2 -1,-0.2 -233,-0.2 2,-0.1 0.803 89.4 179.9 36.7 55.1 15.2 -1.6 12.5 289 289 A V < - 0 0 20 -3,-0.8 2,-0.5 -234,-0.1 -232,-0.1 -0.427 28.5-122.2 -82.1 155.7 15.8 -2.9 16.0 290 290 A R E -B 133 0B 58 -157,-0.6 -157,-2.3 -234,-0.4 2,-0.4 -0.874 30.6-161.7 -98.5 128.2 17.6 -6.1 16.9 291 291 A T E > -B 132 0B 20 -2,-0.5 3,-2.9 -159,-0.2 2,-0.2 -0.898 45.2 -48.4-117.5 142.8 15.5 -8.5 18.9 292 292 A S G > S+ 0 0 64 -161,-0.5 3,-0.9 -2,-0.4 -2,-0.0 -0.121 135.0 20.8 41.9 -95.8 16.5 -11.5 21.1 293 293 A D G 3 S+ 0 0 158 1,-0.2 -1,-0.3 -2,-0.2 -3,-0.0 0.607 111.0 78.5 -74.9 -13.7 19.0 -13.5 18.9 294 294 A Q G < S- 0 0 110 -3,-2.9 -1,-0.2 -159,-0.0 2,-0.2 0.579 105.8 -5.7 -74.6 -11.2 19.8 -10.5 16.7 295 295 A G < - 0 0 18 -3,-0.9 2,-0.3 -160,-0.1 -160,-0.2 -0.737 68.6-109.2-155.1-155.0 22.2 -8.7 19.1 296 296 A E B -C 134 0C 27 -162,-2.1 -162,-3.4 -2,-0.2 2,-0.7 -0.840 25.4-107.1-144.5 176.9 23.7 -8.7 22.5 297 297 A V - 0 0 28 -2,-0.3 -192,-0.1 -164,-0.2 -195,-0.1 -0.946 43.5-134.5-113.4 103.2 23.7 -6.8 25.8 298 298 A R - 0 0 0 -2,-0.7 3,-0.2 1,-0.1 6,-0.1 -0.295 14.1-155.3 -61.6 141.4 27.0 -4.9 26.0 299 299 A R S S+ 0 0 140 1,-0.4 2,-0.3 4,-0.2 -1,-0.1 0.466 97.1 21.3 -89.6 -9.1 29.0 -4.9 29.2 300 300 A N S > S- 0 0 71 3,-0.4 3,-1.4 1,-0.0 -1,-0.4 -0.835 76.8-142.6-158.6 119.2 30.4 -1.6 27.9 301 301 A c T 3 S+ 0 0 0 -2,-0.3 -240,-0.1 1,-0.3 -3,-0.1 0.723 96.8 61.4 -60.1 -24.2 28.5 0.5 25.3 302 302 A S T 3 S+ 0 0 27 -240,-0.2 -239,-2.6 -239,-0.1 -238,-0.4 0.674 108.7 38.4 -77.7 -19.3 31.7 1.6 23.5 303 303 A V S < S- 0 0 73 -3,-1.4 -3,-0.4 -241,-0.2 -4,-0.2 -0.942 81.4-110.2-134.9 157.2 32.7 -2.0 22.5 304 304 A R - 0 0 96 -2,-0.3 -168,-0.1 1,-0.1 -2,-0.0 -0.477 56.2 -87.3 -77.4 150.4 31.3 -5.2 21.4 305 305 A N - 0 0 21 -2,-0.1 -1,-0.1 1,-0.1 -7,-0.0 -0.466 52.0-123.1 -61.1 122.3 31.5 -8.0 24.0 306 306 A P + 0 0 90 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.275 63.3 80.3 -65.9 158.5 34.9 -9.6 23.5 307 307 A G S S- 0 0 47 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 -0.346 84.8 -88.3 123.6 155.4 35.2 -13.3 22.7 308 308 A P 0 0 152 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.634 360.0 360.0 -70.0 -17.8 34.8 -15.9 19.9 309 309 A G 0 0 129 -3,-0.1 -2,-0.1 0, 0.0 -4,-0.0 0.268 360.0 360.0-175.9 360.0 31.1 -16.2 20.5