==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-APR-09 3H7U . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR S.A.WHITE,P.J.SIMPSON,J.P.RIDE . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 1 0 1 0 1 0 3 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 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 PARALLEL BRIDGES PER LADDER . 1 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 1 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 4 A A 0 0 84 0, 0.0 268,-0.1 0, 0.0 243,-0.0 0.000 360.0 360.0 360.0 -39.0 -7.3 -11.8 14.2 2 5 A I + 0 0 53 2,-0.1 3,-0.1 1,-0.1 264,-0.0 0.953 360.0 153.8 62.3 57.7 -3.7 -10.6 13.6 3 6 A T + 0 0 69 1,-0.1 12,-1.9 12,-0.1 13,-0.4 0.578 62.4 6.8 -91.2 -11.8 -2.3 -11.7 17.0 4 7 A F E -A 14 0A 105 10,-0.3 2,-0.3 11,-0.2 -1,-0.1 -0.983 57.3-140.9-160.1 164.7 1.3 -12.1 15.8 5 8 A F E -A 13 0A 37 8,-2.2 8,-3.1 -2,-0.3 2,-0.4 -0.985 25.7-123.1-128.7 143.9 3.8 -11.6 12.9 6 9 A K E -A 12 0A 160 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.729 24.9-144.4 -87.5 130.1 6.5 -14.0 11.8 7 10 A L > - 0 0 6 4,-2.9 3,-2.4 -2,-0.4 191,-0.1 -0.474 29.1-104.0 -86.1 163.6 10.1 -12.5 11.8 8 11 A N T 3 S+ 0 0 65 189,-0.4 -1,-0.1 166,-0.3 190,-0.1 0.661 122.2 60.6 -64.1 -12.4 12.7 -13.4 9.3 9 12 A T T 3 S- 0 0 53 2,-0.1 -1,-0.3 165,-0.0 3,-0.1 0.525 121.1-108.6 -83.0 -9.4 14.4 -15.6 12.0 10 13 A G S < S+ 0 0 42 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.220 75.4 136.7 96.6 -14.3 11.2 -17.7 12.2 11 14 A A - 0 0 39 139,-0.1 -4,-2.9 -5,-0.1 2,-0.5 -0.378 57.0-121.3 -69.9 144.8 10.2 -16.3 15.6 12 15 A K E -A 6 0A 143 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.759 23.6-159.8 -85.9 126.2 6.6 -15.3 16.3 13 16 A F E -A 5 0A 1 -8,-3.1 -8,-2.2 -2,-0.5 29,-0.1 -0.918 21.2-124.4-109.2 110.1 6.4 -11.7 17.3 14 17 A P E -A 4 0A 28 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.321 18.0-134.9 -59.4 138.0 3.2 -10.8 19.2 15 18 A S S S+ 0 0 1 -12,-1.9 235,-2.5 234,-0.1 2,-0.5 0.663 87.0 51.8 -74.9 -20.4 1.4 -8.1 17.4 16 19 A V B +b 250 0B 3 -13,-0.4 25,-0.5 233,-0.2 2,-0.3 -0.987 68.6 179.9-119.5 121.8 0.5 -5.9 20.4 17 20 A G - 0 0 0 233,-2.4 2,-0.6 -2,-0.5 26,-0.2 -0.903 31.1-114.5-117.7 149.2 3.3 -4.9 22.8 18 21 A L E -c 43 0B 2 24,-2.5 26,-2.8 -2,-0.3 235,-0.2 -0.729 30.8-141.5 -82.1 120.5 3.2 -2.8 26.0 19 22 A G E -cd 44 253B 6 233,-1.8 235,-0.6 -2,-0.6 26,-0.1 -0.523 16.8-173.4 -77.9 150.1 5.3 0.4 25.6 20 23 A T > + 0 0 1 24,-0.6 3,-1.5 -2,-0.2 2,-0.2 0.295 37.3 125.0-131.6 8.4 7.3 1.6 28.6 21 24 A W T 3 S+ 0 0 86 1,-0.3 3,-0.1 23,-0.1 28,-0.1 -0.538 88.1 10.0 -67.7 134.7 8.7 5.0 27.6 22 25 A Q T 3 S+ 0 0 93 1,-0.3 2,-0.7 -2,-0.2 -1,-0.3 0.696 91.1 133.1 65.3 21.1 7.7 7.5 30.3 23 26 A A < - 0 0 5 -3,-1.5 -1,-0.3 26,-0.1 5,-0.1 -0.921 58.5-128.4 -94.6 112.4 6.4 4.8 32.6 24 27 A S >> - 0 0 50 -2,-0.7 4,-2.5 1,-0.1 3,-1.1 -0.185 15.1-110.9 -63.5 157.0 8.0 5.8 35.9 25 28 A P H 3> S+ 0 0 68 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.869 120.0 51.9 -51.4 -35.7 10.0 3.4 38.0 26 29 A G H 34 S+ 0 0 66 1,-0.2 4,-0.2 2,-0.1 -2,-0.0 0.710 119.6 31.2 -75.0 -23.3 7.1 3.5 40.5 27 30 A L H <> S+ 0 0 92 -3,-1.1 4,-1.5 2,-0.1 -1,-0.2 0.637 100.0 76.2-106.6 -22.2 4.3 2.7 38.0 28 31 A V H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.859 89.8 57.4 -69.2 -33.5 5.9 0.5 35.4 29 32 A G H X S+ 0 0 9 -4,-0.6 4,-2.5 -5,-0.2 -1,-0.2 0.948 109.0 43.6 -61.0 -49.9 6.0 -2.7 37.5 30 33 A D H > S+ 0 0 129 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.839 113.2 54.5 -66.3 -30.8 2.3 -2.8 38.2 31 34 A A H X S+ 0 0 4 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.938 109.6 45.3 -66.0 -48.7 1.6 -1.9 34.5 32 35 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.920 113.8 50.2 -60.7 -44.4 3.7 -4.8 33.2 33 36 A A H X S+ 0 0 15 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.937 112.8 46.3 -59.7 -46.0 2.1 -7.2 35.8 34 37 A A H X S+ 0 0 20 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.891 112.8 50.6 -64.3 -41.7 -1.4 -6.1 34.8 35 38 A A H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-1.4 0.942 111.6 45.8 -61.4 -49.5 -0.5 -6.4 31.1 36 39 A V H <5S+ 0 0 1 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.913 112.3 52.0 -63.8 -38.6 0.8 -9.9 31.4 37 40 A K H <5S+ 0 0 145 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.892 108.9 50.7 -62.6 -38.6 -2.2 -10.9 33.5 38 41 A I H <5S- 0 0 52 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.751 132.4 -92.2 -67.9 -27.8 -4.6 -9.5 30.8 39 42 A G T <5S+ 0 0 20 -4,-1.4 -3,-0.2 -3,-0.3 -2,-0.1 0.363 72.0 148.4 128.0 -1.1 -2.7 -11.5 28.1 40 43 A Y < + 0 0 1 -5,-2.5 -1,-0.3 -6,-0.1 -23,-0.1 -0.390 18.1 179.6 -61.0 141.7 0.1 -9.3 26.7 41 44 A R + 0 0 79 -25,-0.5 33,-2.3 1,-0.1 2,-0.3 0.058 60.3 67.0-129.5 23.2 3.1 -11.4 25.7 42 45 A H E - e 0 74B 1 -26,-0.2 -24,-2.5 31,-0.2 2,-0.4 -0.977 54.5-174.8-151.0 124.0 5.4 -8.6 24.4 43 46 A I E -ce 18 75B 0 31,-2.1 33,-2.3 -2,-0.3 2,-0.6 -0.997 15.9-147.1-124.5 127.8 7.0 -5.8 26.3 44 47 A D E +ce 19 76B 7 -26,-2.8 -24,-0.6 -2,-0.4 2,-0.2 -0.883 30.8 168.0 -98.9 117.0 8.9 -3.0 24.6 45 48 A C - 0 0 0 31,-2.3 2,-0.3 -2,-0.6 3,-0.1 -0.686 19.1-171.4-120.8 169.4 11.8 -1.8 26.7 46 49 A A > - 0 0 0 -2,-0.2 3,-1.6 31,-0.2 5,-0.5 -0.902 30.7-130.2-161.2 144.3 14.9 0.4 26.5 47 50 A Q G > S+ 0 0 52 31,-1.0 3,-1.8 -2,-0.3 5,-0.3 0.900 109.2 58.9 -56.1 -41.5 17.9 1.1 28.7 48 51 A I G 3 S+ 0 0 71 1,-0.3 -1,-0.3 30,-0.3 31,-0.0 0.647 86.6 76.4 -68.8 -13.0 17.4 4.8 28.2 49 52 A Y G < S- 0 0 44 -3,-1.6 -1,-0.3 1,-0.1 -27,-0.2 0.630 96.8-135.5 -74.3 -10.9 13.8 4.7 29.6 50 53 A G S < S+ 0 0 53 -3,-1.8 -2,-0.1 -4,-0.3 -3,-0.1 0.685 81.9 84.5 73.8 20.6 15.3 4.4 33.1 51 54 A N > + 0 0 0 -5,-0.5 4,-1.9 -4,-0.1 3,-0.2 0.231 42.4 110.8-141.4 12.1 13.1 1.7 34.3 52 55 A E H > S+ 0 0 4 -5,-0.3 4,-2.8 1,-0.2 5,-0.2 0.864 79.2 56.6 -66.0 -33.4 14.5 -1.7 33.2 53 56 A K H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 108.1 47.4 -61.5 -41.2 15.4 -2.7 36.8 54 57 A E H > S+ 0 0 68 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.869 111.7 50.5 -71.1 -34.9 11.8 -2.3 37.9 55 58 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.943 109.7 51.7 -62.4 -46.1 10.5 -4.2 34.9 56 59 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 43,-0.3 -2,-0.2 0.866 104.8 55.2 -58.8 -40.4 13.0 -7.0 35.7 57 60 A A H X S+ 0 0 51 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.898 111.8 43.5 -63.0 -39.6 11.8 -7.3 39.3 58 61 A V H X S+ 0 0 26 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.897 110.5 54.6 -73.9 -37.8 8.2 -7.8 38.1 59 62 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.936 107.0 52.4 -59.0 -43.6 9.2 -10.3 35.4 60 63 A K H X S+ 0 0 97 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.926 111.5 46.5 -55.8 -47.6 11.1 -12.3 38.0 61 64 A K H X S+ 0 0 128 -4,-1.6 4,-2.8 2,-0.2 6,-0.2 0.907 110.3 52.2 -63.2 -43.3 7.9 -12.4 40.2 62 65 A L H <>S+ 0 0 5 -4,-2.8 5,-2.2 2,-0.2 6,-1.0 0.896 114.0 43.9 -61.7 -39.4 5.6 -13.3 37.2 63 66 A F H ><5S+ 0 0 50 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.946 115.3 47.5 -69.0 -48.3 7.9 -16.2 36.3 64 67 A E H 3<5S+ 0 0 119 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.893 112.2 49.9 -58.3 -42.3 8.3 -17.4 40.0 65 68 A D T 3<5S- 0 0 95 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.397 112.6-121.2 -81.8 1.5 4.5 -17.1 40.5 66 69 A R T < 5S+ 0 0 227 -3,-1.4 -3,-0.2 2,-0.2 3,-0.1 0.714 72.5 132.2 67.1 26.0 3.9 -19.2 37.4 67 70 A V S > - 0 0 131 -2,-0.3 3,-1.7 -3,-0.1 4,-0.5 -0.795 28.8-117.7-100.4 151.1 7.0 -18.8 31.4 70 73 A R G >4 S+ 0 0 36 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.878 112.8 59.3 -50.8 -43.6 10.0 -17.0 30.0 71 74 A E G 34 S+ 0 0 124 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.694 101.7 54.6 -65.7 -18.3 9.7 -18.8 26.7 72 75 A D G <4 S+ 0 0 94 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.530 96.3 79.5 -95.0 -2.8 6.2 -17.4 26.2 73 76 A L << - 0 0 3 -3,-1.7 2,-0.6 -4,-0.5 -31,-0.2 -0.817 65.8-149.1-104.5 145.7 7.2 -13.7 26.6 74 77 A F E -e 42 0B 8 -33,-2.3 -31,-2.1 -2,-0.3 2,-0.5 -0.955 17.7-171.9-112.7 112.1 8.7 -11.6 23.9 75 78 A I E -e 43 0B 0 -2,-0.6 31,-1.8 -33,-0.2 32,-1.6 -0.936 2.5-169.5-112.5 124.0 11.0 -8.9 25.4 76 79 A T E +ef 44 107B 0 -33,-2.3 -31,-2.3 -2,-0.5 2,-0.3 -0.895 9.1 171.1-106.0 137.3 12.6 -6.1 23.3 77 80 A S E - f 0 108B 0 30,-2.2 32,-1.9 -2,-0.4 2,-0.4 -0.847 19.6-133.5-133.2 179.9 15.3 -3.8 24.4 78 81 A K E - f 0 109B 1 -2,-0.3 -31,-1.0 30,-0.2 2,-0.6 -0.994 13.2-122.6-143.1 139.4 17.4 -1.2 22.6 79 82 A L E - f 0 110B 0 30,-3.0 32,-2.1 -2,-0.4 33,-0.4 -0.726 37.0-134.3 -81.0 116.1 21.1 -0.1 22.4 80 83 A W > - 0 0 21 -2,-0.6 3,-2.1 31,-0.1 36,-0.1 -0.289 21.7-105.2 -75.5 158.4 21.4 3.5 23.3 81 84 A C G > S+ 0 0 1 1,-0.3 35,-2.2 2,-0.2 3,-0.5 0.602 115.7 63.4 -60.0 -19.2 23.4 6.0 21.3 82 85 A T G 3 S+ 0 0 31 33,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.592 102.2 51.7 -76.0 -12.4 26.2 6.1 24.0 83 86 A D G < + 0 0 3 -3,-2.1 -1,-0.2 1,-0.2 9,-0.2 0.027 68.3 110.9-121.8 26.3 27.0 2.5 23.4 84 87 A H < + 0 0 2 -3,-0.5 55,-0.2 32,-0.2 -1,-0.2 0.691 48.1 103.6 -75.9 -22.1 27.5 2.1 19.6 85 88 A D S >> S- 0 0 72 -3,-0.2 4,-1.4 1,-0.1 3,-1.1 -0.448 83.0-122.0 -61.5 135.4 31.3 1.4 19.8 86 89 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.790 111.4 55.0 -51.9 -32.2 31.8 -2.4 19.3 87 90 A Q T 3> S+ 0 0 141 1,-0.2 4,-0.6 2,-0.1 -2,-0.1 0.891 110.9 45.6 -65.6 -36.2 33.5 -2.7 22.6 88 91 A D H <> S+ 0 0 29 -3,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.725 94.7 79.2 -80.9 -20.2 30.6 -1.1 24.4 89 92 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 5,-0.2 0.926 94.7 42.0 -61.7 -51.8 27.8 -3.1 22.7 90 93 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.873 114.1 53.2 -67.6 -31.9 28.0 -6.4 24.6 91 94 A E H X S+ 0 0 84 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.902 107.6 52.4 -61.6 -42.9 28.4 -4.6 27.9 92 95 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.932 111.6 44.8 -61.8 -44.4 25.3 -2.5 27.2 93 96 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.921 110.5 54.6 -66.9 -40.9 23.3 -5.6 26.5 94 97 A N H X S+ 0 0 73 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.880 107.3 50.2 -61.9 -35.1 24.6 -7.4 29.5 95 98 A R H X S+ 0 0 87 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.915 111.7 48.7 -65.1 -45.3 23.6 -4.4 31.8 96 99 A T H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.916 111.5 49.8 -59.0 -43.8 20.1 -4.6 30.2 97 100 A L H X>S+ 0 0 6 -4,-2.9 5,-2.3 2,-0.2 4,-0.8 0.910 111.3 48.6 -63.3 -42.5 20.0 -8.4 30.8 98 101 A K H ><5S+ 0 0 131 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.940 114.9 44.9 -61.1 -46.6 21.0 -8.0 34.4 99 102 A D H 3<5S+ 0 0 24 -4,-2.6 -43,-0.3 1,-0.2 -2,-0.2 0.909 116.7 44.0 -65.6 -43.1 18.4 -5.2 35.0 100 103 A L H 3<5S- 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.546 107.8-127.6 -76.9 -8.8 15.6 -7.2 33.2 101 104 A Q T <<5 + 0 0 102 -4,-0.8 2,-0.3 -3,-0.5 -3,-0.2 0.911 64.9 131.0 58.5 46.9 16.7 -10.4 35.1 102 105 A L < - 0 0 16 -5,-2.3 -1,-0.2 -6,-0.1 3,-0.1 -0.864 60.2-147.5-124.6 159.3 16.9 -12.2 31.8 103 106 A E S S+ 0 0 169 -2,-0.3 2,-0.3 1,-0.3 -6,-0.1 0.603 88.2 6.5 -97.3 -18.5 19.5 -14.5 30.0 104 107 A Y - 0 0 23 -7,-0.1 2,-0.3 45,-0.0 -1,-0.3 -0.967 66.5-130.9-153.0 156.1 18.5 -13.3 26.5 105 108 A V B -k 149 0C 0 43,-2.2 45,-2.7 -2,-0.3 46,-0.3 -0.867 15.9-138.2-102.3 151.8 16.3 -10.7 24.9 106 109 A D S S+ 0 0 17 -31,-1.8 2,-0.3 -2,-0.3 -30,-0.2 0.798 90.8 14.6 -75.4 -28.9 14.0 -11.7 22.1 107 110 A L E -f 76 0B 0 -32,-1.6 -30,-2.2 43,-0.2 2,-0.4 -0.977 62.7-170.1-148.0 132.4 14.8 -8.6 20.1 108 111 A Y E -fg 77 152B 2 43,-1.7 45,-2.3 -2,-0.3 2,-0.4 -0.997 16.5-164.9-125.6 126.2 17.7 -6.0 20.5 109 112 A L E -fg 78 153B 0 -32,-1.9 -30,-3.0 -2,-0.4 2,-0.6 -0.878 31.1-121.1-114.2 140.8 17.5 -2.8 18.4 110 113 A I E -fg 79 154B 0 43,-2.1 45,-1.2 -2,-0.4 -30,-0.1 -0.719 36.6-149.9 -67.9 116.2 19.9 -0.1 17.4 111 114 A H - 0 0 10 -32,-2.1 -1,-0.2 -2,-0.6 -31,-0.1 0.914 66.4 -5.7 -67.5 -48.3 17.7 2.6 19.1 112 115 A W S S- 0 0 16 -33,-0.4 2,-2.2 2,-0.2 -1,-0.2 -0.983 73.2-108.7-141.4 154.2 18.7 5.6 16.8 113 116 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.372 87.7 87.6 -81.4 63.1 21.2 5.9 13.9 114 117 A A - 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0 0 28 -3,-1.4 4,-2.5 -4,-0.4 5,-0.2 -0.308 57.9-137.7 -61.4 132.0 -9.0 13.0 14.3 222 225 A P H > S+ 0 0 101 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.863 101.1 49.3 -62.7 -37.0 -12.6 13.3 13.0 223 226 A I H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.954 112.9 48.0 -63.3 -47.9 -12.4 10.3 10.6 224 227 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 112.5 49.3 -58.4 -43.8 -10.9 8.1 13.3 225 228 A N H X S+ 0 0 59 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.859 107.3 53.7 -68.8 -34.4 -13.6 9.2 15.8 226 229 A M H X S+ 0 0 101 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.939 110.4 47.5 -63.7 -44.4 -16.5 8.6 13.3 227 230 A V H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.940 111.0 51.9 -60.4 -45.5 -15.2 5.1 12.8 228 231 A A H X>S+ 0 0 4 -4,-2.4 5,-2.2 1,-0.2 4,-1.1 0.927 111.6 46.4 -54.4 -46.2 -14.9 4.6 16.6 229 232 A E H <5S+ 0 0 149 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.921 112.8 49.2 -66.0 -43.3 -18.5 5.8 17.1 230 233 A K H <5S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.868 117.8 39.1 -65.0 -36.8 -19.9 3.6 14.4 231 234 A L H <5S- 0 0 45 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.499 107.8-120.7 -91.5 -8.9 -18.1 0.5 15.6 232 235 A G T <5S+ 0 0 62 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.887 71.5 122.9 69.7 41.0 -18.6 1.2 19.3 233 236 A K < - 0 0 58 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.865 66.0 -98.6-126.8 163.1 -14.9 1.2 20.1 234 237 A S > - 0 0 21 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.412 33.6-112.4 -77.6 157.3 -12.6 3.8 21.7 235 238 A P H > S+ 0 0 39 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.916 120.2 52.3 -52.9 -41.5 -10.4 6.0 19.5 236 239 A A H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 107.6 51.0 -62.6 -43.5 -7.4 4.2 20.9 237 240 A Q H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 110.8 48.9 -59.8 -41.5 -8.8 0.8 20.0 238 241 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.928 110.4 50.4 -64.6 -44.7 -9.5 2.1 16.4 239 242 A A H X S+ 0 0 1 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.908 114.6 44.8 -57.8 -41.7 -6.0 3.5 16.1 240 243 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.927 113.7 47.1 -71.6 -47.0 -4.5 0.1 17.2 241 244 A R H X S+ 0 0 16 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.889 109.5 56.5 -62.0 -37.6 -6.8 -2.1 15.1 242 245 A W H X S+ 0 0 1 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.936 106.5 50.0 -55.7 -48.2 -6.0 0.2 12.1 243 246 A G H <>S+ 0 0 1 -4,-1.8 5,-1.7 1,-0.2 4,-0.4 0.921 110.3 48.8 -59.3 -46.7 -2.3 -0.5 12.7 244 247 A L H ><5S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.922 110.6 50.6 -57.4 -47.0 -2.8 -4.2 12.8 245 248 A Q H 3<5S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.790 103.4 60.5 -67.2 -23.5 -4.9 -4.2 9.6 246 249 A M T 3<5S- 0 0 44 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.548 123.4-106.4 -75.0 -10.0 -2.1 -2.1 7.9 247 250 A G T < 5S+ 0 0 33 -3,-1.6 -47,-0.3 -4,-0.4 2,-0.3 0.741 81.4 105.8 93.0 27.4 0.2 -5.1 8.6 248 251 A H < - 0 0 2 -5,-1.7 -1,-0.3 -49,-0.1 -47,-0.2 -0.936 67.6-110.2-133.5 156.3 2.4 -3.9 11.5 249 252 A S E - j 0 201B 0 -49,-1.1 -47,-2.7 -2,-0.3 2,-0.3 -0.411 30.7-142.4 -74.8 162.5 2.7 -4.5 15.2 250 253 A V E -bj 16 202B 1 -235,-2.5 -233,-2.4 -49,-0.2 -47,-0.2 -0.976 10.0-159.2-132.9 144.9 1.7 -1.7 17.6 251 254 A L - 0 0 8 -49,-1.7 -47,-0.3 -2,-0.3 -233,-0.1 -0.409 17.7-176.1-122.8 51.5 3.4 -0.8 20.9 252 255 A P - 0 0 1 0, 0.0 -233,-1.8 0, 0.0 2,-0.4 -0.291 13.6-146.8 -59.0 131.0 0.7 1.1 23.0 253 256 A K B +d 19 0B 86 -235,-0.2 2,-0.3 -233,-0.0 -233,-0.1 -0.813 29.4 148.9 -97.4 135.0 2.0 2.5 26.3 254 257 A S - 0 0 9 -235,-0.6 -231,-0.1 -2,-0.4 3,-0.0 -0.947 34.6-168.0-156.2 146.6 -0.1 2.8 29.4 255 258 A T S S+ 0 0 43 -2,-0.3 2,-0.5 -224,-0.0 -1,-0.0 0.228 70.1 96.4-105.9 10.2 0.4 2.7 33.1 256 259 A N > - 0 0 59 1,-0.1 4,-2.8 -225,-0.0 5,-0.2 -0.880 68.8-144.6-107.1 124.9 -3.4 2.5 33.7 257 260 A E H > S+ 0 0 144 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.880 98.3 49.7 -53.5 -44.3 -5.0 -0.8 34.2 258 261 A G H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.934 113.9 45.4 -63.9 -47.1 -8.2 0.0 32.4 259 262 A R H > S+ 0 0 133 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.893 108.0 56.7 -65.0 -38.2 -6.4 1.4 29.4 260 263 A I H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.936 112.6 43.4 -56.1 -44.2 -4.0 -1.5 29.2 261 264 A K H >X S+ 0 0 101 -4,-2.1 3,-0.8 -5,-0.2 4,-0.8 0.944 112.9 50.7 -64.2 -49.8 -7.0 -3.8 29.0 262 265 A E H >< S+ 0 0 66 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.910 108.1 53.7 -55.3 -44.4 -8.8 -1.6 26.5 263 266 A N H 3< S+ 0 0 5 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.719 106.2 52.5 -69.3 -23.2 -5.8 -1.5 24.2 264 267 A F H << S+ 0 0 40 -4,-0.9 2,-1.7 -3,-0.8 3,-0.3 0.594 86.4 85.1 -86.3 -11.3 -5.4 -5.3 24.1 265 268 A N << + 0 0 58 -3,-1.1 -1,-0.2 -4,-0.8 -4,-0.0 -0.451 55.8 107.9 -95.3 69.1 -9.0 -5.9 23.0 266 269 A V + 0 0 0 -2,-1.7 -1,-0.2 -3,-0.1 3,-0.1 0.087 60.3 69.7-128.9 17.9 -8.3 -5.4 19.3 267 270 A F S S+ 0 0 45 -3,-0.3 -2,-0.1 1,-0.1 -264,-0.1 0.631 83.9 63.0-114.2 -21.4 -8.6 -9.0 18.1 268 271 A D S S+ 0 0 110 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.164 108.5 31.7 -98.0 19.9 -12.4 -9.8 18.3 269 272 A W - 0 0 34 -268,-0.1 2,-0.3 -3,-0.1 -38,-0.0 -0.956 67.2-149.2-160.6 169.2 -13.6 -7.2 15.8 270 273 A S - 0 0 65 -2,-0.3 -28,-0.1 -39,-0.0 -3,-0.1 -0.954 25.0-109.7-144.4 161.4 -12.4 -5.5 12.7 271 274 A I - 0 0 2 -2,-0.3 5,-0.1 -30,-0.1 -44,-0.0 -0.859 47.3-120.3 -88.6 119.1 -12.6 -2.2 10.8 272 275 A P > - 0 0 57 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.185 24.3-106.9 -63.3 157.2 -14.7 -3.0 7.7 273 276 A D H > S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 -2,-0.0 0.832 114.6 47.9 -58.1 -43.2 -13.1 -2.3 4.3 274 277 A Y H > S+ 0 0 177 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.953 114.7 46.4 -67.6 -43.8 -14.9 0.8 3.2 275 278 A M H >> S+ 0 0 31 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.891 109.2 56.7 -59.0 -40.5 -14.4 2.5 6.6 276 279 A F H >< S+ 0 0 46 -4,-2.6 3,-1.2 1,-0.2 4,-0.4 0.887 99.5 59.4 -59.5 -38.5 -10.8 1.4 6.5 277 280 A A H >< S+ 0 0 59 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.791 92.8 67.6 -59.8 -30.0 -10.4 3.2 3.1 278 281 A K H X< S+ 0 0 45 -4,-0.9 3,-1.6 -3,-0.8 -1,-0.2 0.782 85.8 68.7 -65.3 -25.8 -11.4 6.5 4.7 279 282 A F G X< S+ 0 0 0 -3,-1.2 3,-2.0 -4,-0.6 -1,-0.3 0.786 81.2 77.9 -62.7 -25.5 -8.2 6.6 6.8 280 283 A A G < S+ 0 0 64 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.671 89.4 55.3 -61.6 -17.9 -6.2 7.2 3.6 281 284 A E G < S+ 0 0 140 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.363 75.8 121.2 -97.9 7.8 -7.2 10.8 3.5 282 285 A I S < S- 0 0 7 -3,-2.0 -3,-0.0 -100,-0.1 2,-0.0 -0.475 74.0-103.3 -70.1 136.3 -6.0 11.8 7.0 283 286 A E - 0 0 165 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.359 38.5-132.8 -64.0 144.3 -3.4 14.6 6.9 284 287 A Q + 0 0 71 -100,-0.1 2,-0.3 -3,-0.1 -100,-0.2 -0.847 37.3 143.9-110.6 130.2 0.2 13.4 7.4 285 288 A A - 0 0 56 -102,-2.7 2,-0.4 -2,-0.4 -102,-0.1 -0.914 43.8-119.9-160.7 138.1 3.0 14.7 9.6 286 289 A R - 0 0 18 -2,-0.3 3,-0.1 1,-0.2 -102,-0.1 -0.645 21.4-170.2 -78.7 126.4 5.8 13.1 11.6 287 290 A L S S+ 0 0 38 -2,-0.4 2,-1.0 1,-0.2 -1,-0.2 0.861 74.9 57.8 -82.8 -42.0 5.6 13.9 15.3 288 291 A V + 0 0 16 1,-0.2 -1,-0.2 2,-0.1 -109,-0.1 -0.794 63.6 173.4-100.1 94.3 8.9 12.5 16.5 289 292 A T - 0 0 40 -2,-1.0 -1,-0.2 -3,-0.1 18,-0.1 0.648 38.0-129.6 -82.0 -16.0 11.4 14.5 14.5 290 293 A G > + 0 0 3 1,-0.1 3,-2.6 2,-0.1 4,-0.2 0.720 50.9 154.4 69.1 23.4 14.7 13.4 16.1 291 294 A S G > + 0 0 74 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.765 61.7 72.0 -55.2 -27.0 15.7 17.0 16.6 292 295 A F G 3 S+ 0 0 68 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.672 101.5 44.6 -62.1 -15.8 17.9 16.0 19.5 293 296 A L G < S+ 0 0 1 -3,-2.6 8,-0.5 6,-0.0 2,-0.4 0.338 100.1 88.5-105.2 1.2 20.2 14.4 16.9 294 297 A V B < +n 301 0F 31 -3,-1.8 2,-0.3 -4,-0.2 8,-0.2 -0.868 44.2 153.3-111.3 133.6 20.2 17.3 14.5 295 298 A H > - 0 0 52 6,-2.3 4,-0.8 -2,-0.4 8,-0.1 -0.931 42.5-134.4-161.3 139.6 22.6 20.3 14.5 296 299 A E T 4 S+ 0 0 157 -2,-0.3 6,-0.1 1,-0.2 -1,-0.1 0.777 104.3 11.7 -64.7 -32.7 23.8 22.7 11.9 297 300 A T T 4 S+ 0 0 102 5,-0.0 -1,-0.2 0, 0.0 5,-0.1 0.632 129.1 44.4-117.4 -23.1 27.5 22.5 13.0 298 301 A L T 4 S+ 0 0 69 3,-0.1 -170,-0.1 4,-0.1 -2,-0.1 0.392 97.5 70.1-113.4 1.2 27.9 19.7 15.5 299 302 A S S < S- 0 0 17 -4,-0.8 -4,-0.1 1,-0.1 -5,-0.1 -0.878 73.0-127.2-125.8 152.9 26.1 16.7 14.1 300 303 A P S S+ 0 0 57 0, 0.0 2,-0.6 0, 0.0 -6,-0.1 0.716 107.1 61.3 -61.3 -21.9 26.2 14.2 11.2 301 304 A Y B -n 294 0F 24 -8,-0.5 -6,-2.3 1,-0.1 -3,-0.1 -0.930 63.7-175.8-111.8 109.6 22.7 15.3 10.5 302 305 A K S S+ 0 0 119 -2,-0.6 2,-0.3 -8,-0.2 -1,-0.1 0.677 71.2 13.0 -78.8 -15.5 22.4 19.0 9.7 303 306 A S S > S- 0 0 44 1,-0.1 4,-1.9 -8,-0.1 3,-0.1 -0.967 76.8-107.1-151.3 163.2 18.6 19.0 9.5 304 307 A I H > S+ 0 0 55 -2,-0.3 4,-1.9 1,-0.2 6,-0.2 0.905 120.2 59.4 -56.0 -43.7 15.6 16.9 10.3 305 308 A E H 4>S+ 0 0 127 1,-0.2 5,-2.9 2,-0.2 6,-0.3 0.895 105.1 48.4 -54.6 -42.7 15.3 16.2 6.6 306 309 A E H >45S+ 0 0 64 3,-0.2 3,-1.2 1,-0.2 -1,-0.2 0.901 106.2 55.7 -66.5 -43.6 18.8 14.7 6.5 307 310 A L H 3<5S+ 0 0 0 -4,-1.9 -149,-0.4 1,-0.3 -1,-0.2 0.904 117.9 35.1 -53.4 -43.4 18.1 12.4 9.5 308 311 A W T ><5S- 0 0 2 -4,-1.9 3,-1.9 -5,-0.1 -149,-0.3 0.258 108.5-121.4 -96.3 9.4 15.1 10.9 7.7 309 312 A D T < 5S- 0 0 56 -3,-1.2 -3,-0.2 1,-0.3 -149,-0.1 0.912 80.8 -44.5 46.9 46.1 16.6 11.1 4.2 310 313 A G T 3