==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 24-MAR-11 3R8H . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.YOSAATMADJA,R.M.TEAGUE,J.U.FLANAGAN,C.J.SQUIRE . 303 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.3 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 . 2 0.7 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 29.0 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 0 1 2 1 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 3 0 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 . 1 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 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 6 A Q 0 0 98 0, 0.0 12,-2.6 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0-168.9 7.2 28.0 1.9 2 7 A C E -A 12 0A 69 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.869 360.0-135.2-133.7 156.7 7.4 26.9 5.6 3 8 A V E -A 11 0A 49 8,-2.5 8,-2.5 -2,-0.3 2,-0.6 -0.920 27.6-120.8-110.3 144.2 7.6 23.6 7.5 4 9 A K E -A 10 0A 133 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.745 30.7-140.6 -82.4 126.9 5.4 23.2 10.7 5 10 A L > - 0 0 2 4,-3.2 3,-2.3 -2,-0.6 189,-0.1 -0.436 25.6-102.3 -82.2 166.1 7.6 22.5 13.7 6 11 A N T 3 S+ 0 0 43 187,-0.4 162,-0.1 1,-0.3 -1,-0.1 0.529 122.1 56.3 -69.7 -5.6 6.8 20.0 16.4 7 12 A D T 3 S- 0 0 43 2,-0.2 -1,-0.3 160,-0.1 3,-0.1 0.217 121.9-104.3-101.5 9.6 5.6 22.8 18.7 8 13 A G S < S+ 0 0 36 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.342 84.4 120.6 85.3 -5.7 3.1 24.1 16.1 9 14 A H - 0 0 72 135,-0.1 -4,-3.2 -5,-0.1 2,-0.4 -0.442 60.3-123.5 -80.3 166.9 5.2 27.2 15.0 10 15 A F E -A 4 0A 123 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.0 -0.914 17.8-162.6-120.6 140.8 6.3 27.5 11.3 11 16 A M E -A 3 0A 0 -8,-2.5 -8,-2.5 -2,-0.4 32,-0.1 -0.979 26.2-119.6-121.5 125.5 9.8 27.9 10.0 12 17 A P E -A 2 0A 16 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.438 22.7-134.0 -61.9 140.5 10.6 29.2 6.4 13 18 A V S S+ 0 0 24 -12,-2.6 237,-2.5 236,-0.1 2,-0.5 0.633 88.9 59.3 -78.1 -15.5 12.5 26.4 4.6 14 19 A L E S-b 250 0B 7 -13,-0.4 28,-0.6 235,-0.2 29,-0.6 -0.974 72.7-171.0-113.4 129.0 15.1 28.7 3.1 15 20 A G E -bc 251 43B 0 235,-2.9 237,-2.0 -2,-0.5 2,-0.5 -0.872 22.2-125.4-118.5 147.6 17.2 30.7 5.5 16 21 A F E -bc 252 44B 0 27,-3.4 29,-3.1 -2,-0.4 2,-0.4 -0.797 21.2-143.2 -89.8 125.2 19.7 33.5 5.2 17 22 A G E -bc 253 45B 9 235,-1.9 237,-0.7 -2,-0.5 29,-0.1 -0.712 16.6-176.5 -86.4 127.0 23.2 32.8 6.8 18 23 A T + 0 0 0 27,-1.5 2,-0.2 -2,-0.4 -1,-0.1 0.455 39.7 117.8-104.0 -2.8 24.6 36.0 8.4 19 24 A Y + 0 0 49 26,-0.2 -2,-0.1 27,-0.1 32,-0.1 -0.471 32.0 166.0 -73.5 135.9 28.0 34.9 9.6 20 25 A A - 0 0 1 30,-0.2 9,-0.0 -2,-0.2 -2,-0.0 -0.979 40.2 -99.5-140.7 144.3 31.0 36.6 8.0 21 26 A P > - 0 0 13 0, 0.0 3,-2.3 0, 0.0 29,-0.0 -0.131 41.5 -97.8 -64.7 166.2 34.6 36.5 9.2 22 27 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.694 117.5 69.6 -63.1 -16.6 36.1 39.4 11.3 23 28 A E T 3 S+ 0 0 146 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.764 82.8 84.2 -70.8 -20.4 37.7 41.0 8.3 24 29 A V S < S- 0 0 37 -3,-2.3 -4,-0.1 1,-0.1 5,-0.1 -0.714 95.2-108.3 -83.4 122.3 34.3 41.9 6.9 25 30 A P > - 0 0 76 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.205 21.2-125.2 -48.9 138.5 33.1 45.3 8.5 26 31 A R T >> S+ 0 0 59 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.839 108.7 65.5 -55.9 -37.8 30.2 44.7 10.9 27 32 A S H 3> S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.662 84.3 72.7 -60.8 -20.2 28.1 47.2 8.9 28 33 A K H <> S+ 0 0 92 -3,-2.0 4,-2.8 1,-0.2 5,-0.3 0.890 89.9 61.5 -62.2 -35.4 28.1 44.8 5.9 29 34 A A H <> S+ 0 0 2 -3,-1.2 4,-2.0 -4,-0.5 -1,-0.2 0.854 102.1 50.8 -56.8 -40.6 25.6 42.6 7.9 30 35 A L H X S+ 0 0 43 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.969 113.2 44.4 -60.8 -53.7 23.1 45.4 8.0 31 36 A E H X S+ 0 0 98 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.934 116.6 43.7 -62.2 -44.7 23.3 46.0 4.3 32 37 A V H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.833 109.8 56.3 -77.2 -30.0 23.1 42.4 3.2 33 38 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.891 107.7 48.3 -64.7 -39.9 20.4 41.5 5.6 34 39 A K H X S+ 0 0 67 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.930 111.9 50.2 -63.7 -45.1 18.1 44.2 4.2 35 40 A L H X S+ 0 0 20 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.877 109.1 52.9 -56.3 -41.1 19.0 42.8 0.6 36 41 A A H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-1.1 0.945 110.3 45.4 -60.1 -48.8 18.1 39.3 1.7 37 42 A I H ><5S+ 0 0 2 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.926 111.9 53.2 -65.0 -39.9 14.7 40.4 3.0 38 43 A E H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.906 107.1 53.0 -56.1 -39.1 14.2 42.4 -0.3 39 44 A A H 3<5S- 0 0 20 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.678 131.0 -91.6 -75.1 -17.6 15.0 39.3 -2.3 40 45 A G T <<5S+ 0 0 38 -4,-1.1 -3,-0.2 -3,-0.7 2,-0.2 0.369 75.3 143.8 123.7 -1.1 12.4 37.2 -0.4 41 46 A F < + 0 0 3 -5,-2.4 -1,-0.3 -6,-0.2 -26,-0.1 -0.474 15.1 170.6 -68.8 139.3 14.3 35.6 2.5 42 47 A R + 0 0 85 -28,-0.6 33,-3.4 -2,-0.2 2,-0.4 0.377 59.9 70.5-126.4 -2.5 12.1 35.4 5.6 43 48 A H E -cd 15 75B 1 -29,-0.6 -27,-3.4 31,-0.2 2,-0.5 -0.978 62.6-172.6-121.8 126.5 14.3 33.2 7.9 44 49 A I E -cd 16 76B 0 31,-2.8 33,-2.6 -2,-0.4 2,-0.6 -0.994 9.3-152.9-129.9 120.3 17.4 34.9 9.1 45 50 A D E +cd 17 77B 4 -29,-3.1 -27,-1.5 -2,-0.5 -26,-0.2 -0.875 29.6 145.2-104.2 118.6 20.1 32.9 11.0 46 51 A S - 0 0 0 31,-2.3 2,-0.3 -2,-0.6 3,-0.1 -0.591 21.6-164.6-134.1-164.2 22.3 34.7 13.5 47 52 A A > > - 0 0 0 31,-0.2 3,-1.3 -2,-0.2 5,-0.5 -0.926 39.5-103.3-177.7 154.1 24.0 34.0 16.9 48 53 A H G > 5S+ 0 0 80 31,-1.6 3,-1.7 -2,-0.3 5,-0.2 0.922 118.4 59.4 -53.3 -46.3 25.7 35.6 19.8 49 54 A L G 3 5S+ 0 0 76 30,-0.3 -1,-0.3 1,-0.2 31,-0.0 0.718 90.4 67.5 -52.2 -31.0 29.1 34.5 18.3 50 55 A Y G < 5S- 0 0 25 -3,-1.3 -1,-0.2 1,-0.1 -30,-0.2 0.617 89.6-142.9 -78.2 -10.4 28.7 36.3 15.0 51 56 A N T < 5S+ 0 0 115 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.920 77.4 95.8 53.3 42.7 29.0 39.7 16.7 52 57 A N >< + 0 0 0 -5,-0.5 4,-3.0 -4,-0.1 5,-0.2 0.237 36.1 110.5-143.1 8.1 26.4 41.1 14.2 53 58 A E H > S+ 0 0 8 -6,-0.2 4,-2.8 1,-0.2 5,-0.3 0.859 79.0 56.5 -63.6 -33.2 23.1 40.8 16.1 54 59 A E H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 114.3 39.0 -53.6 -48.6 22.9 44.7 16.4 55 60 A Q H > S+ 0 0 43 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.917 116.4 49.6 -75.7 -43.1 23.1 45.0 12.6 56 61 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.938 113.6 46.4 -61.9 -48.4 20.9 42.0 11.8 57 62 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.896 112.1 51.6 -61.4 -38.1 18.2 43.3 14.2 58 63 A L H X S+ 0 0 71 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.915 107.7 52.1 -68.0 -39.3 18.5 46.8 12.8 59 64 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.924 112.2 45.9 -56.7 -45.2 18.1 45.4 9.2 60 65 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.968 114.6 47.6 -66.5 -47.4 14.9 43.5 10.3 61 66 A R H X S+ 0 0 87 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.879 109.7 53.6 -57.9 -40.3 13.6 46.7 12.2 62 67 A S H X S+ 0 0 38 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.876 109.4 47.9 -60.5 -38.4 14.4 48.8 9.1 63 68 A K H <>S+ 0 0 8 -4,-1.9 6,-1.4 2,-0.2 5,-1.0 0.743 113.6 48.0 -78.1 -24.5 12.3 46.5 6.8 64 69 A I H ><5S+ 0 0 55 -4,-1.8 3,-1.7 4,-0.2 -2,-0.2 0.921 111.1 51.0 -71.3 -47.8 9.5 46.5 9.3 65 70 A A H 3<5S+ 0 0 87 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.853 109.2 49.3 -60.9 -37.1 9.6 50.3 9.6 66 71 A D T 3<5S- 0 0 94 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.436 117.0-113.9 -86.0 6.4 9.5 50.9 5.8 67 72 A G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.461 80.9 122.6 80.0 5.0 6.5 48.5 5.6 68 73 A S S - 0 0 124 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.746 35.3-110.4 -98.6 157.5 5.7 42.6 9.6 71 76 A R G > S+ 0 0 35 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.903 120.6 57.4 -50.0 -42.9 7.5 41.1 12.6 72 77 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.610 98.7 62.4 -73.2 -5.6 5.4 38.0 12.4 73 78 A D G < S+ 0 0 78 -3,-1.9 2,-0.4 2,-0.0 -1,-0.3 0.568 93.9 74.6 -83.1 -16.7 6.7 37.6 8.8 74 79 A I < - 0 0 3 -3,-1.8 2,-0.6 -4,-0.5 -31,-0.2 -0.843 64.7-156.7-104.4 137.5 10.3 37.2 9.8 75 80 A F E -d 43 0B 7 -33,-3.4 -31,-2.8 -2,-0.4 2,-0.5 -0.943 19.8-171.4-109.7 109.1 11.7 34.0 11.5 76 81 A Y E -d 44 0B 0 -2,-0.6 31,-1.9 -33,-0.2 32,-1.7 -0.903 3.2-164.4-111.8 129.5 14.8 35.2 13.4 77 82 A T E +de 45 108B 0 -33,-2.6 -31,-2.3 -2,-0.5 2,-0.3 -0.907 9.7 175.4-111.1 136.0 17.2 32.7 15.0 78 83 A S E - e 0 109B 0 30,-2.4 32,-1.7 -2,-0.4 2,-0.4 -0.829 17.1-140.8-127.7 175.1 19.9 33.3 17.6 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.6 30,-0.2 2,-0.5 -0.996 13.9-123.7-142.0 135.8 22.1 30.8 19.4 80 85 A L E - e 0 111B 0 30,-3.0 32,-2.1 -2,-0.4 33,-0.4 -0.706 36.7-128.5 -77.0 120.4 23.5 30.3 22.9 81 86 A W > - 0 0 51 -2,-0.5 3,-1.9 31,-0.1 12,-0.1 -0.362 21.1-109.3 -77.3 159.7 27.3 30.2 22.7 82 87 A S G > S+ 0 0 2 1,-0.3 35,-2.6 2,-0.2 3,-0.6 0.525 113.5 66.1 -77.9 -11.3 29.1 27.3 24.4 83 88 A T G 3 S+ 0 0 36 33,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.388 101.0 56.5 -77.9 0.0 30.6 29.4 27.3 84 89 A F G < + 0 0 60 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.038 68.1 110.5-121.3 24.2 27.0 29.9 28.5 85 90 A H < + 0 0 1 -3,-0.6 -1,-0.1 32,-0.3 5,-0.1 0.708 45.7 104.7 -69.6 -28.9 25.8 26.2 28.9 86 91 A R S > S- 0 0 94 -3,-0.2 3,-2.2 1,-0.1 4,-0.5 -0.444 84.0-122.5 -59.8 133.7 25.6 26.4 32.7 87 92 A P G >> S+ 0 0 45 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.819 107.1 57.0 -59.2 -34.0 21.8 26.6 33.2 88 93 A E G 34 S+ 0 0 130 1,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.644 105.7 53.7 -66.3 -19.1 21.8 29.9 35.2 89 94 A L G <> S+ 0 0 52 -3,-2.2 4,-1.7 2,-0.1 -1,-0.3 0.544 89.5 79.9 -90.0 -10.2 23.6 31.7 32.2 90 95 A V H <> S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.5 5,-0.2 0.964 93.8 40.9 -70.9 -49.1 21.1 30.6 29.5 91 96 A R H X S+ 0 0 112 -4,-0.6 4,-2.9 1,-0.2 5,-0.2 0.945 114.7 51.5 -72.4 -41.0 18.3 33.2 30.0 92 97 A P H > S+ 0 0 58 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.898 109.8 51.8 -55.9 -37.2 20.7 36.1 30.6 93 98 A A H X S+ 0 0 11 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.914 111.9 46.2 -66.7 -40.4 22.5 35.2 27.3 94 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.929 111.0 50.9 -66.5 -45.0 19.2 35.1 25.4 95 100 A E H X S+ 0 0 78 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.888 109.2 52.9 -59.5 -39.8 18.1 38.4 27.0 96 101 A N H X S+ 0 0 106 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.913 108.3 49.3 -62.0 -41.9 21.5 39.9 25.9 97 102 A S H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.910 110.4 51.4 -59.5 -43.3 20.9 38.8 22.3 98 103 A L H X>S+ 0 0 12 -4,-2.6 5,-2.0 1,-0.2 4,-1.1 0.855 110.5 48.2 -60.3 -40.5 17.4 40.3 22.4 99 104 A K H <5S+ 0 0 58 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.883 111.0 50.8 -69.6 -37.7 18.8 43.7 23.6 100 105 A K H <5S+ 0 0 106 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.937 119.1 36.7 -64.7 -43.5 21.5 43.6 20.9 101 106 A A H <5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.616 104.4-133.5 -80.8 -15.9 19.0 43.0 18.2 102 107 A Q T <5 + 0 0 129 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.872 59.0 135.8 59.2 45.5 16.4 45.2 19.9 103 108 A L < - 0 0 16 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.835 60.4-135.4-119.4 155.0 13.7 42.6 19.5 104 109 A D S S- 0 0 147 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.736 84.9 -5.0 -78.0 -27.5 11.1 41.3 22.0 105 110 A Y - 0 0 38 -7,-0.1 2,-0.3 38,-0.0 38,-0.2 -0.987 63.3-122.3-157.3 160.3 11.6 37.6 21.1 106 111 A V E - f 0 143B 0 36,-2.4 38,-2.3 -2,-0.3 39,-0.3 -0.821 16.0-139.8-100.9 151.0 13.5 35.3 18.8 107 112 A D E S+ 0 0 19 -31,-1.9 38,-1.1 -2,-0.3 2,-0.3 0.814 90.9 16.8 -75.0 -27.0 11.6 32.9 16.7 108 113 A L E -ef 77 145B 1 -32,-1.7 -30,-2.4 36,-0.2 2,-0.4 -0.989 60.4-170.8-149.0 133.3 14.2 30.2 17.5 109 114 A Y E -ef 78 146B 1 36,-1.8 38,-2.2 -2,-0.3 2,-0.4 -0.995 17.3-170.0-127.2 132.5 16.9 29.9 20.0 110 115 A L E -ef 79 147B 0 -32,-1.7 -30,-3.0 -2,-0.4 2,-0.6 -0.914 34.7-118.4-120.4 145.9 19.5 27.1 19.7 111 116 A I E -ef 80 148B 0 36,-1.9 38,-0.9 -2,-0.4 -30,-0.1 -0.743 36.7-145.6 -69.1 118.0 22.2 25.5 21.8 112 117 A H - 0 0 16 -32,-2.1 -1,-0.2 -2,-0.6 -31,-0.1 0.868 67.9 -15.5 -68.1 -35.5 25.0 26.5 19.3 113 118 A S - 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0 0 38 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.919 29.0-109.4-135.5 158.0 23.9 27.1 -11.0 235 252 A P H > S+ 0 0 33 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.903 119.7 54.2 -52.5 -41.4 25.8 24.6 -8.9 236 253 A A H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 106.9 49.1 -60.1 -46.6 24.7 26.6 -5.7 237 254 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.852 109.9 52.1 -63.7 -35.5 21.0 26.3 -6.7 238 255 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.945 110.0 49.1 -61.4 -46.7 21.4 22.5 -7.3 239 256 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.865 115.0 44.1 -62.6 -37.7 22.9 22.1 -3.8 240 257 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.912 112.2 51.7 -69.7 -44.8 20.1 24.1 -2.2 241 258 A R H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.895 102.6 60.4 -61.3 -41.7 17.4 22.4 -4.2 242 259 A Y H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.914 105.2 48.4 -49.3 -48.4 18.7 19.0 -3.1 243 260 A Q H ><>S+ 0 0 0 -4,-1.1 5,-2.5 1,-0.2 3,-0.9 0.938 109.0 52.3 -61.7 -47.4 18.2 19.8 0.6 244 261 A L H ><5S+ 0 0 28 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.920 108.0 52.1 -55.1 -39.5 14.6 21.1 -0.0 245 262 A Q H 3<5S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.689 107.5 52.0 -78.3 -16.2 13.7 17.8 -1.8 246 263 A R T <<5S- 0 0 20 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.322 121.9-103.8 -97.9 12.8 15.0 15.7 1.0 247 264 A G T < 5S+ 0 0 52 -3,-1.6 -51,-0.4 1,-0.3 2,-0.4 0.774 77.6 136.3 77.4 24.7 12.9 17.5 3.6 248 265 A V < - 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