==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JAN-04 1S1P . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.L.LOVERING,J.P.RIDE,C.M.BUNCE,J.C.DESMOND,S.M.CUMMINGS, . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.2 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 . 2 0.6 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 1 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 0 172 0, 0.0 12,-2.5 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0 120.5 49.2 -26.7 50.4 2 7 A C E -A 12 0A 61 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.831 360.0-136.3-123.1 166.9 48.9 -25.5 54.0 3 8 A V E -A 11 0A 50 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.940 29.0-115.5-118.5 144.5 48.7 -22.2 55.9 4 9 A K E -A 10 0A 129 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.695 30.0-140.7 -82.7 127.4 50.6 -21.6 59.1 5 10 A L > - 0 0 4 4,-3.4 3,-2.1 -2,-0.5 201,-0.1 -0.425 26.1-104.0 -83.1 164.6 48.3 -21.1 62.1 6 11 A N T 3 S+ 0 0 43 199,-0.4 174,-0.1 1,-0.3 -1,-0.1 0.504 120.0 55.1 -73.4 -1.3 49.0 -18.6 64.9 7 12 A D T 3 S- 0 0 43 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.252 123.1-100.2-108.9 8.9 50.2 -21.3 67.3 8 13 A G S < S+ 0 0 36 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.304 85.3 119.3 93.2 -11.6 52.8 -22.6 64.8 9 14 A H - 0 0 69 147,-0.1 -4,-3.4 -5,-0.1 2,-0.4 -0.363 58.9-123.3 -81.4 169.5 50.9 -25.6 63.5 10 15 A F E -A 4 0A 117 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.0 -0.954 17.4-162.7-122.7 136.7 50.0 -26.0 59.8 11 16 A M E -A 3 0A 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.1 -0.956 23.7-122.1-119.7 124.4 46.5 -26.5 58.3 12 17 A P E -A 2 0A 21 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.435 21.0-135.0 -62.5 139.7 45.8 -27.9 54.8 13 18 A V S S+ 0 0 19 -12,-2.5 249,-2.6 248,-0.1 2,-0.5 0.617 89.1 58.1 -78.2 -13.8 43.8 -25.3 52.9 14 19 A L E S-b 262 0B 12 -13,-0.4 29,-0.7 247,-0.2 28,-0.5 -0.983 71.7-174.6-115.0 126.6 41.3 -27.8 51.4 15 20 A G E -bc 263 43B 0 247,-2.7 249,-1.8 -2,-0.5 2,-0.5 -0.904 24.3-122.8-123.1 152.7 39.3 -29.9 53.9 16 21 A F E -bc 264 44B 0 27,-3.0 29,-2.9 -2,-0.3 2,-0.5 -0.811 22.3-141.7 -93.8 122.3 36.9 -32.8 53.6 17 22 A G E -bc 265 45B 8 247,-1.8 249,-0.6 -2,-0.5 29,-0.1 -0.725 16.7-175.2 -84.4 127.2 33.5 -32.2 55.2 18 23 A T + 0 0 0 27,-1.7 2,-0.2 -2,-0.5 -1,-0.1 0.497 38.6 118.5-104.1 -4.6 32.1 -35.4 56.8 19 24 A Y + 0 0 41 26,-0.2 32,-0.1 27,-0.1 -2,-0.1 -0.453 30.3 168.1 -69.6 133.0 28.6 -34.4 58.0 20 25 A A - 0 0 2 30,-0.3 9,-0.0 -2,-0.2 -2,-0.0 -0.986 39.6-102.4-135.0 143.9 25.8 -36.4 56.5 21 26 A P > - 0 0 13 0, 0.0 3,-2.4 0, 0.0 29,-0.0 -0.160 38.3-100.3 -64.4 161.3 22.2 -36.3 57.8 22 27 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.659 117.2 70.5 -58.8 -19.8 20.8 -39.1 60.0 23 28 A E T 3 S+ 0 0 145 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.600 83.1 85.7 -73.0 -11.4 19.0 -40.7 57.0 24 29 A V S < S- 0 0 37 -3,-2.4 -4,-0.1 1,-0.1 5,-0.1 -0.798 95.1-107.8 -90.0 126.2 22.4 -41.7 55.6 25 30 A P > - 0 0 87 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.229 22.8-124.6 -53.7 141.3 23.6 -45.0 57.1 26 31 A R T > S+ 0 0 66 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.797 105.8 66.7 -59.7 -31.9 26.5 -44.6 59.5 27 32 A S T >> S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.734 84.6 74.1 -62.6 -22.7 28.7 -47.0 57.6 28 33 A K H <> S+ 0 0 74 -3,-1.7 4,-2.7 1,-0.2 5,-0.3 0.876 86.2 61.4 -62.8 -36.4 28.8 -44.5 54.6 29 34 A A H <> S+ 0 0 3 -3,-1.0 4,-1.9 -4,-0.4 -1,-0.2 0.833 101.8 53.6 -58.9 -34.3 31.2 -42.1 56.5 30 35 A L H <> S+ 0 0 38 -3,-0.7 4,-1.8 -4,-0.5 -1,-0.2 0.965 111.5 44.4 -63.5 -51.1 33.8 -44.9 56.7 31 36 A E H X S+ 0 0 89 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.930 116.9 43.5 -59.6 -50.1 33.7 -45.5 52.9 32 37 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.824 109.5 55.0 -73.2 -31.1 33.7 -41.9 51.8 33 38 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.903 109.0 49.3 -68.2 -38.2 36.4 -40.8 54.3 34 39 A K H X S+ 0 0 72 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.935 111.7 49.4 -62.3 -43.5 38.7 -43.5 52.9 35 40 A L H X S+ 0 0 23 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.893 109.1 52.6 -61.0 -40.8 37.9 -42.3 49.3 36 41 A A H X>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.9 0.934 110.6 46.4 -61.5 -46.1 38.6 -38.7 50.4 37 42 A I H ><5S+ 0 0 2 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.929 111.8 51.7 -62.2 -43.5 42.1 -39.7 51.7 38 43 A E H 3<5S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.881 107.9 52.8 -60.2 -37.6 42.7 -41.7 48.5 39 44 A A H 3<5S- 0 0 28 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.655 130.7 -92.3 -72.4 -18.3 41.8 -38.7 46.4 40 45 A G T <<5S+ 0 0 40 -3,-0.9 -3,-0.2 -4,-0.9 2,-0.1 0.360 75.9 142.1 122.9 -5.0 44.3 -36.5 48.3 41 46 A F < + 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 -26,-0.1 -0.466 12.0 164.4 -67.2 139.3 42.3 -34.9 51.2 42 47 A R + 0 0 79 -28,-0.5 33,-2.6 1,-0.2 2,-0.5 0.576 57.8 75.0-124.5 -30.3 44.4 -34.7 54.4 43 48 A H E -cd 15 75B 1 -29,-0.7 -27,-3.0 31,-0.2 2,-0.4 -0.792 65.0-173.2 -88.7 122.5 42.3 -32.2 56.4 44 49 A I E -cd 16 76B 0 31,-2.8 33,-2.6 -2,-0.5 2,-0.6 -0.988 9.8-153.1-125.9 123.8 39.2 -34.0 57.7 45 50 A D E +cd 17 77B 4 -29,-2.9 -27,-1.7 -2,-0.4 -26,-0.2 -0.870 29.0 145.0-107.4 116.4 36.4 -32.1 59.5 46 51 A S - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.596 21.0-166.4-130.9-167.3 34.1 -33.9 62.0 47 52 A A > > - 0 0 0 31,-0.2 3,-1.0 -2,-0.2 5,-0.5 -0.931 39.4-105.6-177.1 153.3 32.3 -33.1 65.3 48 53 A H G > 5S+ 0 0 53 31,-1.5 3,-1.6 -2,-0.3 5,-0.2 0.915 117.9 61.1 -55.0 -42.1 30.6 -34.7 68.2 49 54 A L G 3 5S+ 0 0 44 1,-0.3 -1,-0.2 30,-0.3 74,-0.1 0.771 90.8 69.1 -57.6 -26.8 27.3 -33.6 66.7 50 55 A Y G < 5S- 0 0 26 -3,-1.0 -30,-0.3 1,-0.1 -1,-0.3 0.609 89.6-141.8 -75.7 -12.7 27.8 -35.5 63.5 51 56 A N T < 5S+ 0 0 95 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.904 79.2 93.6 53.1 43.2 27.4 -39.0 65.1 52 57 A N >< + 0 0 2 -5,-0.5 4,-2.9 -4,-0.1 3,-0.5 0.339 37.1 107.9-143.3 3.1 30.2 -40.2 62.8 53 58 A E H > S+ 0 0 6 -6,-0.3 4,-2.7 1,-0.3 5,-0.2 0.845 81.9 54.0 -62.4 -33.0 33.6 -39.9 64.7 54 59 A E H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.896 114.3 41.0 -64.9 -39.3 33.9 -43.6 65.1 55 60 A Q H > S+ 0 0 46 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.905 117.2 46.7 -76.8 -43.1 33.5 -44.2 61.4 56 61 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.924 113.5 49.9 -64.3 -43.0 35.7 -41.3 60.4 57 62 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.893 108.6 52.5 -62.0 -40.7 38.3 -42.3 62.9 58 63 A L H X S+ 0 0 69 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.896 107.0 53.1 -63.1 -39.4 38.2 -45.9 61.6 59 64 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 110.5 47.1 -60.0 -45.7 38.8 -44.6 58.0 60 65 A I H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.945 113.4 47.6 -62.0 -48.3 41.9 -42.7 59.2 61 66 A R H X S+ 0 0 76 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.868 110.3 53.4 -60.6 -38.2 43.2 -45.7 61.1 62 67 A S H X S+ 0 0 36 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.893 108.9 47.9 -64.2 -41.6 42.6 -47.9 58.1 63 68 A K H <>S+ 0 0 12 -4,-2.1 6,-1.9 2,-0.2 5,-1.0 0.702 113.1 49.0 -74.9 -19.1 44.5 -45.6 55.8 64 69 A I H ><5S+ 0 0 55 -4,-1.4 3,-1.2 4,-0.2 -2,-0.2 0.862 109.8 52.3 -80.7 -38.9 47.4 -45.5 58.3 65 70 A A H 3<5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.838 108.6 49.0 -66.1 -35.3 47.4 -49.3 58.6 66 71 A D T 3<5S- 0 0 91 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.1 0.379 116.7-112.8 -88.8 5.8 47.6 -49.9 54.9 67 72 A G T < 5S+ 0 0 65 -3,-1.2 -3,-0.2 2,-0.3 -2,-0.1 0.506 82.4 122.3 80.4 6.7 50.5 -47.4 54.6 68 73 A S S > - 0 0 126 -2,-0.3 3,-1.9 -3,-0.1 4,-0.5 -0.790 36.0-108.2-107.4 159.8 50.9 -41.5 58.6 71 76 A R G >4 S+ 0 0 33 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.881 119.7 58.6 -53.7 -40.6 49.0 -39.9 61.5 72 77 A E G 34 S+ 0 0 136 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.640 98.8 60.1 -66.3 -15.0 51.1 -36.7 61.1 73 78 A D G <4 S+ 0 0 80 -3,-1.9 2,-0.4 2,-0.0 -1,-0.3 0.603 94.3 78.5 -84.4 -16.4 49.9 -36.4 57.5 74 79 A I << - 0 0 3 -3,-1.5 2,-0.6 -4,-0.5 -31,-0.2 -0.801 63.4-157.9 -99.7 136.9 46.3 -36.1 58.6 75 80 A F E -d 43 0B 8 -33,-2.6 -31,-2.8 -2,-0.4 2,-0.5 -0.937 20.5-171.3-111.7 102.5 44.8 -32.9 60.0 76 81 A Y E -d 44 0B 1 -2,-0.6 32,-1.8 -33,-0.2 31,-1.8 -0.870 4.4-165.9-105.6 127.2 41.7 -34.0 62.0 77 82 A T E +de 45 108B 0 -33,-2.6 -31,-2.4 -2,-0.5 2,-0.3 -0.904 9.7 173.0-110.7 134.8 39.2 -31.6 63.4 78 83 A S E - e 0 109B 0 30,-2.4 32,-1.8 -2,-0.4 2,-0.4 -0.816 18.3-138.7-125.6 175.2 36.5 -32.2 66.0 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.5 30,-0.2 2,-0.5 -0.998 13.9-121.3-142.5 140.7 34.2 -29.8 67.8 80 85 A L E - e 0 111B 0 30,-3.2 32,-2.0 -2,-0.4 33,-0.4 -0.674 37.0-130.0 -76.0 118.5 32.7 -29.2 71.2 81 86 A W > - 0 0 31 -2,-0.5 3,-2.1 30,-0.1 -1,-0.1 -0.343 20.5-109.1 -76.0 158.5 29.0 -29.4 71.1 82 87 A S G > S+ 0 0 1 1,-0.3 35,-2.5 2,-0.2 3,-0.7 0.564 113.2 64.3 -69.6 -14.5 26.9 -26.6 72.7 83 88 A T G 3 S+ 0 0 4 1,-0.2 -1,-0.3 33,-0.2 37,-0.2 0.422 100.7 56.9 -83.6 0.4 25.6 -28.7 75.6 84 89 A F G < + 0 0 49 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.045 67.9 110.4-119.6 24.9 29.2 -29.0 76.8 85 90 A H < + 0 0 1 -3,-0.7 -1,-0.1 32,-0.3 5,-0.1 0.765 46.8 102.2 -71.9 -27.0 30.1 -25.3 77.1 86 91 A R S >> S- 0 0 97 -3,-0.2 3,-2.5 1,-0.1 4,-0.5 -0.421 84.8-122.5 -58.7 131.5 30.3 -25.3 80.9 87 92 A P H >> S+ 0 0 51 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.798 107.3 58.5 -53.7 -38.3 34.0 -25.4 81.5 88 93 A E H 34 S+ 0 0 126 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.657 105.4 53.0 -65.1 -14.5 34.0 -28.7 83.6 89 94 A L H <> S+ 0 0 48 -3,-2.5 4,-1.9 2,-0.1 -1,-0.2 0.565 89.3 79.9 -96.0 -9.6 32.5 -30.5 80.6 90 95 A V H S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.903 109.3 51.9 -56.4 -38.1 35.5 -34.8 79.1 93 98 A A H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.915 111.6 45.8 -63.7 -43.4 33.8 -34.0 75.8 94 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.920 111.1 52.6 -65.2 -42.9 37.1 -33.9 73.9 95 100 A E H X S+ 0 0 79 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.879 107.9 52.0 -61.1 -36.9 38.2 -37.2 75.6 96 101 A N H X S+ 0 0 53 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.914 109.2 49.5 -65.6 -41.7 34.9 -38.8 74.4 97 102 A S H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.907 111.2 49.8 -62.3 -41.4 35.6 -37.6 70.9 98 103 A L H X>S+ 0 0 12 -4,-2.5 5,-1.8 2,-0.2 4,-1.3 0.892 110.3 50.4 -64.1 -39.5 39.1 -39.0 71.0 99 104 A K H <5S+ 0 0 104 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.920 110.9 48.8 -64.9 -43.3 37.8 -42.3 72.3 100 105 A K H <5S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.935 117.8 39.6 -61.2 -46.2 35.2 -42.6 69.5 101 106 A A H <5S- 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.616 103.9-130.9 -79.8 -13.2 37.8 -41.8 66.8 102 107 A Q T <5 + 0 0 121 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.900 60.6 137.9 59.2 44.9 40.5 -43.9 68.5 103 108 A L < - 0 0 17 -5,-1.8 -1,-0.2 -6,-0.1 3,-0.1 -0.861 58.2-140.9-116.8 153.7 43.0 -41.1 68.2 104 109 A D S S- 0 0 147 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.727 86.0 -2.1 -82.2 -25.5 45.5 -39.8 70.7 105 110 A Y - 0 0 38 -7,-0.1 2,-0.4 50,-0.0 -1,-0.2 -0.978 64.7-125.3-156.6 157.1 44.9 -36.2 69.8 106 111 A V E - f 0 155B 0 48,-2.3 50,-2.5 -2,-0.3 51,-0.3 -0.851 17.2-139.1-100.2 148.5 42.9 -34.0 67.4 107 112 A D E S+ 0 0 19 -31,-1.8 50,-1.1 -2,-0.4 2,-0.4 0.838 90.6 16.6 -70.9 -30.7 44.7 -31.5 65.3 108 113 A L E -ef 77 157B 2 -32,-1.8 -30,-2.4 48,-0.2 2,-0.4 -0.992 61.6-169.5-147.4 132.7 42.0 -29.0 65.9 109 114 A Y E -ef 78 158B 1 48,-1.8 50,-2.2 -2,-0.4 2,-0.3 -0.995 17.8-169.5-123.0 126.9 39.2 -28.7 68.5 110 115 A L E -ef 79 159B 0 -32,-1.8 -30,-3.2 -2,-0.4 2,-0.8 -0.874 33.9-119.8-115.0 147.3 36.6 -26.0 68.0 111 116 A I E -ef 80 160B 0 48,-1.7 50,-1.1 -2,-0.3 -30,-0.1 -0.787 35.9-148.9 -72.5 115.7 33.8 -24.5 70.0 112 117 A H - 0 0 16 -32,-2.0 -1,-0.2 -2,-0.8 -31,-0.1 0.842 67.1 -7.8 -62.8 -34.5 31.1 -25.6 67.4 113 118 A S - 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0 0 37 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.916 29.0-108.9-133.0 158.5 32.3 -27.0 37.4 247 252 A P H > S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.889 119.8 54.6 -55.5 -38.8 30.3 -24.5 39.5 248 253 A A H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.927 107.4 49.5 -59.9 -46.2 31.5 -26.3 42.6 249 254 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 109.5 51.8 -62.4 -37.7 35.2 -25.9 41.6 250 255 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.937 110.0 49.2 -61.6 -45.4 34.6 -22.2 40.9 251 256 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.867 114.0 45.4 -64.4 -36.8 33.1 -21.8 44.4 252 257 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 3,-0.2 0.915 112.4 50.1 -71.3 -43.3 36.0 -23.6 46.1 253 258 A R H X S+ 0 0 33 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.878 102.8 61.9 -64.3 -37.8 38.7 -21.8 44.1 254 259 A Y H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.919 105.8 46.8 -51.4 -47.3 37.1 -18.4 45.0 255 260 A Q H ><>S+ 0 0 0 -4,-1.1 5,-2.3 -3,-0.2 3,-1.2 0.945 109.0 52.8 -65.9 -45.7 37.7 -19.1 48.6 256 261 A L H ><5S+ 0 0 27 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.903 106.4 53.8 -57.7 -40.0 41.3 -20.2 48.2 257 262 A Q H 3<5S+ 0 0 60 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.680 106.0 53.1 -72.4 -14.6 42.1 -17.0 46.3 258 263 A R T <<5S- 0 0 37 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.401 122.6-104.9 -93.4 0.4 40.8 -14.9 49.1 259 264 A G T < 5S+ 0 0 55 -3,-1.6 2,-0.4 -4,-0.4 -51,-0.4 0.700 76.2 140.0 81.9 19.9 43.0 -16.7 51.6 260 265 A V < - 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