==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-DEC-03 1RY0 . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.KOMOTO,T.YAMADA,K.WATANABE,F.TAKUSAGAWA . 638 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.1 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 37 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.4 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 2 4 1 3 2 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 3 4 4 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 . 6 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 2 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 5 A Q 0 0 86 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0-151.7 -28.5 -32.5 12.4 2 6 A Q - 0 0 113 13,-0.1 12,-2.1 2,-0.0 13,-0.4 -0.905 360.0-133.7 178.9 159.7 -30.1 -29.2 13.8 3 7 A C E -A 13 0A 64 10,-0.3 2,-0.4 -2,-0.3 8,-0.0 -0.910 1.2-146.3-132.2 159.4 -30.0 -25.5 13.1 4 8 A V E -A 12 0A 44 8,-2.2 8,-2.5 -2,-0.3 2,-0.5 -0.970 26.1-122.7-122.4 136.0 -29.8 -22.2 15.0 5 9 A K E -A 11 0A 128 -2,-0.4 6,-0.3 6,-0.2 5,-0.1 -0.705 27.3-139.5 -83.0 123.3 -31.5 -19.0 13.8 6 10 A L > - 0 0 6 4,-3.7 3,-2.1 -2,-0.5 201,-0.1 -0.299 26.7-108.7 -76.0 162.6 -29.1 -16.1 13.2 7 11 A N T 3 S+ 0 0 44 199,-0.4 174,-0.2 1,-0.3 -1,-0.1 0.439 122.2 68.0 -71.2 6.2 -29.9 -12.6 14.2 8 12 A D T 3 S- 0 0 38 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.605 116.8-114.7 -94.2 -23.8 -30.0 -12.3 10.4 9 13 A G S < S+ 0 0 33 -3,-2.1 -2,-0.1 1,-0.5 2,-0.0 0.077 84.0 115.6 102.5 -18.8 -33.2 -14.5 10.2 10 14 A H - 0 0 69 147,-0.1 -4,-3.7 -5,-0.1 -1,-0.5 -0.254 63.9-121.3 -77.0 168.4 -31.0 -17.0 8.4 11 15 A F E -A 5 0A 114 -6,-0.3 -6,-0.2 -3,-0.1 -1,-0.1 -0.928 17.2-164.7-121.0 140.1 -30.2 -20.5 9.7 12 16 A M E -A 4 0A 0 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.2 -0.981 27.6-120.2-124.0 122.8 -26.8 -22.1 10.5 13 17 A P E -A 3 0A 10 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.442 21.8-134.5 -61.0 129.5 -26.5 -25.9 11.0 14 18 A V S S+ 0 0 8 -12,-2.1 249,-2.1 -2,-0.2 2,-0.5 0.584 90.9 62.7 -64.5 -10.2 -25.1 -26.4 14.6 15 19 A L E S-b 263 0B 0 -13,-0.4 29,-0.8 247,-0.2 28,-0.5 -0.972 71.2-174.9-120.1 120.5 -22.5 -28.9 13.3 16 20 A G E -bc 264 44B 0 247,-2.8 249,-1.6 -2,-0.5 2,-0.6 -0.866 23.5-125.9-119.3 151.5 -19.9 -27.7 10.8 17 21 A F E -bc 265 45B 1 27,-3.0 29,-3.0 -2,-0.3 2,-0.5 -0.822 20.6-143.1 -96.5 119.2 -17.2 -29.4 8.7 18 22 A G E -bc 266 46B 9 247,-1.9 249,-0.7 -2,-0.6 29,-0.1 -0.681 15.3-173.6 -81.6 126.9 -13.7 -27.9 9.1 19 23 A T + 0 0 0 27,-1.8 2,-0.1 -2,-0.5 -1,-0.1 0.519 38.9 118.4-100.9 -4.8 -11.8 -28.0 5.8 20 24 A Y + 0 0 62 26,-0.2 32,-0.1 27,-0.0 -2,-0.0 -0.410 31.1 168.1 -69.3 137.0 -8.3 -26.9 6.7 21 25 A A - 0 0 2 30,-0.3 9,-0.0 -2,-0.1 -2,-0.0 -0.989 41.3 -93.8-143.3 141.0 -5.5 -29.3 6.0 22 26 A P > - 0 0 25 0, 0.0 3,-2.4 0, 0.0 29,-0.0 -0.119 38.5-107.0 -54.4 153.1 -1.7 -28.6 6.1 23 27 A P T 3 S+ 0 0 82 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.642 116.2 70.4 -56.4 -15.7 0.0 -27.7 2.8 24 28 A E T 3 S+ 0 0 129 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.721 81.9 84.9 -76.3 -22.0 1.6 -31.2 2.9 25 29 A V S < S- 0 0 34 -3,-2.4 5,-0.1 1,-0.1 -4,-0.1 -0.660 94.5-103.2 -84.7 136.0 -1.7 -32.8 2.2 26 30 A P >> - 0 0 66 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.319 22.7-132.3 -57.0 130.8 -2.7 -33.1 -1.5 27 31 A R H 3> S+ 0 0 47 1,-0.3 4,-0.8 2,-0.2 3,-0.5 0.705 104.7 70.7 -60.7 -18.2 -5.3 -30.5 -2.4 28 32 A S H 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.777 87.9 66.8 -68.0 -23.5 -7.3 -33.3 -4.1 29 33 A K H <> S+ 0 0 68 -3,-2.4 4,-2.9 1,-0.2 5,-0.3 0.890 91.9 58.2 -63.5 -39.7 -8.0 -34.5 -0.6 30 34 A A H X S+ 0 0 0 -4,-0.5 4,-1.4 -3,-0.5 -1,-0.2 0.879 108.0 48.1 -57.9 -38.3 -10.1 -31.5 0.3 31 35 A L H X S+ 0 0 41 -4,-0.8 4,-1.5 -3,-0.2 -2,-0.2 0.955 113.1 46.4 -66.6 -51.4 -12.4 -32.4 -2.6 32 36 A E H X S+ 0 0 91 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.924 115.1 44.2 -59.0 -49.4 -12.7 -36.1 -1.6 33 37 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.793 107.2 57.6 -71.5 -27.9 -13.4 -35.5 2.1 34 38 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.880 108.6 48.7 -68.8 -34.2 -15.9 -32.6 1.6 35 39 A K H X S+ 0 0 65 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.947 111.9 48.6 -66.4 -47.3 -17.9 -35.1 -0.5 36 40 A L H X S+ 0 0 25 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.902 110.3 52.3 -58.2 -42.6 -17.6 -37.7 2.2 37 41 A A H X>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 4,-1.4 0.935 111.6 44.7 -60.2 -48.7 -18.6 -35.0 4.8 38 42 A I H <5S+ 0 0 3 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.928 112.9 51.7 -62.1 -44.0 -21.8 -34.1 2.8 39 43 A E H <5S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.859 107.9 53.1 -60.0 -35.3 -22.5 -37.8 2.3 40 44 A A H <5S- 0 0 21 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.785 131.2 -93.3 -70.8 -27.9 -22.2 -38.3 6.0 41 45 A G T <5S+ 0 0 21 -4,-1.4 -3,-0.2 -3,-0.5 2,-0.2 0.353 74.7 144.4 130.9 -4.5 -24.7 -35.6 6.7 42 46 A F < + 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -26,-0.1 -0.464 13.0 167.8 -66.0 132.9 -22.6 -32.4 7.2 43 47 A R + 0 0 71 -28,-0.5 33,-3.4 -2,-0.2 2,-0.5 0.572 58.8 72.1-119.1 -21.2 -24.4 -29.4 5.7 44 48 A H E -cd 16 76B 1 -29,-0.8 -27,-3.0 31,-0.2 2,-0.4 -0.868 64.5-171.9-100.3 124.2 -22.3 -26.6 7.2 45 49 A I E -cd 17 77B 0 31,-3.4 33,-2.4 -2,-0.5 2,-0.6 -0.981 9.1-153.3-124.5 125.5 -18.9 -26.3 5.5 46 50 A D E +cd 18 78B 5 -29,-3.0 -27,-1.8 -2,-0.4 -26,-0.2 -0.856 29.7 143.4-104.7 114.9 -16.1 -24.0 6.8 47 51 A S - 0 0 0 31,-2.5 2,-0.3 -2,-0.6 3,-0.1 -0.637 20.9-168.4-131.3-170.6 -13.5 -22.7 4.4 48 52 A A > > - 0 0 0 31,-0.2 3,-0.8 -2,-0.2 5,-0.5 -0.946 39.7-104.4-176.2 158.2 -11.4 -19.5 3.8 49 53 A H G > 5S+ 0 0 36 31,-1.3 3,-1.4 -2,-0.3 5,-0.2 0.899 117.8 59.6 -58.8 -40.7 -9.1 -17.8 1.4 50 54 A L G 3 5S+ 0 0 59 30,-0.2 -1,-0.2 1,-0.2 74,-0.0 0.788 92.8 67.2 -59.7 -29.6 -6.2 -18.6 3.6 51 55 A Y G < 5S- 0 0 30 -3,-0.8 -30,-0.3 1,-0.1 -1,-0.2 0.601 91.5-140.2 -70.8 -12.6 -6.8 -22.4 3.4 52 56 A N T < 5S+ 0 0 96 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.922 79.2 92.2 51.7 47.4 -6.0 -22.6 -0.4 53 57 A N >< + 0 0 0 -5,-0.5 4,-2.9 -4,-0.1 5,-0.3 0.317 36.6 108.5-149.6 6.0 -8.8 -25.1 -0.9 54 58 A E H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 5,-0.2 0.828 81.9 57.1 -59.6 -30.7 -11.9 -23.1 -1.9 55 59 A E H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.949 112.4 40.1 -63.6 -48.4 -11.6 -24.4 -5.4 56 60 A Q H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.894 115.5 49.8 -69.2 -42.1 -11.8 -28.0 -4.2 57 61 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.897 112.6 47.7 -65.4 -38.8 -14.4 -27.4 -1.5 58 62 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.868 109.6 55.3 -68.0 -34.5 -16.6 -25.6 -4.1 59 63 A L H X S+ 0 0 59 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.903 107.2 48.6 -63.3 -43.7 -15.9 -28.5 -6.5 60 64 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.917 113.0 47.7 -63.6 -43.6 -17.2 -31.1 -3.9 61 65 A I H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.923 112.7 47.9 -63.6 -45.9 -20.4 -29.0 -3.3 62 66 A R H X S+ 0 0 134 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.888 112.3 51.8 -61.6 -39.5 -21.0 -28.6 -7.0 63 67 A S H X S+ 0 0 28 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.881 109.4 47.3 -65.8 -40.5 -20.4 -32.3 -7.4 64 68 A K H <>S+ 0 0 10 -4,-2.3 6,-1.6 2,-0.2 5,-1.1 0.663 110.6 53.3 -77.1 -16.3 -22.9 -33.3 -4.7 65 69 A I H ><5S+ 0 0 48 -4,-1.2 3,-0.6 -3,-0.2 -2,-0.2 0.873 110.8 45.2 -81.5 -41.3 -25.5 -30.9 -6.1 66 70 A A H 3<5S+ 0 0 73 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.844 105.2 64.1 -67.2 -34.2 -25.1 -32.5 -9.6 67 71 A D T 3<5S- 0 0 95 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.792 109.8-126.8 -57.6 -30.8 -25.3 -35.9 -7.7 68 72 A G T < 5S+ 0 0 51 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.468 81.5 117.0 90.4 3.9 -28.8 -34.9 -6.7 69 73 A S S > - 0 0 83 -2,-0.3 3,-2.5 -3,-0.1 4,-0.7 -0.834 35.4-109.3-112.0 152.7 -29.4 -28.6 -3.4 72 76 A R G >4 S+ 0 0 34 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.874 119.2 56.0 -48.1 -44.1 -27.4 -25.4 -3.0 73 77 A E G 34 S+ 0 0 145 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.559 98.7 62.4 -69.1 -7.2 -29.8 -24.0 -0.4 74 78 A D G <4 S+ 0 0 81 -3,-2.5 2,-0.4 2,-0.0 -1,-0.3 0.654 94.3 76.9 -88.6 -18.4 -29.3 -27.1 1.7 75 79 A I << - 0 0 2 -3,-1.4 2,-0.7 -4,-0.7 -31,-0.2 -0.758 65.8-154.9 -98.4 138.1 -25.6 -26.3 2.1 76 80 A F E -d 44 0B 9 -33,-3.4 -31,-3.4 -2,-0.4 2,-0.5 -0.921 20.9-176.1-111.9 103.0 -24.2 -23.6 4.4 77 81 A Y E -d 45 0B 1 -2,-0.7 32,-1.8 -33,-0.2 31,-1.7 -0.874 3.8-172.2-105.4 128.3 -20.9 -22.5 3.0 78 82 A T E +de 46 109B 0 -33,-2.4 -31,-2.5 -2,-0.5 2,-0.3 -0.944 6.1 176.6-122.7 142.3 -18.6 -20.0 4.8 79 83 A S E - e 0 110B 0 30,-2.2 32,-1.8 -2,-0.4 2,-0.4 -0.828 19.5-132.0-129.3 171.1 -15.5 -18.3 3.6 80 84 A K E - e 0 111B 0 -2,-0.3 -31,-1.3 30,-0.2 2,-0.5 -0.985 12.1-123.0-136.3 143.0 -13.3 -15.6 5.3 81 85 A L E - e 0 112B 1 30,-3.6 32,-2.1 -2,-0.4 33,-0.4 -0.683 36.6-128.6 -79.3 120.0 -11.7 -12.4 4.4 82 86 A W > - 0 0 38 -2,-0.5 3,-2.0 30,-0.1 36,-0.1 -0.371 20.5-110.2 -71.5 154.0 -8.0 -12.6 5.0 83 87 A S G > S+ 0 0 2 1,-0.3 35,-2.7 2,-0.1 3,-0.6 0.521 113.1 66.8 -60.3 -11.3 -6.2 -9.9 7.0 84 88 A T G 3 S+ 0 0 0 1,-0.2 37,-0.9 33,-0.2 -1,-0.3 0.395 99.2 53.8 -91.4 2.9 -4.4 -8.4 4.0 85 89 A F G < + 0 0 18 -3,-2.0 -1,-0.2 35,-0.2 -2,-0.1 -0.045 69.6 114.5-124.7 28.3 -7.8 -7.3 2.6 86 90 A H < + 0 0 2 -3,-0.6 5,-0.1 32,-0.3 -1,-0.1 0.794 45.5 100.2 -71.5 -30.1 -9.1 -5.3 5.5 87 91 A R S > S- 0 0 97 1,-0.1 3,-2.7 -3,-0.1 4,-0.5 -0.417 86.1-120.1 -59.9 129.1 -9.0 -2.0 3.7 88 92 A P G >> S+ 0 0 45 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.732 108.7 59.2 -41.1 -37.7 -12.7 -1.4 2.6 89 93 A E G 34 S+ 0 0 118 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.655 104.5 50.9 -73.3 -13.7 -11.9 -1.2 -1.1 90 94 A L G <> S+ 0 0 49 -3,-2.7 4,-1.4 -5,-0.1 -1,-0.2 0.489 91.1 81.6 -99.9 -5.1 -10.4 -4.7 -1.1 91 95 A V H <> S+ 0 0 0 -3,-0.9 4,-2.3 -4,-0.5 3,-0.2 0.976 93.1 39.4 -66.9 -61.4 -13.3 -6.4 0.6 92 96 A R H X S+ 0 0 92 -4,-0.6 4,-3.1 1,-0.2 5,-0.2 0.942 117.0 52.2 -56.4 -48.1 -15.8 -7.0 -2.2 93 97 A P H > S+ 0 0 64 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.835 109.0 50.2 -56.6 -35.6 -13.0 -7.9 -4.6 94 98 A A H X S+ 0 0 14 -4,-1.4 4,-1.7 -3,-0.2 -2,-0.2 0.926 112.6 46.7 -68.4 -44.8 -11.6 -10.5 -2.1 95 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.931 110.1 53.2 -62.2 -45.5 -15.1 -12.0 -1.8 96 100 A E H X S+ 0 0 85 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.859 107.6 52.1 -59.0 -35.6 -15.6 -12.1 -5.5 97 101 A N H X S+ 0 0 69 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.869 109.4 48.3 -69.4 -36.9 -12.4 -14.0 -5.9 98 102 A S H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.914 112.2 49.4 -67.0 -43.4 -13.4 -16.6 -3.4 99 103 A L H X>S+ 0 0 11 -4,-2.5 5,-2.1 1,-0.2 4,-0.7 0.865 111.5 50.1 -61.5 -40.1 -16.8 -16.9 -5.1 100 104 A K H <5S+ 0 0 148 -4,-2.0 3,-0.3 -5,-0.2 -2,-0.2 0.892 111.1 48.1 -67.4 -41.5 -14.9 -17.3 -8.5 101 105 A K H <5S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.945 117.2 41.7 -64.5 -46.8 -12.6 -20.0 -7.1 102 106 A A H <5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.521 103.6-130.4 -78.6 -5.9 -15.5 -21.9 -5.6 103 107 A Q T <5 + 0 0 86 -4,-0.7 2,-0.3 -3,-0.3 -3,-0.2 0.919 61.6 137.2 53.2 47.1 -17.7 -21.4 -8.6 104 108 A L < - 0 0 19 -5,-2.1 -1,-0.2 -6,-0.1 3,-0.1 -0.869 58.5-141.4-121.2 156.0 -20.6 -20.3 -6.3 105 109 A D S S- 0 0 145 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.781 84.8 -0.1 -84.4 -31.3 -23.1 -17.4 -6.7 106 110 A Y - 0 0 37 -7,-0.1 2,-0.4 50,-0.0 -1,-0.2 -0.971 63.6-124.3-153.2 165.8 -23.0 -16.5 -3.0 107 111 A V E - f 0 156B 0 48,-2.3 50,-2.6 -2,-0.3 51,-0.4 -0.903 16.3-142.7-112.4 139.4 -21.4 -17.5 0.3 108 112 A D E S+ 0 0 20 -31,-1.7 50,-0.6 -2,-0.4 2,-0.3 0.842 89.7 14.6 -72.0 -29.5 -23.8 -18.3 3.2 109 113 A L E -ef 78 158B 2 -32,-1.8 -30,-2.2 48,-0.2 2,-0.4 -0.983 63.2-170.3-148.5 130.8 -21.4 -16.6 5.6 110 114 A Y E -ef 79 159B 1 48,-1.9 50,-2.1 -2,-0.3 2,-0.3 -0.984 16.7-169.3-120.6 131.5 -18.5 -14.3 5.1 111 115 A L E -ef 80 160B 0 -32,-1.8 -30,-3.6 -2,-0.4 2,-0.8 -0.896 33.7-119.0-124.2 153.0 -16.2 -13.5 8.0 112 116 A I E -ef 81 161B 0 48,-1.4 50,-1.2 -2,-0.3 -30,-0.1 -0.808 35.5-148.1 -80.3 115.6 -13.4 -11.1 8.9 113 117 A H - 0 0 16 -32,-2.1 -1,-0.2 -2,-0.8 -31,-0.1 0.846 68.0 -9.1 -58.2 -38.0 -10.9 -13.9 9.6 114 118 A S - 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0 0 38 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.894 29.1-110.7-128.7 159.5 -15.4 -41.0 22.0 248 252 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.868 120.1 53.5 -55.4 -35.5 -13.5 -38.1 23.6 249 253 A A H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.922 108.2 48.3 -65.3 -43.5 -14.1 -36.1 20.4 250 254 A L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.842 111.2 51.6 -65.2 -34.4 -17.9 -36.7 20.6 251 255 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.940 110.9 47.2 -66.4 -47.0 -17.8 -35.7 24.2 252 256 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.915 115.4 45.8 -60.4 -44.2 -16.0 -32.4 23.4 253 257 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.928 112.1 49.8 -66.2 -45.7 -18.4 -31.7 20.5 254 258 A R H X S+ 0 0 46 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.837 103.0 62.5 -62.6 -33.5 -21.5 -32.5 22.5 255 259 A Y H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.933 106.1 45.1 -57.0 -47.2 -20.3 -30.2 25.3 256 260 A Q H ><>S+ 0 0 0 -4,-1.3 5,-3.0 -3,-0.3 3,-0.9 0.932 110.2 53.0 -65.0 -46.3 -20.4 -27.3 22.9 257 261 A L H ><5S+ 0 0 27 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.909 109.0 50.0 -56.1 -43.7 -23.9 -28.1 21.5 258 262 A Q H 3<5S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.666 109.7 50.8 -72.2 -15.9 -25.4 -28.3 25.0 259 263 A R T <<5S- 0 0 26 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.215 123.8-101.0-104.2 14.3 -23.9 -24.9 26.0 260 264 A G T < 5S+ 0 0 52 -3,-1.3 2,-0.4 1,-0.2 -51,-0.4 0.710 77.6 136.3 77.7 21.8 -25.3 -23.2 22.9 261 265 A V < - 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0 0 41 -2,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.889 32.3-106.7-130.2 160.3 4.2 -37.8 60.3 568 252 B P H > S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.914 119.8 55.5 -51.3 -44.3 6.7 -35.1 61.3 569 253 B A H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.885 107.1 47.9 -56.4 -44.6 4.9 -32.6 58.9 570 254 B L H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.856 110.6 51.9 -67.3 -35.2 1.5 -33.2 60.5 571 255 B I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.949 108.7 50.2 -65.8 -47.6 2.9 -32.7 64.0 572 256 B A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.856 113.8 46.2 -57.8 -37.1 4.6 -29.4 63.1 573 257 B L H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.910 111.4 50.1 -72.4 -44.9 1.3 -28.2 61.6 574 258 B R H X S+ 0 0 35 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.895 104.5 60.7 -59.0 -43.2 -0.8 -29.3 64.6 575 259 B Y H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.927 106.8 44.7 -50.6 -51.3 1.6 -27.6 66.9 576 260 B Q H ><>S+ 0 0 0 -4,-1.3 5,-2.9 1,-0.2 3,-0.8 0.933 111.3 52.4 -62.0 -47.6 0.9 -24.2 65.2 577 261 B L H ><5S+ 0 0 27 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.917 109.7 49.7 -56.0 -42.8 -2.9 -24.7 65.2 578 262 B Q H 3<5S+ 0 0 67 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.684 109.5 50.7 -72.7 -17.5 -2.9 -25.5 68.9 579 263 B R T <<5S- 0 0 39 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.248 124.0-102.3-100.9 11.9 -0.8 -22.4 69.8 580 264 B G T < 5S+ 0 0 58 -3,-1.3 2,-0.5 1,-0.3 -51,-0.4 0.613 77.6 136.9 80.4 13.9 -3.3 -20.2 67.8 581 265 B V < - 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0 0 19 -3,-0.5 2,-0.3 -4,-0.3 -38,-0.0 -0.946 62.8-137.1-157.1 175.2 -5.8 -35.4 65.9 603 287 B Q - 0 0 136 -2,-0.3 2,-0.3 -39,-0.0 -28,-0.1 -0.978 15.7-125.4-143.0 155.1 -4.4 -33.3 68.7 604 288 B L - 0 0 8 -2,-0.3 2,-0.0 -30,-0.1 -44,-0.0 -0.698 32.3-114.7 -96.8 149.6 -1.2 -33.1 70.7 605 289 B T > - 0 0 49 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.312 28.8-105.9 -78.1 168.5 -1.2 -33.2 74.5 606 290 B A H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.914 127.3 49.1 -59.3 -41.7 -0.2 -30.2 76.6 607 291 B E H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.831 108.5 54.5 -67.1 -30.7 3.0 -32.1 77.4 608 292 B D H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.927 107.3 49.7 -65.6 -46.9 3.4 -32.7 73.6 609 293 B M H X S+ 0 0 24 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 109.6 51.4 -59.5 -42.6 3.2 -29.0 73.0 610 294 B K H X S+ 0 0 154 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.874 106.0 55.1 -63.6 -37.4 5.8 -28.3 75.6 611 295 B A H < S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.913 111.4 44.0 -61.9 -43.3 8.1 -30.9 74.0 612 296 B I H >< S+ 0 0 0 -4,-1.9 3,-2.3 1,-0.2 4,-0.3 0.886 107.3 58.8 -69.0 -40.2 7.9 -29.1 70.7 613 297 B D H >< S+ 0 0 65 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.884 97.1 64.2 -54.7 -37.8 8.3 -25.7 72.4 614 298 B G T 3< S+ 0 0 59 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.559 88.1 71.1 -64.1 -7.8 11.6 -27.0 73.6 615 299 B L T < + 0 0 6 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.643 65.7 126.0 -83.6 -17.3 12.8 -27.2 70.0 616 300 B D < + 0 0 51 -3,-1.7 -104,-0.2 -4,-0.3 -103,-0.2 -0.172 18.6 156.1 -48.9 123.4 13.1 -23.4 69.6 617 301 B R - 0 0 131 -105,-1.3 -104,-0.2 2,-0.1 -1,-0.2 0.229 57.2-115.6-133.2 8.0 16.6 -22.5 68.3 618 302 B N + 0 0 85 1,-0.2 2,-0.6 -106,-0.2 -105,-0.3 0.895 56.8 165.5 54.9 43.8 15.9 -19.2 66.6 619 303 B L - 0 0 36 -107,-2.9 2,-0.6 -71,-0.0 -1,-0.2 -0.831 25.9-157.7 -98.8 122.0 16.9 -20.7 63.3 620 304 B H - 0 0 57 -2,-0.6 -107,-0.0 1,-0.2 4,-0.0 -0.853 4.5-165.5 -96.6 123.3 16.0 -18.8 60.1 621 305 B Y S S+ 0 0 0 -2,-0.6 2,-0.4 -77,-0.1 -76,-0.2 0.900 71.9 76.8 -75.0 -39.7 15.9 -21.0 57.0 622 306 B F S S- 0 0 77 -78,-0.1 2,-1.3 1,-0.1 -2,-0.0 -0.575 78.8-140.6 -74.9 127.4 15.9 -18.0 54.6 623 307 B N + 0 0 47 -2,-0.4 3,-0.4 1,-0.1 -1,-0.1 -0.701 33.8 162.6 -90.3 87.8 19.3 -16.5 54.2 624 308 B S > + 0 0 4 -2,-1.3 3,-1.6 1,-0.2 4,-0.3 0.059 31.5 123.4 -93.7 24.1 18.5 -12.8 54.1 625 309 B D G > + 0 0 113 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.808 67.9 59.6 -54.2 -34.0 22.1 -11.8 54.9 626 310 B S G 3 S+ 0 0 85 -3,-0.4 3,-0.3 1,-0.2 -1,-0.3 0.716 104.8 48.3 -70.1 -22.3 22.3 -9.7 51.7 627 311 B F G X S+ 0 0 45 -3,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.312 78.3 102.8-100.4 7.5 19.4 -7.4 52.7 628 312 B A T < S+ 0 0 51 -3,-1.0 5,-0.2 -4,-0.3 -1,-0.2 0.826 78.0 57.6 -58.4 -32.7 20.7 -6.8 56.2 629 313 B S T 3 S+ 0 0 94 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.795 79.9 108.1 -69.5 -29.1 21.9 -3.4 55.0 630 314 B H S X S- 0 0 4 -3,-0.9 3,-2.3 1,-0.2 -3,-0.0 -0.256 76.4-130.6 -52.6 128.7 18.3 -2.4 54.0 631 315 B P T 3 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -195,-0.1 0.811 107.3 51.7 -51.2 -33.2 17.0 0.2 56.5 632 316 B N T 3 S+ 0 0 27 -195,-0.1 -2,-0.1 -5,-0.1 -196,-0.1 0.124 73.0 146.0 -94.7 21.0 13.8 -1.8 56.9 633 317 B Y X - 0 0 28 -3,-2.3 3,-0.7 -5,-0.2 4,-0.2 -0.422 35.6-158.9 -58.6 119.9 15.6 -5.1 57.6 634 318 B P G > S+ 0 0 12 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.621 79.3 66.1 -80.0 -13.5 13.2 -6.8 60.1 635 319 B Y G 3 S+ 0 0 47 1,-0.2 -2,-0.1 -11,-0.1 -7,-0.0 0.184 76.2 85.0 -95.2 17.6 15.7 -9.2 61.7 636 320 B S G < S+ 0 0 78 -3,-0.7 -1,-0.2 -8,-0.0 2,-0.1 0.737 82.9 68.4 -86.6 -24.7 17.8 -6.6 63.4 637 321 B D S < S- 0 0 46 -3,-0.5 0, 0.0 -4,-0.2 0, 0.0 -0.438 96.5-109.1 -90.0 166.3 15.5 -6.4 66.4 638 322 B E 0 0 135 1,-0.1 -121,-0.1 -2,-0.1 -1,-0.1 0.865 360.0 360.0 -61.1 -35.8 15.0 -9.1 69.0 639 323 B Y 0 0 61 -122,-0.1 -153,-1.5 -121,-0.1 -1,-0.1 0.210 360.0 360.0-172.8 360.0 11.6 -9.6 67.5