==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-08 3C6C . COMPND 2 MOLECULE: 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 1 0 2 0 0 1 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 . 0 5 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 1 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 2 A S 0 0 116 0, 0.0 277,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 95.2 39.6 64.0 45.2 2 3 A R - 0 0 76 275,-0.1 277,-1.8 1,-0.1 2,-0.7 -0.404 360.0-123.7 -62.5 145.8 39.8 60.8 47.2 3 4 A K E -a 279 0A 44 275,-0.2 2,-0.5 277,-0.1 277,-0.2 -0.878 26.6-150.5 -93.8 115.5 40.0 57.6 45.2 4 5 A V E -a 280 0A 0 275,-3.4 277,-2.6 -2,-0.7 2,-0.4 -0.740 9.5-131.5 -92.9 125.8 37.2 55.4 46.2 5 6 A I - 0 0 7 -2,-0.5 239,-2.8 275,-0.2 2,-0.5 -0.665 23.7-162.8 -76.7 126.8 37.6 51.6 45.9 6 7 A L E -b 244 0B 0 -2,-0.4 37,-2.6 275,-0.4 38,-1.9 -0.971 4.4-166.4-118.3 120.9 34.7 50.0 44.2 7 8 A T E -bc 245 44B 8 237,-2.3 239,-2.3 -2,-0.5 2,-0.6 -0.874 8.5-151.3-101.8 132.0 34.0 46.3 44.4 8 9 A C E -bc 246 45B 0 36,-2.8 38,-2.4 -2,-0.4 2,-1.0 -0.956 1.8-156.9-106.9 114.8 31.6 44.6 42.1 9 10 A A E - c 0 46B 0 237,-3.1 240,-2.3 -2,-0.6 241,-0.4 -0.829 16.7-168.2 -89.7 98.0 29.9 41.5 43.6 10 11 A V - 0 0 0 36,-1.6 238,-0.2 -2,-1.0 -1,-0.1 0.682 60.7 -19.1 -78.7 -22.8 29.1 39.9 40.4 11 12 A T - 0 0 1 35,-0.4 3,-0.3 237,-0.1 -1,-0.1 0.533 68.7-171.0-150.2 -43.7 26.7 37.0 41.2 12 13 A G - 0 0 1 34,-0.2 36,-0.1 1,-0.2 238,-0.1 -0.145 42.4 -85.6 69.2-164.0 26.6 35.7 44.8 13 14 A N S S+ 0 0 47 236,-0.2 44,-0.2 44,-0.1 -1,-0.2 0.269 78.0 125.2-130.5 8.3 24.8 32.6 45.9 14 15 A A S S- 0 0 41 -3,-0.3 3,-0.1 235,-0.2 122,-0.0 -0.372 81.3 -69.1 -59.7 148.1 21.2 33.9 46.6 15 16 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.067 55.6-106.8 -46.0 135.6 18.7 31.8 44.6 16 17 A F - 0 0 73 38,-0.2 40,-0.0 39,-0.2 9,-0.0 -0.476 24.5-154.5 -65.4 124.5 18.8 32.2 40.8 17 18 A N > - 0 0 53 -2,-0.3 3,-2.4 1,-0.1 6,-0.2 -0.896 4.4-160.0 -99.9 100.3 15.8 34.3 39.5 18 19 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.547 82.7 76.5 -69.4 -4.0 15.5 33.0 35.9 19 20 A K T 3 S+ 0 0 170 2,-0.0 240,-0.1 3,-0.0 -3,-0.0 0.773 76.5 87.4 -68.7 -23.8 13.5 36.1 34.9 20 21 A H S X S- 0 0 4 -3,-2.4 3,-1.0 1,-0.1 -3,-0.0 -0.661 74.3-157.3 -76.3 112.6 16.9 37.8 35.0 21 22 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.503 81.9 33.6 -81.3 -3.5 18.0 37.1 31.4 22 23 A S T 3 S+ 0 0 65 238,-0.2 -2,-0.0 2,-0.0 -3,-0.0 0.059 72.8 153.6-138.0 25.9 21.8 37.5 31.9 23 24 A X < - 0 0 15 -3,-1.0 2,-0.6 -6,-0.2 -12,-0.1 -0.368 51.8-115.4 -57.9 128.7 22.4 36.2 35.5 24 25 A P + 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.594 56.4 146.2 -73.9 115.1 26.1 34.9 35.6 25 26 A I + 0 0 14 -2,-0.6 25,-0.6 27,-0.1 30,-0.1 0.790 48.9 58.9-113.0 -53.7 25.8 31.2 36.3 26 27 A T S > S- 0 0 42 26,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.402 89.9-109.2 -76.7 159.2 28.7 29.3 34.6 27 28 A P H > S+ 0 0 7 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.867 121.4 53.6 -57.5 -32.3 32.3 30.1 35.4 28 29 A A H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.912 110.3 46.1 -67.5 -42.2 32.6 31.7 31.9 29 30 A Q H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 113.3 50.0 -67.2 -37.4 29.6 34.0 32.6 30 31 A I H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.929 112.7 45.6 -70.1 -43.1 31.0 34.9 36.0 31 32 A A H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.921 110.9 53.9 -61.9 -45.4 34.4 35.7 34.6 32 33 A D H X S+ 0 0 110 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.897 107.4 51.8 -57.0 -37.9 32.8 37.7 31.8 33 34 A A H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.862 107.4 52.1 -69.7 -36.5 30.9 39.7 34.5 34 35 A C H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.902 111.7 46.6 -63.5 -42.8 34.2 40.5 36.3 35 36 A V H X S+ 0 0 18 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.907 111.1 51.3 -67.0 -42.9 35.6 41.8 33.0 36 37 A E H X S+ 0 0 78 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.912 111.2 48.5 -58.2 -44.9 32.5 43.8 32.3 37 38 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.6 0.936 111.2 50.6 -62.3 -44.1 32.7 45.3 35.8 38 39 A A H ><5S+ 0 0 15 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.924 108.0 51.9 -58.8 -46.5 36.4 46.1 35.3 39 40 A K H 3<5S+ 0 0 157 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 106.6 54.0 -65.6 -26.9 35.8 47.8 32.0 40 41 A A H 3<5S- 0 0 22 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.564 133.7 -89.6 -82.3 -9.8 33.1 50.0 33.6 41 42 A G T <<5 + 0 0 18 -3,-1.5 -3,-0.2 -4,-0.6 -35,-0.2 0.429 69.3 157.5 117.6 6.9 35.7 51.0 36.2 42 43 A A < - 0 0 1 -5,-2.4 -1,-0.2 -6,-0.1 -35,-0.2 -0.327 29.0-158.7 -64.2 141.8 35.5 48.5 39.1 43 44 A S S S+ 0 0 0 -37,-2.6 36,-1.9 1,-0.3 2,-0.3 0.794 75.3 19.2 -84.6 -37.7 38.6 48.2 41.3 44 45 A V E -cd 7 79B 1 -38,-1.9 -36,-2.8 34,-0.2 2,-0.5 -0.976 63.9-143.7-139.7 144.7 37.8 44.7 42.7 45 46 A A E -cd 8 80B 0 34,-2.6 36,-2.7 -2,-0.3 2,-0.6 -0.978 11.4-152.8-113.3 122.8 35.6 41.8 41.7 46 47 A H E -cd 9 81B 4 -38,-2.4 -36,-1.6 -2,-0.5 -35,-0.4 -0.871 24.1-158.9 -96.6 120.9 33.9 39.8 44.5 47 48 A I E + d 0 82B 0 34,-2.7 36,-2.6 -2,-0.6 2,-0.3 -0.877 25.5 165.9-119.5 127.6 33.3 36.2 43.2 48 49 A H - 0 0 20 -2,-0.4 2,-0.3 34,-0.2 11,-0.1 -0.838 26.9-135.5-115.2 165.2 31.1 33.3 44.1 49 50 A V E -J 58 0C 0 9,-0.6 9,-1.0 -2,-0.3 2,-0.3 -0.874 13.8-154.3-120.0 155.7 30.5 30.3 42.0 50 51 A R E -J 57 0C 4 -25,-0.6 7,-0.2 -2,-0.3 6,-0.1 -0.908 38.0 -87.1-125.3 153.5 27.2 28.5 41.2 51 52 A D > - 0 0 54 5,-3.3 4,-3.2 -2,-0.3 5,-0.3 -0.549 43.4-138.8 -60.4 116.7 26.3 25.0 40.2 52 53 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -26,-0.1 0.625 97.1 43.2 -66.3 -14.1 26.8 25.5 36.5 53 54 A K T 4 S+ 0 0 187 -28,-0.1 -27,-0.1 3,-0.0 -2,-0.0 0.940 126.2 22.4 -81.4 -74.9 23.7 23.5 35.9 54 55 A T T 4 S- 0 0 92 1,-0.1 -38,-0.2 3,-0.1 3,-0.1 0.446 89.8-125.4 -83.3 -13.2 21.1 24.7 38.4 55 56 A G < + 0 0 1 -4,-3.2 -39,-0.2 1,-0.2 3,-0.1 0.492 68.5 135.6 73.5 2.5 22.4 28.1 39.3 56 57 A G - 0 0 24 -5,-0.3 -5,-3.3 1,-0.2 -1,-0.2 -0.126 63.7 -63.7 -70.5 170.7 22.3 27.0 42.9 57 58 A G E +J 50 0C 56 -7,-0.2 2,-0.3 -44,-0.2 -7,-0.2 -0.201 57.3 171.7 -59.7 142.6 25.0 27.5 45.5 58 59 A S E -J 49 0C 29 -9,-1.0 -9,-0.6 -3,-0.1 28,-0.1 -0.990 32.8-176.9-149.4 151.2 28.4 25.9 45.1 59 60 A R + 0 0 55 -2,-0.3 56,-0.2 -11,-0.1 -9,-0.1 0.049 35.3 150.5-128.7 25.4 31.8 26.0 46.7 60 61 A D >> - 0 0 68 1,-0.2 4,-1.7 2,-0.1 3,-0.9 -0.402 39.8-150.2 -61.8 115.6 33.5 23.6 44.1 61 62 A P H 3> S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.788 95.1 62.5 -59.8 -27.5 37.2 24.7 44.0 62 63 A V H 3> S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.892 104.1 47.1 -64.4 -37.9 37.3 23.5 40.4 63 64 A L H <> S+ 0 0 15 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.904 110.4 51.7 -71.4 -41.5 34.8 26.2 39.5 64 65 A F H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.928 109.3 51.4 -59.3 -45.5 36.6 28.9 41.4 65 66 A K H X S+ 0 0 79 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.890 108.2 51.3 -61.6 -39.5 39.8 28.0 39.6 66 67 A E H X S+ 0 0 63 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.926 110.2 49.6 -65.2 -41.7 38.1 28.2 36.2 67 68 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.959 114.1 43.9 -62.3 -48.2 36.8 31.7 37.0 68 69 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.888 112.8 52.2 -67.4 -38.1 40.2 33.0 38.2 69 70 A D H X S+ 0 0 68 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.908 111.8 47.7 -63.4 -42.4 42.0 31.4 35.2 70 71 A R H < S+ 0 0 111 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.912 113.8 44.6 -63.9 -46.4 39.5 33.1 32.8 71 72 A V H ><>S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.2 5,-0.5 0.948 112.9 51.8 -67.2 -43.6 39.7 36.6 34.4 72 73 A R H 3<5S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.3 3,-0.2 0.712 114.7 42.4 -66.4 -21.1 43.5 36.4 34.6 73 74 A S T 3<5S+ 0 0 98 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.224 90.7 92.0-107.9 11.6 43.7 35.5 30.9 74 75 A S T < 5S- 0 0 50 -3,-1.7 -2,-0.1 2,-0.3 -1,-0.1 0.662 95.9-118.7 -81.0 -21.8 41.1 37.9 29.8 75 76 A G T 5S+ 0 0 79 -4,-0.3 2,-0.4 1,-0.3 -3,-0.1 0.400 86.0 101.3 89.7 2.4 43.5 40.8 29.1 76 77 A T < - 0 0 38 -5,-0.5 -2,-0.3 2,-0.0 2,-0.3 -0.972 63.4-143.3-121.1 130.8 41.7 42.9 31.7 77 78 A D + 0 0 84 -2,-0.4 2,-0.3 -3,-0.1 207,-0.1 -0.704 29.4 150.3 -95.6 143.4 43.1 43.4 35.2 78 79 A I - 0 0 6 -2,-0.3 2,-0.2 205,-0.1 -34,-0.2 -0.903 49.4-101.7-164.1 144.2 41.0 43.6 38.4 79 80 A V E -d 44 0B 0 -36,-1.9 -34,-2.6 -2,-0.3 2,-0.5 -0.555 41.1-134.0 -70.1 133.6 41.8 42.7 42.0 80 81 A L E -d 45 0B 5 -2,-0.2 43,-2.1 -36,-0.2 42,-0.5 -0.835 23.0-177.0 -98.7 131.0 40.1 39.4 42.9 81 82 A N E -de 46 123B 0 -36,-2.7 -34,-2.7 -2,-0.5 2,-0.4 -0.954 12.3-162.1-125.1 102.2 38.1 38.9 46.1 82 83 A L E -de 47 124B 0 41,-2.0 43,-2.0 -2,-0.5 -34,-0.2 -0.732 23.6-112.0 -89.8 136.5 36.9 35.3 46.5 83 84 A T E + e 0 125B 9 -36,-2.6 43,-0.1 -2,-0.4 -1,-0.1 -0.394 35.3 170.5 -60.9 138.2 34.1 34.5 48.9 84 85 A C + 0 0 2 41,-1.0 43,-0.2 -2,-0.1 -1,-0.1 -0.048 51.0 105.6-134.9 28.8 35.2 32.4 51.9 85 86 A G + 0 0 11 41,-0.1 3,-0.4 2,-0.0 41,-0.1 0.543 58.6 113.3 -79.2 -12.2 31.8 32.8 53.7 86 87 A L + 0 0 26 1,-0.2 21,-0.1 26,-0.1 -27,-0.0 -0.113 58.4 33.4 -62.0 151.6 31.2 29.2 52.7 87 88 A G S S+ 0 0 4 19,-0.1 20,-1.8 1,-0.1 -1,-0.2 0.751 85.9 97.4 76.8 28.0 30.9 26.2 55.1 88 89 A A E +K 106 0D 1 -3,-0.4 55,-2.8 18,-0.2 2,-0.8 -0.001 47.6 131.1-128.0 19.7 29.3 28.0 58.1 89 90 A F E -KL 105 142D 52 16,-2.1 16,-3.0 53,-0.2 2,-0.5 -0.723 32.2-179.5 -92.8 106.4 25.8 27.1 57.3 90 91 A L E - L 0 141D 32 51,-2.6 51,-2.6 -2,-0.8 10,-0.0 -0.915 16.6-178.0-114.5 129.0 23.9 25.6 60.3 91 92 A L - 0 0 30 -2,-0.5 10,-2.9 10,-0.3 13,-0.2 -0.865 24.3-144.2-122.4 90.9 20.3 24.4 60.5 92 93 A P E -N 100 0E 33 0, 0.0 8,-0.2 0, 0.0 5,-0.2 -0.321 22.7-111.6 -60.0 136.9 19.6 23.3 64.0 93 94 A D E > -N 96 0E 41 6,-3.7 3,-1.6 3,-0.6 6,-0.3 -0.526 19.9-144.7 -66.5 119.2 17.3 20.2 64.3 94 95 A P T 3 S+ 0 0 93 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.756 100.0 56.1 -62.1 -17.8 14.0 21.5 65.7 95 96 A E T 3 S+ 0 0 168 1,-0.3 2,-0.1 4,-0.1 -2,-0.1 0.668 133.5 3.7 -85.2 -17.6 13.6 18.3 67.6 96 97 A D E X -N 93 0E 62 -3,-1.6 3,-2.5 3,-0.2 -3,-0.6 -0.568 65.2-163.9-171.4 94.1 16.9 18.8 69.2 97 98 A E E 3 S+ 0 0 143 1,-0.3 4,-0.1 -3,-0.3 -2,-0.0 0.558 85.5 75.1 -71.1 -5.4 18.7 22.0 68.5 98 99 A S E 3 S+ 0 0 98 -5,-0.1 2,-0.4 -6,-0.1 -1,-0.3 0.676 93.1 71.1 -72.9 -15.3 22.0 20.6 69.8 99 100 A K E < S- 0 0 118 -3,-2.5 -6,-3.7 -6,-0.3 2,-0.5 -0.855 80.2-132.4-111.9 138.4 22.0 18.6 66.5 100 101 A A E -N 92 0E 60 -2,-0.4 -2,-0.1 -8,-0.2 -3,-0.0 -0.727 24.3-122.6 -87.4 125.4 22.6 19.9 63.0 101 102 A L > - 0 0 58 -10,-2.9 3,-2.3 -2,-0.5 -10,-0.3 -0.326 30.0-109.1 -60.2 150.6 20.2 18.8 60.2 102 103 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.772 115.9 66.6 -57.1 -29.3 21.8 17.0 57.3 103 104 A E T 3 S+ 0 0 98 -12,-0.1 -2,-0.1 2,-0.1 -14,-0.0 0.520 80.2 110.3 -71.9 -3.6 21.3 20.0 55.0 104 105 A S < - 0 0 24 -3,-2.3 2,-0.2 -13,-0.2 -14,-0.2 -0.345 56.4-157.8 -67.2 151.6 23.7 21.9 57.2 105 106 A D E +K 89 0D 53 -16,-3.0 -16,-2.1 2,-0.0 2,-0.6 -0.674 31.0 148.8-133.4 80.6 27.1 22.7 55.6 106 107 A V E +K 88 0D 66 -18,-0.2 -18,-0.2 -2,-0.2 -19,-0.1 -0.944 23.3 172.5-113.8 109.3 29.5 23.3 58.5 107 108 A V - 0 0 20 -20,-1.8 -2,-0.0 -2,-0.6 5,-0.0 -0.812 31.4 -91.9-126.4 158.3 33.0 22.3 57.4 108 109 A P >> - 0 0 88 0, 0.0 4,-2.6 0, 0.0 3,-0.6 -0.173 36.5-108.1 -69.3 161.8 36.5 22.4 58.7 109 110 A V H 3> S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.883 115.6 57.7 -50.8 -45.8 39.0 25.2 58.1 110 111 A A H 34 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.875 112.6 40.1 -62.5 -36.6 41.2 23.0 55.8 111 112 A E H X4 S+ 0 0 94 -3,-0.6 3,-1.3 1,-0.2 4,-0.4 0.895 110.6 58.7 -77.7 -37.4 38.3 22.4 53.5 112 113 A R H 3< S+ 0 0 6 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.825 110.9 41.9 -59.3 -30.2 37.0 25.9 53.7 113 114 A V T 3X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 3,-0.5 0.406 82.1 102.9-103.6 3.0 40.3 27.3 52.4 114 115 A K H <> S+ 0 0 82 -3,-1.3 4,-1.8 1,-0.2 5,-0.2 0.917 83.0 48.4 -54.5 -46.7 40.9 24.7 49.6 115 116 A H H > S+ 0 0 3 -4,-0.4 4,-2.2 -3,-0.2 5,-0.3 0.843 109.3 53.9 -64.4 -29.8 39.8 27.1 46.8 116 117 A L H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.894 106.2 51.9 -72.1 -38.0 42.0 29.9 48.2 117 118 A E H < S+ 0 0 70 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.885 115.7 42.1 -62.2 -39.3 45.0 27.6 48.2 118 119 A D H < S+ 0 0 65 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.849 125.3 31.4 -78.8 -37.6 44.4 26.8 44.5 119 120 A C H < S- 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.728 79.5-156.7 -99.7 -27.8 43.5 30.2 43.3 120 121 A L < - 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0 0 29 4,-0.5 3,-2.8 -3,-0.2 2,-0.4 -0.725 64.1 -87.9 -84.8 138.1 20.6 41.7 56.2 198 199 A L T 3 S+ 0 0 79 -64,-0.4 -64,-1.9 -2,-0.4 3,-0.1 -0.778 110.1 13.6 -86.0 133.1 18.3 40.2 58.8 199 200 A W T 3 S+ 0 0 158 -2,-0.4 -1,-0.3 -66,-0.3 -67,-0.2 -0.399 115.4 82.2-113.4 62.7 19.1 39.9 61.7 200 201 A G S < S- 0 0 31 -3,-2.8 -31,-0.2 1,-0.2 -1,-0.2 -0.310 90.0 -45.0-103.4-167.2 22.0 42.3 61.4 201 202 A A - 0 0 12 -33,-2.2 -5,-2.7 -7,-0.3 -4,-0.5 -0.376 64.7-117.8 -67.9 138.5 22.6 46.1 61.5 202 203 A P - 0 0 77 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.275 23.7-100.3 -78.2 163.1 20.2 48.1 59.3 203 204 A A S S+ 0 0 24 -8,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.611 72.4 125.9 -82.1 83.6 20.9 50.2 56.3 204 205 A S > - 0 0 33 -2,-1.6 4,-2.1 1,-0.1 5,-0.1 -0.978 68.7-122.5-137.3 156.1 20.8 53.7 57.8 205 206 A T H > S+ 0 0 48 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.903 115.1 55.8 -58.2 -39.1 23.2 56.6 57.8 206 207 A E H > S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 106.6 49.5 -64.0 -38.9 23.1 56.5 61.6 207 208 A T H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.935 111.2 49.1 -65.7 -45.7 24.2 52.9 61.6 208 209 A X H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.914 112.7 46.3 -63.3 -43.2 27.1 53.6 59.2 209 210 A I H X S+ 0 0 64 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.925 114.4 48.2 -64.5 -45.4 28.4 56.6 61.2 210 211 A Y H < S+ 0 0 123 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.946 116.2 41.6 -62.0 -49.5 28.2 54.7 64.5 211 212 A Q H >X S+ 0 0 2 -4,-2.6 3,-1.4 1,-0.2 4,-0.6 0.862 109.4 59.5 -69.8 -35.8 29.9 51.6 63.2 212 213 A R H >< S+ 0 0 75 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.904 98.6 58.7 -58.7 -39.0 32.5 53.6 61.3 213 214 A N T 3< S+ 0 0 107 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.655 102.2 54.6 -71.3 -12.4 33.6 55.3 64.5 214 215 A L T <4 S+ 0 0 42 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.569 88.1 97.5 -90.1 -15.9 34.5 51.8 66.0 215 216 A I S << S- 0 0 17 -3,-1.4 6,-0.1 -4,-0.6 -41,-0.0 -0.547 88.3 -98.5 -78.4 135.9 36.7 50.9 63.1 216 217 A P > - 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0 0 67 -31,-0.5 3,-2.3 -2,-0.3 25,-0.2 -0.779 66.9 -28.3-110.2 146.1 20.9 45.2 49.3 227 228 A G G > S+ 0 0 22 23,-2.9 3,-1.9 -2,-0.3 4,-0.4 -0.225 134.1 6.3 54.9-124.2 18.2 45.9 46.7 228 229 A R G 3 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.660 131.2 59.9 -67.5 -15.6 16.8 49.4 46.8 229 230 A D G <> S+ 0 0 71 -3,-2.3 4,-2.3 1,-0.2 5,-0.3 0.515 80.1 89.1 -87.7 -1.9 19.4 50.3 49.5 230 231 A Q H <> S+ 0 0 1 -3,-1.9 4,-1.9 2,-0.2 -5,-0.3 0.950 92.5 37.3 -62.1 -55.3 22.3 49.5 47.2 231 232 A X H > S+ 0 0 40 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.935 117.0 50.8 -68.4 -45.9 22.8 52.9 45.6 232 233 A P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.922 112.8 46.6 -54.2 -44.7 21.9 55.0 48.8 233 234 A X H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.879 110.3 53.7 -70.8 -33.0 24.4 53.0 50.9 234 235 A X H X S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.954 112.3 43.4 -59.9 -49.8 27.1 53.4 48.2 235 236 A A H X S+ 0 0 24 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 113.4 52.4 -64.8 -39.1 26.7 57.2 48.1 236 237 A Q H X S+ 0 0 36 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.917 109.8 48.1 -67.9 -39.6 26.6 57.3 51.9 237 238 A A H >X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-0.8 0.945 110.9 51.0 -63.9 -46.9 29.8 55.3 52.3 238 239 A A H ><5S+ 0 0 3 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.915 109.5 51.6 -56.0 -43.4 31.5 57.5 49.7 239 240 A L H 3<5S+ 0 0 108 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.752 110.7 47.9 -66.2 -24.5 30.4 60.6 51.6 240 241 A L H <<5S- 0 0 35 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.325 123.6 -96.6-103.4 3.8 31.8 59.3 54.9 241 242 A G T <<5S+ 0 0 32 -3,-1.1 -20,-0.3 -4,-0.5 -3,-0.2 0.525 83.2 126.9 90.6 11.2 35.2 58.2 53.6 242 243 A G < - 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -20,-0.3 -0.413 58.6-113.2 -91.8 165.6 34.4 54.6 53.0 243 244 A N B -i 222 0B 10 -22,-3.1 -20,-1.2 -2,-0.1 2,-0.3 -0.458 35.7-131.6 -91.3 173.8 34.8 52.4 50.0 244 245 A V E -b 6 0B 1 -239,-2.8 -237,-2.3 -22,-0.2 2,-0.3 -0.814 15.0-158.8-135.0 165.1 31.9 50.9 48.1 245 246 A R E +b 7 0B 8 -22,-0.5 -20,-0.3 -2,-0.3 2,-0.2 -0.993 14.2 162.1-149.7 134.5 30.3 47.9 46.6 246 247 A V E +b 8 0B 0 -239,-2.3 -237,-3.1 -2,-0.3 2,-0.2 -0.773 18.8 113.5-132.1-175.8 27.6 47.2 44.0 247 248 A G S >> S- 0 0 0 -239,-0.3 3,-1.6 -2,-0.2 4,-1.2 -0.470 72.2 -75.2 130.7 163.4 26.6 44.2 41.9 248 249 A L T 34 S+ 0 0 5 1,-0.3 -238,-0.2 -238,-0.2 -1,-0.1 0.637 116.3 72.6 -67.9 -17.5 24.0 41.5 41.1 249 250 A E T 34 S+ 0 0 40 -240,-2.3 -1,-0.3 1,-0.2 -235,-0.2 0.844 113.4 26.3 -58.9 -32.8 25.0 39.6 44.3 250 251 A D T <4 S+ 0 0 11 -3,-1.6 -23,-2.9 -241,-0.4 2,-0.3 0.627 133.9 13.9-109.5 -21.1 23.2 42.4 46.2 251 252 A N < - 0 0 19 -4,-1.2 -1,-0.3 -25,-0.2 -4,-0.1 -0.901 45.8-165.3-164.6 126.6 20.6 43.8 43.8 252 253 A L + 0 0 36 -2,-0.3 8,-2.7 -3,-0.1 2,-0.4 0.583 66.4 84.4 -88.1 -12.5 19.1 42.6 40.5 253 254 A Y E -O 259 0F 94 6,-0.3 6,-0.3 1,-0.2 3,-0.1 -0.799 45.8-172.7-114.1 134.8 17.5 45.9 39.4 254 255 A L E S- 0 0 41 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.878 88.9 -20.7 -79.4 -40.9 18.6 49.0 37.6 255 256 A S E > S-O 258 0F 60 3,-1.3 3,-2.7 -3,-0.1 -1,-0.3 -0.906 104.6 -40.5-153.8-179.0 15.3 50.5 38.4 256 257 A R T 3 S- 0 0 103 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.274 128.3 -7.9 -57.5 118.6 11.8 49.4 39.3 257 258 A G T 3 S+ 0 0 73 1,-0.1 2,-0.5 -2,-0.1 -1,-0.3 0.512 111.7 108.7 73.7 6.9 11.0 46.4 37.2 258 259 A V E < -O 255 0F 68 -3,-2.7 -4,-2.6 0, 0.0 -3,-1.3 -0.961 63.2-135.9-120.6 117.7 14.1 46.6 35.1 259 260 A F E -O 253 0F 55 -2,-0.5 -6,-0.3 -6,-0.3 2,-0.3 -0.405 20.6-144.5 -71.0 144.0 17.0 44.2 35.5 260 261 A A - 0 0 1 -8,-2.7 2,-0.3 -2,-0.1 -238,-0.2 -0.682 5.7-135.8 -99.8 154.8 20.6 45.4 35.6 261 262 A T > - 0 0 38 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.749 32.2-113.6 -92.9 161.5 23.9 44.2 34.3 262 263 A N H > S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.933 118.2 55.5 -58.7 -42.7 26.9 44.4 36.6 263 264 A G H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 105.1 51.0 -57.8 -40.3 28.4 46.9 34.2 264 265 A Q H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 110.0 49.5 -66.7 -38.5 25.4 49.1 34.5 265 266 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.921 112.4 47.7 -66.7 -42.8 25.5 49.1 38.3 266 267 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.910 111.1 51.8 -62.1 -43.6 29.2 49.9 38.3 267 268 A E H X S+ 0 0 120 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.927 109.8 49.1 -62.8 -40.4 28.6 52.8 35.8 268 269 A R H X S+ 0 0 110 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.928 113.0 46.0 -65.4 -45.3 25.9 54.3 37.9 269 270 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.913 112.2 52.1 -64.9 -41.7 28.0 54.2 41.1 270 271 A R H X S+ 0 0 96 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.913 107.8 51.7 -61.9 -43.8 31.0 55.6 39.2 271 272 A T H X S+ 0 0 55 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.924 110.8 47.8 -59.8 -45.6 28.9 58.5 37.9 272 273 A V H X S+ 0 0 49 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.956 111.8 49.6 -60.2 -50.3 27.6 59.4 41.4 273 274 A I H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 -2,-0.2 0.914 114.1 45.4 -57.5 -44.1 31.2 59.2 42.9 274 275 A E H ><5S+ 0 0 82 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.919 109.4 54.1 -66.8 -42.5 32.5 61.5 40.1 275 276 A H H 3<5S+ 0 0 156 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 104.6 57.3 -63.9 -25.9 29.6 63.9 40.4 276 277 A L T 3<5S- 0 0 83 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.381 127.1 -99.8 -88.4 1.7 30.4 64.2 44.2 277 278 A G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.578 91.2 98.1 97.7 11.3 33.9 65.3 43.3 278 279 A X < - 0 0 33 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.368 57.9-135.8-110.7-171.4 35.7 62.0 43.9 279 280 A S E -a 3 0A 34 -277,-1.8 -275,-3.4 -2,-0.1 2,-0.5 -0.980 19.8-105.0-147.6 166.7 36.9 59.2 41.6 280 281 A V E -a 4 0A 17 -2,-0.3 -275,-0.2 -277,-0.2 2,-0.1 -0.805 39.4-117.1 -95.7 125.8 37.0 55.5 41.4 281 282 A A - 0 0 0 -277,-2.6 -275,-0.4 -2,-0.5 -1,-0.0 -0.330 21.3-130.0 -58.3 131.8 40.3 53.7 42.1 282 283 A T > - 0 0 68 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.343 37.1 -98.5 -66.3 164.7 41.8 51.8 39.3 283 284 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.925 127.2 47.7 -55.0 -40.7 42.8 48.2 40.4 284 285 A D H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.882 110.7 50.5 -70.3 -38.0 46.4 49.4 40.9 285 286 A E H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 110.9 49.7 -62.6 -40.6 45.4 52.4 42.8 286 287 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 6,-0.2 0.904 108.5 53.0 -66.4 -39.6 43.2 50.2 45.0 287 288 A R H X>S+ 0 0 16 -4,-2.4 5,-2.6 -5,-0.2 4,-0.8 0.953 109.7 48.7 -59.2 -45.9 46.2 47.9 45.5 288 289 A D H ><5S+ 0 0 88 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.907 110.6 50.0 -60.8 -43.9 48.3 50.9 46.7 289 290 A I H 3<5S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.888 116.2 43.0 -60.1 -36.6 45.6 52.1 49.1 290 291 A X H 3<5S- 0 0 7 -4,-2.2 -102,-0.5 -5,-0.2 -1,-0.2 0.473 112.7-117.2 -93.6 -4.3 45.3 48.5 50.6 291 292 A G T <<5 + 0 0 55 -4,-0.8 2,-0.4 -3,-0.6 -3,-0.2 0.771 60.8 153.1 68.4 27.1 49.1 48.0 50.7 292 293 A L < - 0 0 22 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.747 47.9-116.2 -83.4 131.6 48.9 45.1 48.2 293 294 A S 0 0 109 -2,-0.4 -1,-0.1 1,-0.1 -5,-0.0 -0.311 360.0 360.0 -63.7 147.1 52.1 44.6 46.2 294 295 A R 0 0 173 -7,-0.0 -1,-0.1 -6,-0.0 -10,-0.0 -0.667 360.0 360.0 -88.1 360.0 51.8 45.1 42.5