==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SULFURTRANSFERASE 24-JUL-95 1ORB . COMPND 2 MOLECULE: CARBOXYMETHYLATED RHODANESE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR F.GLIUBICH,M.GAZERRO,G.ZANOTTI,S.DELBONO,R.BERNI . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 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 . 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 1 3 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 1 A V 0 0 135 0, 0.0 2,-0.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 105.3 47.4 30.7 69.5 2 2 A H - 0 0 98 4,-0.1 2,-0.3 120,-0.0 3,-0.2 -0.671 360.0-134.4-127.7 168.2 49.7 29.6 66.7 3 3 A Q > - 0 0 82 -2,-0.3 3,-0.5 1,-0.2 0, 0.0 -0.903 42.8-132.4-148.6 177.6 50.7 26.2 67.8 4 4 A V T 3 S+ 0 0 131 1,-0.5 2,-0.4 -2,-0.3 -1,-0.2 0.930 133.4 2.9 -67.8 -43.0 53.0 23.3 68.5 5 5 A L T 3 S- 0 0 62 -3,-0.2 -1,-0.5 257,-0.0 2,-0.1 -0.884 92.8-159.5-142.1 105.5 50.1 22.0 66.6 6 6 A Y < - 0 0 15 -3,-0.5 2,-1.1 -2,-0.4 3,-0.1 -0.282 43.7 -76.5 -75.8 163.7 47.6 24.7 65.5 7 7 A R - 0 0 107 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.472 50.0-179.6 -66.1 97.4 44.0 23.8 64.5 8 8 A A + 0 0 5 -2,-1.1 117,-2.1 1,-0.2 2,-0.4 0.875 67.2 39.5 -69.2 -33.1 44.5 22.4 61.0 9 9 A L E -a 125 0A 46 115,-0.2 2,-0.2 -3,-0.1 -1,-0.2 -0.975 63.1-173.2-122.6 122.6 40.8 21.7 60.4 10 10 A V E -a 126 0A 5 115,-1.3 117,-2.7 -2,-0.4 2,-0.2 -0.679 24.9-123.6-105.2 162.9 37.8 23.9 61.4 11 11 A S > - 0 0 52 -2,-0.2 4,-2.3 115,-0.2 5,-0.2 -0.645 17.3-114.3-107.1 169.5 34.3 22.7 60.9 12 12 A T H > S+ 0 0 9 115,-0.4 4,-3.1 -2,-0.2 5,-0.2 0.941 118.7 52.5 -61.4 -46.7 31.3 24.2 59.1 13 13 A K H > S+ 0 0 142 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.904 109.9 50.3 -50.2 -50.1 29.5 24.8 62.3 14 14 A W H > S+ 0 0 67 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.841 112.3 45.4 -53.1 -49.9 32.5 26.6 63.6 15 15 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.921 111.0 54.7 -65.6 -45.3 32.8 28.9 60.5 16 16 A A H X S+ 0 0 10 -4,-3.1 4,-2.7 1,-0.2 3,-0.4 0.975 107.2 47.4 -58.5 -56.0 29.2 29.6 60.5 17 17 A E H X S+ 0 0 90 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.909 109.5 54.9 -57.1 -32.8 28.9 30.8 64.0 18 18 A S H <>S+ 0 0 8 -4,-1.5 5,-4.6 2,-0.2 6,-0.4 0.900 108.3 48.2 -62.4 -37.8 32.0 33.0 63.5 19 19 A V H ><5S+ 0 0 24 -4,-1.9 3,-3.2 -3,-0.4 -1,-0.2 0.981 112.4 49.0 -62.8 -59.2 30.4 34.7 60.5 20 20 A R H 3<5S+ 0 0 181 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.853 106.8 57.2 -51.6 -36.6 27.2 35.2 62.5 21 21 A A T 3<5S- 0 0 63 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.496 118.8-112.2 -75.9 1.8 29.2 36.6 65.3 22 22 A G T < 5S+ 0 0 63 -3,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.891 73.3 143.0 72.5 29.3 30.5 39.1 63.1 23 23 A K < + 0 0 137 -5,-4.6 5,-0.3 -6,-0.2 4,-0.3 0.814 32.8 100.2 -76.7 -31.7 33.9 37.4 63.5 24 24 A V + 0 0 38 -6,-0.4 5,-0.2 -5,-0.1 31,-0.0 -0.359 57.1 84.7 -59.6 119.2 35.1 37.9 59.9 25 25 A G B > S-B 28 0A 10 3,-2.7 3,-2.1 -2,-0.2 -2,-0.0 -0.939 96.7 -26.7 174.7-163.5 37.5 40.8 59.7 26 26 A P T 3 S+ 0 0 95 0, 0.0 64,-0.5 0, 0.0 3,-0.2 0.631 136.6 45.4 -42.4 -29.6 41.2 41.5 60.3 27 27 A G T 3 S+ 0 0 46 -4,-0.3 67,-3.5 1,-0.3 2,-0.3 0.686 122.1 36.0 -90.4 -21.5 41.6 38.7 62.7 28 28 A L E < +Bc 25 94A 11 -3,-2.1 -3,-2.7 -5,-0.3 2,-0.4 -0.900 64.8 174.3-144.5 111.2 39.7 36.2 60.5 29 29 A R E - c 0 95A 34 65,-0.8 67,-2.3 -2,-0.3 2,-0.4 -0.941 16.1-152.5-115.5 124.7 39.8 36.1 56.7 30 30 A V E - c 0 96A 2 -2,-0.4 26,-2.1 24,-0.3 2,-0.4 -0.775 13.3-161.6-101.6 140.1 38.1 33.4 54.7 31 31 A L E -dc 56 97A 1 65,-3.0 67,-2.9 -2,-0.4 2,-0.7 -0.965 19.5-152.6-136.7 140.5 39.3 32.3 51.3 32 32 A D E +dc 57 98A 9 24,-2.6 26,-4.1 -2,-0.4 67,-0.2 -0.838 19.0 171.6 -97.2 114.7 38.0 30.5 48.3 33 33 A A + 0 0 0 65,-4.4 66,-0.2 -2,-0.7 -1,-0.1 -0.036 19.3 152.7-120.2 43.5 40.9 28.9 46.6 34 34 A S + 0 0 4 64,-0.2 2,-0.3 9,-0.1 26,-0.2 -0.380 13.7 172.4 -70.0 145.4 39.0 26.8 44.0 35 35 A W - 0 0 49 8,-0.1 2,-0.3 -2,-0.1 72,-0.1 -0.955 6.3-173.3-152.6 137.8 40.7 25.9 40.7 36 36 A Y - 0 0 28 -2,-0.3 3,-0.1 5,-0.3 7,-0.1 -0.964 37.2 -85.1-139.3 153.2 39.5 23.6 37.9 37 37 A S >> - 0 0 47 -2,-0.3 3,-1.5 1,-0.2 4,-0.6 -0.296 64.1 -90.3 -53.8 133.3 40.9 22.1 34.6 38 38 A P T 34 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.130 113.1 24.0 -49.7 134.7 40.3 24.6 31.8 39 39 A G T 34 S+ 0 0 86 2,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.564 111.7 71.8 85.8 7.6 37.0 23.9 30.1 40 40 A T T <4 S+ 0 0 102 -3,-1.5 2,-0.3 1,-0.4 -1,-0.1 0.634 101.6 3.2-114.8 -79.9 35.2 22.2 33.1 41 41 A R < - 0 0 72 -4,-0.6 2,-0.8 4,-0.0 -1,-0.4 -0.846 59.7-136.0-115.2 152.4 34.3 24.5 35.9 42 42 A E > - 0 0 112 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 -0.796 21.1-176.8-108.0 92.7 34.7 28.2 36.3 43 43 A A H > S+ 0 0 13 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.966 79.9 45.6 -55.0 -61.2 36.1 28.9 39.8 44 44 A R H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 116.2 46.2 -56.5 -35.5 36.1 32.6 39.7 45 45 A K H > S+ 0 0 112 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.953 112.2 50.9 -66.8 -45.3 32.6 32.9 38.3 46 46 A E H X S+ 0 0 48 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.805 110.8 50.9 -54.6 -39.5 31.4 30.3 40.7 47 47 A Y H < S+ 0 0 14 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.910 106.5 52.3 -67.3 -49.2 32.9 32.4 43.5 48 48 A L H < S+ 0 0 71 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.792 111.4 49.6 -59.1 -29.8 31.3 35.6 42.4 49 49 A E H < S+ 0 0 98 -4,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.931 128.1 3.8 -74.6 -53.2 27.9 33.9 42.4 50 50 A R < + 0 0 120 -4,-2.0 2,-0.3 92,-0.1 -1,-0.3 -0.951 69.4 151.2-146.6 122.2 28.1 32.3 45.9 51 51 A H B -F 141 0B 3 90,-1.6 90,-1.0 -2,-0.3 3,-0.1 -0.994 54.0 -86.7-144.4 148.3 30.7 32.6 48.5 52 52 A V S > S- 0 0 0 -2,-0.3 3,-3.2 88,-0.2 88,-0.2 -0.207 70.8 -82.4 -53.1 134.2 30.8 32.3 52.3 53 53 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.121 115.3 9.0 -48.3 130.5 29.9 35.8 53.6 54 54 A G T 3 S+ 0 0 39 1,-0.3 -24,-0.3 89,-0.2 -2,-0.1 0.365 95.0 144.2 82.7 -4.3 32.9 38.1 53.6 55 55 A A < - 0 0 0 -3,-3.2 -1,-0.3 -26,-0.1 2,-0.2 -0.288 37.1-149.5 -65.6 154.7 35.1 35.5 51.8 56 56 A S E -d 31 0A 14 -26,-2.1 -24,-2.6 -3,-0.1 2,-0.5 -0.740 20.0-111.8-116.5 163.3 37.7 36.6 49.2 57 57 A F E -d 32 0A 23 -2,-0.2 2,-0.7 -26,-0.2 -24,-0.2 -0.857 22.0-152.2 -99.3 127.1 38.9 34.7 46.1 58 58 A F - 0 0 0 -26,-4.1 2,-0.8 -2,-0.5 3,-0.1 -0.892 10.8-150.3-101.5 120.0 42.4 33.4 46.2 59 59 A D >> - 0 0 37 -2,-0.7 4,-2.6 1,-0.2 3,-1.9 -0.718 13.5-172.1 -89.8 98.1 43.8 33.1 42.6 60 60 A I T 34 S+ 0 0 3 -2,-0.8 -1,-0.2 1,-0.3 -25,-0.1 0.841 88.9 59.0 -53.4 -37.2 46.4 30.3 42.3 61 61 A E T 34 S+ 0 0 105 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.724 110.8 39.5 -67.5 -25.9 47.1 31.6 38.8 62 62 A E T <4 S+ 0 0 94 -3,-1.9 2,-1.8 1,-0.2 -2,-0.2 0.873 105.9 67.1 -91.1 -40.9 48.0 35.0 40.2 63 63 A C S < S+ 0 0 6 -4,-2.6 2,-0.3 2,-0.1 -1,-0.2 -0.518 89.5 77.3 -79.8 72.2 49.9 33.8 43.2 64 64 A R S S- 0 0 75 -2,-1.8 2,-1.6 -3,-0.2 10,-0.2 -0.984 93.4 -74.2-164.8 174.2 52.9 32.1 41.5 65 65 A D > - 0 0 70 8,-2.7 3,-2.0 -2,-0.3 8,-0.3 -0.664 43.1-176.2 -82.9 92.0 56.2 32.4 39.8 66 66 A K T 3 S+ 0 0 112 -2,-1.6 -1,-0.2 1,-0.3 -3,-0.0 0.750 79.1 61.4 -57.7 -27.3 54.8 33.7 36.5 67 67 A A T 3 S+ 0 0 88 -3,-0.2 -1,-0.3 6,-0.1 -2,-0.1 0.539 84.1 94.9 -82.4 -4.0 58.4 33.6 35.2 68 68 A S < - 0 0 27 -3,-2.0 5,-0.1 1,-0.1 4,-0.1 -0.704 70.0-140.0 -92.0 150.8 58.9 29.9 35.7 69 69 A P S S+ 0 0 98 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.532 80.6 81.7 -77.4 -10.4 58.4 27.4 33.0 70 70 A Y S > S- 0 0 48 -5,-0.1 3,-0.5 1,-0.1 2,-0.3 -0.503 91.3 -83.3 -96.9 167.6 56.8 25.0 35.4 71 71 A E T 3 S- 0 0 45 1,-0.2 206,-0.1 202,-0.2 -1,-0.1 -0.477 92.9 -21.9 -75.4 132.6 53.3 24.8 36.8 72 72 A V T 3 S- 0 0 21 -2,-0.3 -1,-0.2 1,-0.1 2,-0.2 0.872 80.5-175.1 40.7 57.7 52.0 26.9 39.8 73 73 A M < - 0 0 25 -3,-0.5 -8,-2.7 -8,-0.3 -1,-0.1 -0.563 34.2 -88.5 -82.3 147.5 55.5 27.5 41.3 74 74 A L - 0 0 22 -10,-0.2 -10,-0.2 -2,-0.2 -1,-0.1 -0.288 41.5-131.5 -58.7 133.2 55.9 29.3 44.5 75 75 A P - 0 0 17 0, 0.0 -10,-0.1 0, 0.0 2,-0.1 0.063 33.3 -88.7 -70.8-177.4 56.0 33.0 44.3 76 76 A S > - 0 0 70 -12,-0.2 4,-3.3 1,-0.1 5,-0.2 -0.555 38.5-102.9 -93.1 174.8 58.6 34.9 46.1 77 77 A E H > S+ 0 0 83 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.925 122.5 48.6 -57.3 -47.5 58.2 36.2 49.6 78 78 A A H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 112.8 49.5 -58.5 -42.2 57.5 39.7 48.5 79 79 A G H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.971 112.3 45.9 -60.4 -55.9 55.1 38.5 46.0 80 80 A F H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 5,-0.4 0.929 112.9 52.4 -51.8 -49.8 53.3 36.4 48.5 81 81 A A H X S+ 0 0 13 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.913 108.5 46.1 -53.7 -53.0 53.3 39.1 50.9 82 82 A D H X S+ 0 0 121 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.910 113.4 53.1 -60.4 -38.2 51.8 41.8 48.7 83 83 A Y H X S+ 0 0 49 -4,-2.2 4,-0.8 -5,-0.2 3,-0.3 0.981 113.8 37.5 -58.7 -66.4 49.2 39.4 47.6 84 84 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.2 1,-0.2 3,-0.8 0.861 113.4 60.2 -58.1 -35.1 47.8 38.2 51.0 85 85 A G H ><5S+ 0 0 4 -4,-2.4 3,-2.4 -5,-0.4 65,-2.3 0.952 101.2 52.2 -58.9 -47.9 48.2 41.8 52.3 86 86 A S H 3<5S+ 0 0 67 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.728 101.3 61.3 -60.9 -21.8 45.8 43.1 49.7 87 87 A L T <<5S- 0 0 17 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.197 124.5-107.1 -85.3 9.1 43.3 40.5 50.8 88 88 A G T < 5S+ 0 0 1 -3,-2.4 2,-0.5 62,-0.2 -3,-0.2 0.904 72.3 143.0 65.1 46.3 43.5 42.2 54.2 89 89 A I < - 0 0 0 -5,-1.2 -1,-0.2 -4,-0.4 2,-0.2 -0.933 25.8-175.1-124.4 119.2 45.5 39.5 56.0 90 90 A S > - 0 0 23 -64,-0.5 3,-2.2 -2,-0.5 62,-0.2 -0.499 46.1 -95.8-103.5 171.2 48.1 40.4 58.6 91 91 A N T 3 S+ 0 0 68 60,-0.6 31,-0.2 1,-0.3 61,-0.1 0.717 125.2 56.5 -60.1 -16.8 50.6 38.3 60.5 92 92 A D T 3 S+ 0 0 144 -66,-0.1 -1,-0.3 28,-0.1 2,-0.2 0.563 86.1 102.6 -92.2 -10.6 48.0 38.3 63.2 93 93 A T < - 0 0 0 -3,-2.2 2,-0.7 -65,-0.0 -65,-0.2 -0.495 66.7-132.4 -85.3 151.6 45.1 36.9 61.3 94 94 A H E -c 28 0A 19 -67,-3.5 -65,-0.8 -2,-0.2 2,-0.5 -0.902 27.7-147.8 -94.1 113.6 43.7 33.4 61.4 95 95 A V E -ce 29 123A 0 27,-1.9 29,-3.5 -2,-0.7 2,-0.5 -0.799 11.7-166.8 -93.5 120.6 43.2 32.2 57.7 96 96 A V E -ce 30 124A 0 -67,-2.3 -65,-3.0 -2,-0.5 2,-0.4 -0.910 12.8-165.0-106.5 123.0 40.4 29.8 56.8 97 97 A V E +ce 31 125A 0 27,-3.0 29,-2.3 -2,-0.5 2,-0.3 -0.918 12.8 163.4-117.9 142.6 40.6 28.2 53.3 98 98 A Y E -c 32 0A 2 -67,-2.9 -65,-4.4 -2,-0.4 2,-0.3 -0.952 16.3-161.1-149.7 162.7 38.2 26.4 51.1 99 99 A D - 0 0 3 5,-0.4 31,-2.3 -2,-0.3 32,-0.4 -0.882 26.6-125.3-138.5 167.3 37.5 25.2 47.7 100 100 A G + 0 0 13 -2,-0.3 5,-0.1 30,-0.2 -68,-0.0 0.258 54.2 144.5 -97.3 4.4 34.4 24.0 45.8 101 101 A D > - 0 0 27 1,-0.2 3,-0.9 3,-0.1 30,-0.3 0.016 54.5-131.5 -47.0 143.6 35.7 20.6 44.6 102 102 A D T 3 S+ 0 0 118 1,-0.3 -1,-0.2 2,-0.1 4,-0.0 0.797 108.8 60.5 -71.1 -21.1 33.2 17.9 44.5 103 103 A L T 3 S- 0 0 59 1,-0.1 -1,-0.3 117,-0.0 114,-0.1 0.747 117.7-115.7 -73.8 -21.0 35.5 15.6 46.4 104 104 A G S < S+ 0 0 3 -3,-0.9 -5,-0.4 112,-0.1 2,-0.3 -0.132 90.0 37.6 111.1 -30.3 35.3 18.2 49.2 105 105 A S + 0 0 6 23,-0.1 -5,-0.0 24,-0.1 115,-0.0 -0.865 55.7 127.7-157.5 121.9 38.9 19.2 49.1 106 106 A F S S+ 0 0 56 -2,-0.3 4,-0.2 -5,-0.0 149,-0.1 0.613 84.5 19.0-129.0 -64.8 41.4 19.7 46.3 107 107 A Y S >> S+ 0 0 4 2,-0.1 4,-1.4 1,-0.1 3,-0.8 0.618 102.9 83.3 -89.5 -26.9 43.2 23.1 46.2 108 108 A A H >> S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.929 88.0 54.0 -50.5 -47.8 42.6 24.1 49.9 109 109 A P H 3> S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.842 103.7 57.6 -54.3 -35.8 45.6 22.1 51.2 110 110 A R H <> S+ 0 0 1 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.886 108.7 43.7 -59.3 -48.2 47.8 23.8 48.8 111 111 A V H <>S+ 0 0 0 -4,-2.4 5,-2.0 -3,-0.4 3,-0.7 0.989 111.7 47.9 -64.9 -46.7 50.9 30.1 54.2 116 116 A R H ><5S+ 0 0 21 -4,-1.7 3,-1.7 1,-0.3 -2,-0.2 0.861 106.2 56.0 -57.3 -41.5 53.0 27.8 56.4 117 117 A V H 3<5S+ 0 0 0 -4,-2.3 40,-2.3 1,-0.3 -1,-0.3 0.799 107.9 50.6 -69.2 -18.5 55.9 27.8 54.1 118 118 A F T <<5S- 0 0 1 -4,-1.0 37,-5.7 -3,-0.7 -1,-0.3 0.503 130.2 -92.1 -97.6 3.1 56.0 31.5 54.2 119 119 A G T < 5S+ 0 0 22 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.453 83.4 122.5 104.0 11.7 55.9 31.6 58.0 120 120 A H < + 0 0 6 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.846 27.4 176.5-104.6 134.1 52.3 31.8 59.1 121 121 A R + 0 0 101 -2,-0.4 2,-1.6 1,-0.2 -115,-0.1 0.739 61.1 80.4-110.3 -20.5 50.9 29.1 61.4 122 122 A T + 0 0 20 -31,-0.2 -27,-1.9 -29,-0.2 2,-0.3 -0.528 67.4 115.3 -87.0 70.7 47.4 30.2 62.1 123 123 A V E + e 0 95A 1 -2,-1.6 2,-0.3 -29,-0.2 -27,-0.2 -0.992 37.6 178.3-136.4 140.5 45.8 28.9 58.9 124 124 A S E - 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0 0 3 -30,-4.0 2,-0.2 -2,-0.6 5,-0.1 -0.766 28.9-143.7-131.0 86.2 49.3 7.5 48.0 211 211 A P > - 0 0 11 0, 0.0 3,-3.1 0, 0.0 4,-0.2 -0.226 10.6-136.3 -52.1 110.8 46.4 8.6 46.0 212 212 A F G > S+ 0 0 13 -31,-2.2 3,-2.4 1,-0.3 4,-0.2 0.802 98.6 62.9 -34.9 -51.7 45.0 11.8 47.5 213 213 A M G > S+ 0 0 63 1,-0.3 3,-1.2 -32,-0.2 -1,-0.3 0.672 88.0 75.4 -57.0 -12.3 41.3 10.9 47.3 214 214 A N G < S+ 0 0 77 -3,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.644 87.3 59.9 -73.7 -15.1 42.1 8.0 49.7 215 215 A F G < S+ 0 0 0 -3,-2.4 8,-2.1 -4,-0.2 2,-0.3 0.294 97.1 75.4 -91.5 1.3 42.3 10.5 52.6 216 216 A L B < S-L 222 0E 15 -3,-1.2 2,-0.3 6,-0.2 6,-0.2 -0.773 75.2-126.9-116.3 162.3 38.7 11.7 52.1 217 217 A T > - 0 0 45 4,-1.9 3,-4.3 -2,-0.3 4,-0.3 -0.757 34.3-100.0-105.5 158.2 35.4 10.1 53.0 218 218 A E T 3 S+ 0 0 178 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.813 126.4 52.2 -40.5 -41.6 32.5 9.6 50.7 219 219 A D T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.1 -115,-0.0 0.586 122.7-107.0 -76.3 -7.2 30.9 12.7 52.2 220 220 A G S < S+ 0 0 0 -3,-4.3 2,-0.3 1,-0.3 -92,-0.3 0.761 75.5 128.2 86.3 37.2 34.1 14.7 51.5 221 221 A F - 0 0 52 -4,-0.3 -4,-1.9 -94,-0.1 -1,-0.3 -0.880 67.0 -92.1-119.3 150.3 35.4 15.1 55.0 222 222 A E B -L 216 0E 18 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.250 44.8-110.3 -60.6 147.7 38.9 14.3 56.1 223 223 A K - 0 0 56 -8,-2.1 -1,-0.1 1,-0.1 -6,-0.1 -0.251 41.7 -94.8 -70.3 171.5 39.4 10.7 57.4 224 224 A S >> - 0 0 38 1,-0.1 4,-2.1 4,-0.0 3,-1.9 -0.636 31.9-109.0 -90.6 148.2 40.1 10.4 61.2 225 225 A P H 3> S+ 0 0 42 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.768 121.4 52.7 -38.6 -39.7 43.6 10.2 62.7 226 226 A E H 3> S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.902 112.3 46.2 -65.9 -42.1 43.3 6.6 63.5 227 227 A E H <> S+ 0 0 96 -3,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.920 114.5 46.4 -66.2 -49.8 42.2 6.0 59.9 228 228 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.907 110.5 54.0 -58.0 -48.9 45.1 8.1 58.4 229 229 A R H X S+ 0 0 112 -4,-2.9 4,-1.7 1,-0.3 -1,-0.2 0.901 107.9 48.8 -54.7 -44.1 47.6 6.5 60.7 230 230 A A H X S+ 0 0 56 -4,-1.5 4,-3.2 -5,-0.2 -1,-0.3 0.846 109.1 56.4 -68.7 -27.2 46.7 3.1 59.5 231 231 A M H X S+ 0 0 34 -4,-1.3 4,-1.6 -3,-0.3 -2,-0.2 0.987 106.5 45.2 -68.0 -59.4 46.9 4.2 56.0 232 232 A F H <>S+ 0 0 1 -4,-2.6 5,-3.1 1,-0.2 -1,-0.2 0.893 116.3 52.1 -51.6 -35.1 50.4 5.4 56.1 233 233 A E H ><5S+ 0 0 110 -4,-1.7 3,-2.7 -5,-0.3 -2,-0.2 0.953 102.7 51.9 -66.6 -51.5 51.1 2.2 57.9 234 234 A A H 3<5S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.782 112.2 52.8 -55.6 -23.7 49.6 -0.1 55.4 235 235 A K T 3<5S- 0 0 82 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.259 114.3-117.7 -90.6 -0.4 51.8 1.7 52.9 236 236 A K T < 5 + 0 0 152 -3,-2.7 2,-0.6 1,-0.2 -3,-0.2 0.840 64.4 146.6 62.0 31.2 54.9 1.2 54.8 237 237 A V < - 0 0 5 -5,-3.1 2,-0.8 -6,-0.2 -1,-0.2 -0.906 40.4-146.1-101.1 120.5 55.4 5.0 55.3 238 238 A D > - 0 0 62 -2,-0.6 3,-1.9 1,-0.1 -61,-0.1 -0.801 7.9-160.0 -95.9 107.2 57.0 5.7 58.7 239 239 A L T 3 S+ 0 0 35 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.692 91.4 65.2 -56.8 -14.7 55.7 8.9 60.2 240 240 A T T 3 S+ 0 0 117 2,-0.1 -1,-0.3 25,-0.0 3,-0.1 0.802 95.7 63.0 -79.2 -31.1 58.8 8.8 62.3 241 241 A K S < S- 0 0 116 -3,-1.9 -65,-0.1 1,-0.1 -66,-0.0 -0.478 100.3 -77.2 -94.9 166.0 61.2 9.2 59.4 242 242 A P - 0 0 55 0, 0.0 -65,-3.5 0, 0.0 2,-0.4 -0.299 49.3-163.7 -63.8 143.4 61.6 12.1 57.0 243 243 A L E -h 177 0C 3 24,-0.3 26,-2.4 -67,-0.3 2,-0.4 -0.997 17.4-168.9-140.0 136.4 59.1 12.5 54.2 244 244 A I E -hj 178 269C 1 -67,-3.8 -65,-3.1 -2,-0.4 2,-0.4 -0.981 14.8-155.0-120.7 126.5 58.8 14.4 50.9 245 245 A A E +hj 179 270C 0 24,-2.5 26,-3.1 -2,-0.4 2,-0.3 -0.890 18.3 168.5-107.6 139.7 55.5 14.6 49.1 246 246 A T E +h 180 0C 1 -67,-2.1 -65,-2.2 -2,-0.4 2,-0.2 -0.819 8.7 157.8-136.1 173.6 55.2 15.1 45.4 247 247 A C - 0 0 7 24,-0.3 28,-1.5 -2,-0.3 -65,-0.1 -0.467 63.1 -58.7-161.0-128.6 52.5 14.9 42.8 248 248 A R S S- 0 0 12 26,-0.2 28,-2.2 -2,-0.2 29,-0.3 0.764 127.4 -2.5-102.3 -50.2 52.2 16.5 39.3 249 249 A K S S- 0 0 35 26,-0.1 25,-0.1 25,-0.1 23,-0.0 0.020 105.5 -95.0-135.2 29.6 52.4 20.2 40.2 250 250 A G S S+ 0 0 0 21,-0.1 24,-0.1 23,-0.1 23,-0.1 0.811 93.8 110.0 62.0 34.7 52.7 20.1 44.0 251 251 A V S > S+ 0 0 3 2,-0.1 3,-1.6 3,-0.0 4,-0.2 0.817 80.1 27.6-102.2 -73.0 49.0 20.6 44.7 252 252 A T T > S+ 0 0 9 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.460 103.8 81.3 -73.9 8.3 47.4 17.5 46.0 253 253 A A T >> S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 4,-1.5 0.809 81.3 68.8 -75.4 -25.0 50.8 16.6 47.6 254 254 A C H <> S+ 0 0 0 -3,-1.6 4,-2.0 1,-0.3 5,-0.3 0.740 86.1 66.5 -63.8 -18.6 49.7 19.0 50.2 255 255 A H H <> S+ 0 0 1 -3,-0.7 4,-1.4 -4,-0.2 -1,-0.3 0.840 97.4 52.8 -75.6 -24.4 47.1 16.5 51.1 256 256 A I H <> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.4 -2,-0.2 0.954 109.7 49.1 -69.5 -46.8 49.9 14.1 52.3 257 257 A A H X S+ 0 0 3 -4,-1.5 4,-2.2 1,-0.2 11,-0.2 0.876 111.1 48.2 -56.5 -43.7 51.3 16.9 54.5 258 258 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.868 110.9 51.5 -70.8 -34.9 47.9 17.8 56.1 259 259 A A H < S+ 0 0 0 -4,-1.4 4,-0.5 -5,-0.3 -2,-0.2 0.967 110.6 47.1 -69.7 -40.0 47.2 14.3 56.8 260 260 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.9 0.909 110.3 54.2 -60.9 -43.8 50.6 13.7 58.5 261 261 A Y H ><5S+ 0 0 17 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.888 105.1 50.7 -58.8 -43.1 50.2 16.9 60.6 262 262 A L T 3<5S+ 0 0 46 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.697 109.7 55.6 -70.9 -10.8 46.9 15.8 62.0 263 263 A C T < 5S- 0 0 13 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.354 131.7 -96.1 -96.8 1.6 48.8 12.7 62.8 264 264 A G T < 5S+ 0 0 48 -3,-1.8 -3,-0.3 1,-0.1 -2,-0.1 0.258 94.0 110.7 101.3 -11.2 51.4 14.6 64.7 265 265 A K < + 0 0 20 -5,-2.6 3,-0.5 1,-0.1 -2,-0.2 -0.788 31.6 168.6-100.4 102.0 54.1 15.1 61.9 266 266 A P + 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.254 61.0 75.9 -93.9 15.1 54.2 18.7 60.9 267 267 A D + 0 0 77 -7,-0.1 2,-0.3 2,-0.1 -24,-0.3 0.193 49.4 135.3-119.2 35.1 57.3 18.5 59.0 268 268 A V - 0 0 2 -3,-0.5 2,-0.2 -11,-0.2 -24,-0.2 -0.592 46.3-144.9 -73.1 126.8 56.4 16.8 55.6 269 269 A A E - j 0 244C 2 -26,-2.4 -24,-2.5 -2,-0.3 2,-0.5 -0.630 6.4-130.9 -93.7 160.1 58.2 18.9 53.0 270 270 A I E -gj 161 245C 0 -110,-2.2 -108,-2.0 -2,-0.2 2,-1.3 -0.944 3.7-141.6-115.3 130.5 56.7 19.4 49.6 271 271 A Y E -g 162 0C 0 -26,-3.1 -24,-0.3 -2,-0.5 3,-0.2 -0.703 23.7-172.0 -81.3 92.7 58.5 18.9 46.3 272 272 A D S S+ 0 0 9 -2,-1.3 -1,-0.2 -110,-0.7 5,-0.1 0.913 78.6 54.4 -56.3 -44.2 56.9 22.0 44.5 273 273 A G S > S+ 0 0 4 -111,-0.5 4,-1.7 -3,-0.1 3,-0.4 0.883 87.8 171.3 -59.4 -38.4 58.3 21.3 41.0 274 274 A S H > - 0 0 0 -3,-0.2 4,-2.2 1,-0.2 -26,-0.2 -0.069 56.0 -35.8 58.6-164.7 56.8 17.8 41.2 275 275 A W H > S+ 0 0 1 -28,-1.5 4,-3.2 2,-0.2 5,-0.3 0.830 132.7 65.2 -61.7 -33.0 56.6 15.4 38.2 276 276 A F H > S+ 0 0 31 -28,-2.2 4,-1.3 -3,-0.4 -1,-0.2 0.982 112.1 32.0 -56.6 -59.9 56.1 18.2 35.8 277 277 A E H X S+ 0 0 12 -4,-1.7 4,-1.6 -29,-0.3 5,-0.3 0.895 118.3 56.1 -64.6 -39.1 59.5 19.8 36.4 278 278 A W H >X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 3,-1.2 0.978 104.7 51.7 -55.0 -57.2 61.1 16.4 37.1 279 279 A F H 3< S+ 0 0 45 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.837 115.5 42.7 -49.4 -38.0 60.1 15.0 33.8 280 280 A H H 3< S+ 0 0 92 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.646 125.1 32.0 -87.1 -14.4 61.6 18.0 32.0 281 281 A R H << S+ 0 0 98 -4,-1.6 -2,-0.2 -3,-1.2 -3,-0.2 0.720 99.8 75.3-113.4 -31.2 64.8 18.2 34.1 282 282 A A S < S- 0 0 11 -4,-3.4 5,-0.0 -5,-0.3 -118,-0.0 -0.467 84.4 -96.5 -88.1 162.4 66.0 14.8 35.2 283 283 A P > - 0 0 61 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.427 34.6-122.6 -66.9 143.7 67.6 12.0 33.3 284 284 A P G > S+ 0 0 82 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 0.756 107.3 72.7 -61.2 -25.8 65.1 9.5 32.2 285 285 A E G 3 S+ 0 0 142 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.680 86.7 67.4 -61.3 -18.9 67.0 6.8 34.1 286 286 A T G < S+ 0 0 14 -3,-1.8 -81,-3.0 -82,-0.0 2,-0.3 0.374 102.4 46.3 -82.8 1.9 65.7 8.3 37.3 287 287 A W E < -K 204 0D 33 -3,-1.8 2,-0.3 -83,-0.3 -83,-0.2 -0.851 66.0-147.9-137.8 174.0 62.1 7.4 36.6 288 288 A V E -K 203 0D 61 -85,-1.8 -85,-2.0 -2,-0.3 2,-0.3 -0.997 6.9-170.3-146.4 150.5 60.0 4.5 35.4 289 289 A S - 0 0 24 -2,-0.3 2,-0.6 -87,-0.2 -100,-0.2 -0.957 34.9-126.1-137.8 156.4 56.8 3.9 33.5 290 290 A Q S S+ 0 0 140 -102,-1.0 2,-0.2 -2,-0.3 -101,-0.1 -0.307 103.8 26.2 -95.5 50.8 54.5 1.0 32.8 291 291 A G S S+ 0 0 46 -2,-0.6 -2,-0.2 1,-0.3 -101,-0.1 -0.566 96.6 56.3-164.7-129.5 55.1 1.9 29.2 292 292 A K 0 0 167 -2,-0.2 -1,-0.3 1,-0.2 -3,-0.2 0.090 360.0 360.0 -29.1 107.9 57.8 3.7 27.1 293 293 A G 0 0 125 -3,-0.1 -1,-0.2 -5,-0.1 -3,-0.0 0.281 360.0 360.0 -99.6 360.0 61.0 1.7 27.7