==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-DEC-99 1DP2 . COMPND 2 MOLECULE: RHODANESE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.ZANOTTI,M.CIANCI . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 66.6 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 . 11 3.8 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 . 28 9.6 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 . 68 23.2 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 0 1 0 2 1 1 5 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 . 4 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 41 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 150.6 52.3 24.1 61.1 2 2 A H - 0 0 113 1,-0.1 3,-0.1 3,-0.1 4,-0.0 -0.774 360.0 -85.2 144.2-175.6 53.6 24.6 64.7 3 3 A Q S S+ 0 0 177 -2,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.872 123.9 49.9 -81.5 -54.7 53.7 22.0 67.6 4 4 A V S S- 0 0 105 -3,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.781 100.2-133.5 -80.2 121.9 50.1 22.6 68.6 5 5 A L - 0 0 53 -2,-0.6 2,-0.1 -3,-0.1 -3,-0.1 -0.621 9.1-124.4 -84.6 141.3 48.4 22.3 65.4 6 6 A Y - 0 0 45 -2,-0.3 2,-0.7 115,-0.1 3,-0.1 -0.457 43.5 -85.1 -78.3 154.3 45.8 24.8 64.3 7 7 A R - 0 0 111 1,-0.2 -1,-0.1 -2,-0.1 116,-0.1 -0.482 44.4-175.1 -67.3 105.4 42.3 23.6 63.4 8 8 A A + 0 0 4 -2,-0.7 117,-2.8 116,-0.1 2,-0.4 0.690 68.5 54.3 -71.3 -19.6 42.9 22.7 59.8 9 9 A L E -a 125 0A 46 115,-0.2 2,-0.3 117,-0.1 117,-0.2 -0.964 62.1-174.5-124.2 132.0 39.1 21.8 59.3 10 10 A V E -a 126 0A 5 115,-2.3 117,-2.9 -2,-0.4 2,-0.2 -0.926 25.0-126.0-119.8 143.1 36.2 24.1 60.1 11 11 A S E > -a 127 0A 55 -2,-0.3 4,-2.3 115,-0.2 5,-0.2 -0.579 17.8-118.4 -91.2 162.3 32.6 22.8 59.9 12 12 A T H > S+ 0 0 8 115,-0.5 4,-3.2 2,-0.2 5,-0.2 0.931 115.9 57.1 -59.7 -41.0 29.9 24.4 57.8 13 13 A K H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 106.5 48.9 -57.2 -45.2 27.9 24.9 61.1 14 14 A W H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 112.7 46.5 -59.2 -49.7 30.8 26.8 62.6 15 15 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.936 110.3 53.7 -64.0 -40.9 31.1 29.1 59.5 16 16 A A H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.938 110.6 46.4 -58.8 -47.3 27.4 29.7 59.4 17 17 A E H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.927 111.2 51.7 -62.3 -43.8 27.3 30.8 63.0 18 18 A S H <>S+ 0 0 7 -4,-2.4 5,-2.9 1,-0.2 6,-0.4 0.875 110.4 49.3 -62.4 -35.5 30.3 33.1 62.5 19 19 A V H ><5S+ 0 0 24 -4,-2.4 3,-1.9 3,-0.2 -2,-0.2 0.952 111.6 47.3 -70.7 -46.0 28.7 34.7 59.5 20 20 A R H 3<5S+ 0 0 166 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.852 107.6 57.8 -64.0 -29.7 25.4 35.3 61.3 21 21 A A T 3<5S- 0 0 64 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.493 116.1-119.2 -76.9 1.2 27.4 36.7 64.2 22 22 A G T < 5 + 0 0 64 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.772 69.1 139.8 68.0 30.1 28.9 39.3 61.8 23 23 A K < + 0 0 134 -5,-2.9 5,-0.3 -6,-0.2 4,-0.3 0.699 30.5 99.7 -82.4 -19.7 32.4 38.0 62.4 24 24 A V + 0 0 36 -6,-0.4 5,-0.2 -5,-0.2 31,-0.0 -0.536 56.0 89.2 -72.9 134.6 33.8 38.0 58.8 25 25 A G B > S-B 28 0A 12 3,-1.8 3,-1.6 -2,-0.3 -2,-0.1 -0.909 100.0 -23.0 166.6-153.1 35.9 41.1 58.5 26 26 A P T 3 S+ 0 0 74 0, 0.0 64,-0.5 0, 0.0 3,-0.1 0.746 139.5 45.8 -57.6 -26.2 39.6 41.8 59.3 27 27 A G T 3 S+ 0 0 45 -4,-0.3 67,-2.9 1,-0.2 2,-0.4 0.679 121.3 31.6 -89.3 -20.6 39.7 38.8 61.7 28 28 A L E < +Bc 25 94A 10 -3,-1.6 -3,-1.8 -5,-0.3 2,-0.4 -0.936 66.0 173.6-143.8 111.9 37.9 36.2 59.6 29 29 A R E - c 0 95A 23 65,-2.1 67,-2.5 -2,-0.4 2,-0.4 -0.951 16.4-151.3-120.8 142.7 38.1 36.2 55.8 30 30 A V E - c 0 96A 1 24,-0.4 26,-2.7 -2,-0.4 2,-0.4 -0.911 10.2-162.8-117.5 141.3 36.6 33.5 53.6 31 31 A L E -dc 56 97A 0 65,-2.9 67,-2.7 -2,-0.4 2,-0.7 -0.975 17.8-150.3-130.9 136.2 38.0 32.5 50.3 32 32 A D E +dc 57 98A 6 24,-2.4 26,-3.1 -2,-0.4 67,-0.2 -0.933 18.1 180.0 -98.1 117.4 36.5 30.5 47.5 33 33 A A + 0 0 2 65,-3.3 66,-0.2 -2,-0.7 27,-0.1 0.085 22.7 152.1-104.2 17.5 39.6 28.9 45.9 34 34 A S + 0 0 5 64,-0.3 2,-0.3 9,-0.1 26,-0.2 -0.236 10.6 162.3 -56.2 137.4 37.7 27.1 43.1 35 35 A W + 0 0 43 8,-0.1 2,-0.3 24,-0.1 72,-0.2 -0.950 9.0 179.4-148.9 139.8 39.5 26.3 39.8 36 36 A Y - 0 0 24 -2,-0.3 7,-0.2 5,-0.2 3,-0.1 -0.967 41.8 -77.1-141.4 154.7 38.3 23.7 37.3 37 37 A S >> - 0 0 55 -2,-0.3 3,-2.1 1,-0.1 4,-0.6 -0.182 63.7 -87.7 -50.0 141.7 39.7 22.6 33.9 38 38 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.301 114.8 22.1 -54.0 127.3 39.0 25.0 31.1 39 39 A G T 34 S+ 0 0 82 2,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.399 109.2 75.0 96.9 -3.0 35.6 24.2 29.6 40 40 A T T <4 S- 0 0 97 -3,-2.1 2,-0.3 1,-0.5 -1,-0.1 0.786 104.0 -6.6-101.9 -75.7 34.1 22.3 32.5 41 41 A R < - 0 0 63 -4,-0.6 2,-0.8 4,-0.0 -1,-0.5 -0.860 62.3-128.1-120.0 160.4 32.9 24.7 35.3 42 42 A E > - 0 0 129 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.821 20.5-171.3-115.3 91.9 33.5 28.4 35.6 43 43 A A H > S+ 0 0 12 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.889 81.9 43.7 -52.6 -51.9 34.9 29.1 39.0 44 44 A R H > S+ 0 0 152 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 114.4 49.5 -68.1 -38.0 34.8 32.9 39.0 45 45 A K H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 110.8 50.3 -67.2 -38.8 31.2 33.1 37.6 46 46 A E H X S+ 0 0 50 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.934 110.8 50.2 -61.3 -42.1 30.0 30.5 40.1 47 47 A Y H < S+ 0 0 20 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.902 107.9 52.0 -58.0 -50.2 31.6 32.6 42.8 48 48 A L H < S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.811 113.9 46.1 -60.2 -30.0 29.9 35.8 41.5 49 49 A E H < S+ 0 0 103 -4,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.892 130.1 4.7 -78.2 -44.3 26.6 34.0 41.6 50 50 A R < + 0 0 103 -4,-2.7 -1,-0.3 -5,-0.2 2,-0.3 -0.974 70.0 146.7-147.7 125.9 26.8 32.4 45.0 51 51 A H B -F 141 0B 3 90,-1.2 90,-1.9 -2,-0.4 92,-0.1 -0.962 57.6 -86.4-148.0 159.9 29.4 32.7 47.7 52 52 A V > - 0 0 0 -2,-0.3 3,-2.2 88,-0.2 88,-0.2 -0.430 68.9 -84.0 -65.1 147.0 29.2 32.6 51.5 53 53 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -29,-0.1 -0.352 116.2 12.2 -57.1 127.3 28.4 36.2 52.5 54 54 A G T 3 S+ 0 0 27 1,-0.3 -24,-0.4 89,-0.2 -2,-0.1 0.350 94.0 137.8 87.5 -8.1 31.6 38.3 52.7 55 55 A A < - 0 0 0 -3,-2.2 2,-0.3 -26,-0.1 -1,-0.3 -0.392 39.6-151.1 -69.6 147.7 33.8 35.7 50.9 56 56 A S E -d 31 0A 11 -26,-2.7 -24,-2.4 88,-0.1 2,-0.6 -0.785 21.5-108.8-111.5 162.6 36.3 36.8 48.2 57 57 A F E -d 32 0A 27 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.810 22.9-150.5 -93.3 125.9 37.5 34.8 45.2 58 58 A F - 0 0 0 -26,-3.1 2,-1.0 -2,-0.6 3,-0.1 -0.849 13.2-150.9 -94.6 118.1 41.1 33.6 45.5 59 59 A D >> - 0 0 44 -2,-0.7 4,-2.5 1,-0.2 3,-1.0 -0.713 15.8-174.1 -95.8 104.4 42.3 33.4 41.9 60 60 A I T 34 S+ 0 0 6 -2,-1.0 -1,-0.2 1,-0.3 -25,-0.1 0.782 86.3 62.1 -69.2 -19.1 45.0 30.7 41.6 61 61 A E T 34 S+ 0 0 87 1,-0.1 -1,-0.3 -3,-0.1 3,-0.2 0.859 111.9 36.9 -68.0 -38.4 45.6 31.8 38.0 62 62 A E T <4 S+ 0 0 101 -3,-1.0 2,-2.1 1,-0.2 4,-0.2 0.935 108.9 62.7 -76.7 -51.6 46.7 35.2 39.3 63 63 A C S < S+ 0 0 5 -4,-2.5 2,-0.3 2,-0.1 -1,-0.2 -0.429 90.2 81.8 -81.0 71.1 48.5 34.2 42.5 64 64 A R S S- 0 0 59 -2,-2.1 2,-1.5 -3,-0.2 10,-0.2 -0.958 94.8 -79.7-158.9 170.2 51.3 32.1 40.9 65 65 A D > - 0 0 65 8,-2.0 3,-1.4 -2,-0.3 8,-0.3 -0.692 43.5-175.0 -82.5 98.1 54.6 32.6 39.3 66 66 A K T 3 S+ 0 0 115 -2,-1.5 -1,-0.2 1,-0.3 -3,-0.0 0.734 77.6 62.8 -65.5 -23.6 53.3 33.6 35.9 67 67 A A T 3 S+ 0 0 90 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.570 82.5 100.8 -77.3 -14.3 56.9 33.6 34.5 68 68 A S < - 0 0 27 -3,-1.4 5,-0.1 1,-0.1 4,-0.1 -0.537 69.4-141.4 -72.1 147.0 57.4 29.8 35.2 69 69 A P S S+ 0 0 100 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.665 82.5 76.9 -68.9 -19.9 57.1 27.2 32.3 70 70 A Y S S- 0 0 45 1,-0.1 3,-0.4 -5,-0.1 2,-0.2 -0.474 90.4 -86.4-104.4 168.8 55.4 24.9 34.8 71 71 A E S S- 0 0 37 202,-0.3 206,-0.1 1,-0.2 -1,-0.1 -0.485 88.0 -18.2 -84.6 146.6 52.0 24.8 36.2 72 72 A V S S+ 0 0 15 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.833 77.6 174.2 18.3 74.6 50.7 26.6 39.3 73 73 A M - 0 0 26 -3,-0.4 -8,-2.0 -8,-0.3 -1,-0.2 -0.729 39.2 -87.4 -97.1 148.8 53.9 27.4 40.8 74 74 A L - 0 0 18 -2,-0.3 -10,-0.2 -10,-0.2 -1,-0.1 -0.219 38.7-127.1 -54.9 142.0 54.1 29.6 44.0 75 75 A P - 0 0 14 0, 0.0 -10,-0.2 0, 0.0 2,-0.1 -0.207 39.4 -88.9 -68.1 178.6 54.3 33.4 43.5 76 76 A S > - 0 0 78 -12,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.436 43.1 -98.6 -80.2 173.3 57.1 35.2 45.2 77 77 A E H > S+ 0 0 88 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.944 125.5 49.3 -54.2 -49.6 56.6 36.4 48.7 78 78 A A H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 110.5 51.4 -59.6 -41.5 55.9 40.0 47.5 79 79 A G H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.930 112.8 43.5 -61.4 -49.2 53.4 38.6 45.0 80 80 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.952 113.6 53.0 -60.4 -47.2 51.5 36.6 47.6 81 81 A A H X S+ 0 0 12 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.914 110.8 44.1 -58.1 -44.4 51.6 39.4 50.1 82 82 A D H X S+ 0 0 121 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.931 115.6 47.9 -72.1 -38.1 50.1 42.0 47.8 83 83 A Y H X S+ 0 0 45 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.953 116.5 41.0 -65.2 -50.7 47.5 39.7 46.5 84 84 A V H ><>S+ 0 0 0 -4,-2.8 5,-1.8 -5,-0.2 3,-0.6 0.910 112.5 56.5 -68.8 -37.8 46.3 38.4 49.8 85 85 A G H ><5S+ 0 0 4 -4,-2.5 65,-2.4 -5,-0.4 3,-2.1 0.906 102.7 54.8 -60.8 -38.9 46.6 41.9 51.4 86 86 A S H 3<5S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.748 100.7 61.0 -69.8 -17.1 44.2 43.3 48.7 87 87 A L T <<5S- 0 0 20 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.326 124.5-106.9 -85.4 5.9 41.7 40.6 49.8 88 88 A G T < 5S+ 0 0 0 -3,-2.1 2,-0.5 1,-0.3 -3,-0.2 0.727 74.0 141.5 76.6 22.8 41.8 42.3 53.3 89 89 A I < + 0 0 0 -5,-1.8 -1,-0.3 61,-0.2 2,-0.2 -0.845 24.2 177.7-102.9 124.9 43.8 39.5 54.9 90 90 A S > - 0 0 25 -2,-0.5 3,-2.3 -64,-0.5 62,-0.2 -0.705 50.9 -90.2-110.0 177.9 46.5 40.5 57.4 91 91 A N T 3 S+ 0 0 59 60,-0.6 31,-0.2 1,-0.3 61,-0.1 0.725 127.6 55.6 -61.2 -15.5 48.8 38.3 59.5 92 92 A D T 3 S+ 0 0 140 -66,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.356 83.2 111.0 -95.9 -1.5 46.0 38.3 62.1 93 93 A T < - 0 0 0 -3,-2.3 2,-0.7 -65,-0.1 -65,-0.2 -0.615 63.4-140.9 -82.7 131.3 43.3 37.0 59.9 94 94 A H E -c 28 0A 17 -67,-2.9 -65,-2.1 -2,-0.4 2,-0.5 -0.834 28.7-154.0 -78.6 119.7 41.9 33.5 60.4 95 95 A V E -ce 29 123A 0 27,-2.9 29,-2.6 -2,-0.7 2,-0.5 -0.882 11.0-166.3-102.6 128.9 41.5 32.5 56.7 96 96 A V E -ce 30 124A 0 -67,-2.5 -65,-2.9 -2,-0.5 2,-0.4 -0.980 10.3-168.2-113.4 126.6 38.8 29.9 55.8 97 97 A V E +ce 31 125A 0 27,-2.8 29,-2.5 -2,-0.5 2,-0.3 -0.937 13.2 162.1-124.0 138.4 39.0 28.5 52.3 98 98 A Y E -c 32 0A 0 -67,-2.7 -65,-3.3 -2,-0.4 2,-0.3 -0.885 16.7-158.6-136.3 169.5 36.6 26.4 50.4 99 99 A D - 0 0 2 5,-0.3 31,-2.5 -2,-0.3 32,-0.5 -0.931 26.5-122.0-140.6 173.8 36.0 25.4 46.8 100 100 A G + 0 0 7 -2,-0.3 5,-0.1 30,-0.2 -68,-0.0 0.150 53.8 148.3-105.3 20.9 32.9 24.1 45.0 101 101 A D > - 0 0 24 1,-0.1 3,-2.0 3,-0.1 30,-0.3 -0.215 54.5-126.3 -57.1 145.3 34.3 20.8 43.7 102 102 A D T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 4,-0.0 0.815 111.1 59.0 -62.3 -28.6 31.8 17.9 43.5 103 103 A L T 3 S- 0 0 51 1,-0.1 -1,-0.3 117,-0.0 -2,-0.1 0.545 119.6-111.3 -75.7 -9.1 34.1 15.7 45.6 104 104 A G S < S+ 0 0 1 -3,-2.0 -5,-0.3 112,-0.1 2,-0.3 0.043 92.2 34.1 102.2 -27.3 33.8 18.3 48.4 105 105 A S + 0 0 6 24,-0.1 -5,-0.0 -5,-0.1 111,-0.0 -0.877 52.4 130.1-164.2 130.3 37.4 19.4 48.1 106 106 A F S S+ 0 0 58 -2,-0.3 4,-0.4 -5,-0.0 149,-0.1 0.458 85.1 18.2-141.1 -68.7 40.0 19.9 45.4 107 107 A Y S >> S+ 0 0 5 1,-0.2 4,-1.8 -72,-0.2 3,-0.7 0.743 103.6 81.7 -87.6 -22.3 41.9 23.3 45.4 108 108 A A H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.915 90.5 52.8 -53.3 -44.5 41.1 24.4 48.9 109 109 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.871 105.7 56.2 -60.6 -32.3 44.0 22.2 50.4 110 110 A R H <> S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.4 -2,-0.2 0.948 110.3 42.5 -63.8 -44.8 46.4 23.9 47.9 111 111 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.3 5,-0.2 0.905 111.3 56.3 -71.1 -33.4 45.5 27.4 49.2 112 112 A W H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.974 111.6 43.3 -55.9 -53.4 45.6 26.1 52.8 113 113 A W H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.875 109.0 58.7 -64.8 -37.2 49.2 24.9 52.1 114 114 A M H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.927 107.1 45.9 -59.0 -44.5 50.0 28.2 50.3 115 115 A F H ><>S+ 0 0 0 -4,-2.5 5,-2.8 -3,-0.2 3,-0.5 0.957 115.8 47.9 -60.1 -44.8 49.2 30.3 53.3 116 116 A R H ><5S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.3 -2,-0.2 0.896 109.0 51.0 -64.9 -38.9 51.2 27.8 55.4 117 117 A V H 3<5S+ 0 0 0 -4,-3.3 40,-3.2 1,-0.3 -1,-0.3 0.728 109.6 52.9 -75.8 -16.4 54.2 27.8 53.1 118 118 A F T <<5S- 0 0 2 -4,-1.3 37,-2.4 -3,-0.5 -1,-0.3 0.238 128.6 -99.1 -98.6 16.5 54.2 31.7 53.3 119 119 A G T < 5S+ 0 0 44 -3,-1.8 2,-0.7 35,-0.2 -3,-0.2 0.505 82.5 125.8 90.9 10.9 54.2 31.5 57.1 120 120 A H < + 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.875 28.2 177.0-106.9 115.5 50.5 32.0 58.0 121 121 A R + 0 0 78 -2,-0.7 2,-2.0 1,-0.2 -1,-0.2 0.736 58.5 85.5 -91.0 -20.8 49.2 29.3 60.2 122 122 A T + 0 0 31 -31,-0.2 -27,-2.9 -29,-0.1 2,-0.4 -0.495 64.2 117.3 -85.0 75.5 45.6 30.4 61.0 123 123 A V E - 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0 0 9 -3,-2.2 2,-0.4 -30,-0.1 -1,-0.3 -0.377 42.7-145.7 -63.5 152.7 56.7 6.8 44.5 208 208 A V E -i 179 0C 47 -30,-2.3 -28,-3.3 -2,-0.0 2,-0.6 -0.888 20.9-127.4-110.3 150.1 53.9 5.2 46.5 209 209 A N E +i 180 0C 10 -2,-0.4 -28,-0.2 -30,-0.2 -30,-0.1 -0.867 34.3 165.3-105.4 122.1 50.4 6.0 45.1 210 210 A M - 0 0 4 -30,-2.7 5,-0.1 -2,-0.6 -27,-0.1 -0.722 31.2-142.6-130.4 89.6 47.7 7.4 47.4 211 211 A P > - 0 0 12 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.222 13.7-133.4 -54.0 124.5 44.9 8.8 45.1 212 212 A F G > S+ 0 0 15 -31,-2.6 3,-1.9 1,-0.3 4,-0.2 0.769 98.5 67.4 -54.8 -27.3 43.6 12.0 46.9 213 213 A M G > S+ 0 0 78 1,-0.3 3,-1.7 -32,-0.3 -1,-0.3 0.792 85.5 70.4 -71.7 -20.1 40.0 11.1 46.5 214 214 A N G < S+ 0 0 74 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.634 88.2 66.0 -70.5 -14.9 40.3 8.2 48.9 215 215 A F G < S+ 0 0 0 -3,-1.9 8,-2.4 -4,-0.2 2,-0.3 0.550 94.1 71.3 -81.0 -7.1 40.8 10.8 51.7 216 216 A L B < S-L 222 0E 9 -3,-1.7 6,-0.2 6,-0.2 2,-0.1 -0.822 79.4-128.9-112.7 147.9 37.2 12.0 51.2 217 217 A T > - 0 0 39 4,-3.0 3,-2.3 -2,-0.3 -2,-0.1 -0.463 40.2 -96.0 -80.2 173.6 33.9 10.2 52.2 218 218 A E T 3 S+ 0 0 172 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.858 125.4 59.3 -59.5 -31.1 31.2 9.8 49.5 219 219 A D T 3 S- 0 0 66 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.518 120.9-104.1 -75.2 -6.3 29.6 12.9 51.1 220 220 A G S < S+ 0 0 0 -3,-2.3 -92,-0.6 1,-0.4 2,-0.2 0.495 79.5 126.7 97.9 4.8 32.6 15.2 50.5 221 221 A F - 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0 0 5 -5,-2.6 2,-0.7 -6,-0.2 -1,-0.2 -0.750 38.8-151.0 -91.2 119.9 53.5 5.0 54.3 238 238 A D > - 0 0 57 -2,-0.7 3,-1.8 4,-0.1 -61,-0.1 -0.799 5.9-156.4 -90.2 117.9 55.1 5.7 57.7 239 239 A L T 3 S+ 0 0 34 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.503 90.6 62.1 -75.5 -0.9 53.9 9.0 59.2 240 240 A T T 3 S+ 0 0 122 2,-0.1 -1,-0.3 25,-0.0 3,-0.1 0.576 95.1 74.7 -96.4 -7.5 57.0 9.2 61.4 241 241 A K S < S- 0 0 110 -3,-1.8 -65,-0.1 1,-0.1 -66,-0.0 -0.683 99.3 -83.1-100.3 156.3 59.3 9.4 58.4 242 242 A P - 0 0 55 0, 0.0 -65,-2.6 0, 0.0 2,-0.4 -0.214 49.8-167.8 -46.9 142.4 59.9 12.3 56.0 243 243 A L E -h 177 0C 1 24,-0.3 26,-2.1 -67,-0.3 2,-0.5 -0.992 17.0-167.9-145.2 132.1 57.3 12.6 53.2 244 244 A I E -hj 178 269C 1 -67,-3.1 -65,-3.0 -2,-0.4 2,-0.4 -0.974 16.1-150.4-116.6 132.7 57.1 14.6 50.0 245 245 A A E +hj 179 270C 0 24,-2.8 26,-2.8 -2,-0.5 2,-0.3 -0.842 22.1 170.0-106.1 140.1 53.7 14.7 48.3 246 246 A T E +h 180 0C 0 -67,-2.6 -65,-2.6 -2,-0.4 -64,-0.3 -0.925 9.4 147.2-140.9 166.4 53.7 15.1 44.6 247 247 A C - 0 0 6 24,-0.4 28,-2.9 -2,-0.3 29,-0.2 -0.681 66.8 -46.5-167.4-137.8 51.1 14.8 41.9 248 248 A R S S- 0 0 7 26,-0.2 28,-2.5 -2,-0.2 29,-0.3 0.956 125.1 -7.5 -78.1 -53.5 50.5 16.6 38.5 249 249 A K S S- 0 0 31 25,-0.2 25,-0.1 26,-0.2 -1,-0.1 -0.013 102.8 -86.2-138.9 26.2 51.1 20.3 39.5 250 250 A G S S+ 0 0 0 21,-0.2 4,-0.2 1,-0.0 22,-0.1 0.532 103.3 97.6 82.0 7.2 51.4 20.6 43.2 251 251 A V S > S+ 0 0 1 2,-0.1 3,-1.4 21,-0.1 4,-0.3 0.948 82.9 31.5 -97.7 -59.8 47.7 20.9 43.9 252 252 A T T >> S+ 0 0 7 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.753 106.2 75.8 -70.9 -17.2 46.1 17.5 45.0 253 253 A A H >> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-1.1 0.814 83.7 67.4 -56.9 -30.6 49.4 16.6 46.6 254 254 A C H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.3 -1,-0.3 0.781 87.1 66.2 -65.8 -21.9 48.2 19.1 49.3 255 255 A H H <> S+ 0 0 0 -3,-1.9 4,-2.5 -4,-0.3 -1,-0.3 0.865 99.2 51.6 -66.6 -31.5 45.5 16.6 50.2 256 256 A I H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 3,-0.7 0.913 110.1 53.7 -63.3 -38.3 48.8 13.9 57.3 261 261 A Y H ><5S+ 0 0 8 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.889 105.9 52.3 -62.0 -44.4 48.3 17.1 59.3 262 262 A L H 3<5S+ 0 0 43 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.735 106.7 55.1 -65.8 -20.1 45.0 15.8 60.7 263 263 A C T <<5S- 0 0 26 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.269 131.4 -94.7 -91.4 10.2 47.0 12.7 61.7 264 264 A G T < 5S+ 0 0 50 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.507 92.1 118.8 92.5 5.1 49.5 14.9 63.7 265 265 A K < + 0 0 14 -5,-2.9 3,-0.4 -6,-0.2 -2,-0.2 -0.852 30.4 170.7-107.4 102.3 52.1 15.2 60.9 266 266 A P + 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.528 61.6 69.7 -85.8 -7.3 52.5 19.0 60.1 267 267 A D + 0 0 84 -7,-0.1 2,-0.4 2,-0.1 -24,-0.3 -0.042 49.8 138.8-113.6 33.9 55.6 18.7 57.8 268 268 A V - 0 0 2 -3,-0.4 2,-0.3 -11,-0.2 -24,-0.2 -0.649 45.6-143.4 -71.4 127.9 54.7 17.0 54.5 269 269 A A E - j 0 244C 1 -26,-2.1 -24,-2.8 -2,-0.4 2,-0.5 -0.738 6.1-132.4 -93.9 146.8 56.5 19.0 51.9 270 270 A I E -gj 161 245C 0 -110,-2.2 -108,-2.5 -2,-0.3 2,-1.5 -0.866 4.6-141.0-101.6 126.7 54.9 19.6 48.5 271 271 A Y E -g 162 0C 0 -26,-2.8 -24,-0.4 -2,-0.5 -21,-0.2 -0.734 24.4-170.2 -78.9 96.0 56.9 19.1 45.3 272 272 A D S S+ 0 0 7 -2,-1.5 -1,-0.2 -110,-1.0 -109,-0.1 0.867 80.7 50.8 -62.7 -40.4 55.4 22.1 43.7 273 273 A G S > S+ 0 0 1 -111,-0.5 4,-2.0 -3,-0.1 3,-0.3 0.895 89.7 166.2 -62.6 -35.8 56.8 21.4 40.1 274 274 A S H > - 0 0 0 1,-0.2 4,-3.0 2,-0.2 3,-0.2 -0.030 58.6 -28.9 51.1-156.7 55.4 17.8 40.5 275 275 A W H > S+ 0 0 0 -28,-2.9 4,-2.9 1,-0.2 5,-0.4 0.873 135.2 61.5 -61.1 -37.7 55.0 15.5 37.5 276 276 A F H > S+ 0 0 27 -28,-2.5 4,-1.1 -3,-0.3 -1,-0.2 0.936 114.2 33.5 -58.0 -46.3 54.6 18.3 35.0 277 277 A E H X S+ 0 0 12 -4,-2.0 4,-1.6 -29,-0.3 5,-0.3 0.941 116.7 57.2 -75.9 -36.8 58.0 19.7 35.9 278 278 A W H >X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.3 3,-1.0 0.949 105.9 48.0 -58.7 -52.4 59.6 16.3 36.5 279 279 A F H 3< S+ 0 0 42 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.878 114.4 49.0 -52.6 -40.3 58.7 14.9 33.1 280 280 A H H 3< S+ 0 0 88 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.705 125.3 23.2 -77.8 -21.2 60.1 18.0 31.5 281 281 A R H << S+ 0 0 96 -4,-1.6 -2,-0.2 -3,-1.0 -3,-0.2 0.708 101.2 87.5-114.9 -29.7 63.4 18.2 33.4 282 282 A A S < S- 0 0 10 -4,-3.2 5,-0.0 -5,-0.3 -118,-0.0 -0.388 81.7-102.6 -77.5 149.4 64.3 14.7 34.6 283 283 A P > - 0 0 57 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.460 35.1-120.2 -52.5 138.6 66.2 11.9 32.7 284 284 A P G > S+ 0 0 80 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 0.818 109.9 71.8 -54.1 -30.7 63.6 9.3 31.5 285 285 A E G 3 S+ 0 0 137 1,-0.3 -3,-0.0 3,-0.0 -80,-0.0 0.637 85.2 68.0 -61.7 -15.5 65.5 6.7 33.6 286 286 A T G < S+ 0 0 10 -3,-2.2 -81,-3.0 -82,-0.1 2,-0.3 0.432 100.8 46.1 -86.9 -2.9 64.0 8.3 36.7 287 287 A W E < -K 204 0D 25 -3,-1.9 2,-0.3 -83,-0.3 -83,-0.2 -0.875 65.5-148.2-134.7 173.0 60.4 7.3 36.1 288 288 A V E -K 203 0D 61 -85,-2.4 -85,-2.5 -2,-0.3 2,-0.4 -0.994 6.3-171.1-143.2 145.9 58.4 4.3 35.1 289 289 A S B > -M 292 0F 18 3,-0.9 3,-1.2 -2,-0.3 -100,-0.3 -0.982 24.7-141.2-134.8 138.8 55.2 3.8 33.1 290 290 A Q T 3 S+ 0 0 137 -102,-3.1 -101,-0.2 -2,-0.4 -100,-0.1 0.822 112.3 58.2 -73.0 -24.7 53.4 0.4 32.9 291 291 A G T 3 S- 0 0 53 -103,-0.3 2,-1.4 -102,-0.3 -1,-0.3 0.012 121.0-122.3 -83.9 31.4 52.8 1.4 29.3 292 292 A K B < M 289 0F 179 -3,-1.2 -3,-0.9 0, 0.0 -1,-0.2 -0.513 360.0 360.0 60.6 -76.8 56.6 1.6 29.2 293 293 A G 0 0 84 -2,-1.4 -92,-0.0 -5,-0.1 -91,-0.0 -0.966 360.0 360.0 172.4 360.0 57.4 5.3 28.2