==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-SEP-10 3OYZ . COMPND 2 MOLECULE: MALATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOFERAX VOLCANII; . AUTHOR B.R.HOWARD,C BRACKEN,A.NEIGHBOR,G.THOMAS,K.K.LAMLENN,H.L.SCH . 376 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.9 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 . 0 0.0 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 . 19 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 3 2 3 1 0 0 2 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 R 0 0 138 0, 0.0 2,-0.2 0, 0.0 220,-0.1 0.000 360.0 360.0 360.0 -9.5 -13.9 -19.3 60.0 2 6 A H - 0 0 57 2,-0.2 177,-0.0 178,-0.1 176,-0.0 -0.716 360.0-107.3-114.2 160.1 -17.1 -19.5 57.9 3 7 A D S S+ 0 0 139 -2,-0.2 2,-1.0 1,-0.1 -1,-0.1 0.825 102.9 69.3 -52.1 -40.0 -18.8 -22.2 55.7 4 8 A R + 0 0 83 1,-0.2 -2,-0.2 218,-0.0 -1,-0.1 -0.785 55.0 178.6 -93.9 110.3 -17.9 -20.5 52.4 5 9 A E S S+ 0 0 156 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.817 76.1 29.1 -69.0 -32.2 -14.3 -20.6 51.8 6 10 A F - 0 0 109 216,-0.1 2,-0.4 244,-0.0 -1,-0.2 -0.982 64.6-165.9-131.1 145.1 -14.7 -18.8 48.5 7 11 A V + 0 0 2 -2,-0.3 3,-0.1 216,-0.2 -3,-0.0 -0.994 9.3 174.8-133.0 114.5 -17.4 -16.2 47.4 8 12 A R + 0 0 54 -2,-0.4 244,-1.8 1,-0.3 2,-0.4 0.807 68.2 30.0 -86.6 -34.1 -17.6 -15.5 43.6 9 13 A T E -a 252 0A 0 242,-0.2 32,-1.5 255,-0.1 2,-0.4 -0.990 50.4-174.0-142.1 137.7 -20.7 -13.2 43.5 10 14 A F E -ab 253 41A 0 242,-1.3 244,-2.7 -2,-0.4 2,-0.5 -0.967 23.1-169.3-132.5 102.7 -22.2 -10.8 46.0 11 15 A F E -ab 254 42A 8 30,-2.6 32,-3.2 -2,-0.4 2,-0.4 -0.880 7.2-156.8-109.5 120.6 -25.5 -9.6 44.5 12 16 A T E - b 0 43A 12 242,-1.4 -2,-0.0 -2,-0.5 30,-0.0 -0.794 7.7-171.9 -95.9 146.6 -27.5 -6.7 45.9 13 17 A S E - b 0 44A 4 30,-1.8 32,-2.4 -2,-0.4 36,-0.1 -0.981 31.6-110.8-129.2 133.8 -31.3 -6.3 45.4 14 18 A P E - b 0 45A 21 0, 0.0 13,-0.2 0, 0.0 3,-0.2 -0.324 23.6-150.4 -60.0 143.2 -33.4 -3.2 46.4 15 19 A T S S+ 0 0 0 30,-0.7 2,-0.3 1,-0.3 31,-0.1 0.692 78.0 16.8 -93.5 -16.8 -35.6 -4.2 49.3 16 20 A A - 0 0 2 8,-0.1 35,-0.4 33,-0.1 2,-0.4 -0.818 65.9-171.4-159.1 109.9 -38.5 -1.8 48.5 17 21 A V - 0 0 30 6,-1.4 298,-0.2 -2,-0.3 8,-0.1 -0.853 18.3-134.4-110.7 140.2 -39.2 0.1 45.2 18 22 A E S S+ 0 0 98 296,-1.7 2,-0.7 -2,-0.4 3,-0.1 -0.440 80.3 58.8 -91.9 167.7 -41.9 2.8 44.9 19 23 A G S S- 0 0 71 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 -0.715 97.0-159.2 110.6 -74.1 -44.5 3.3 42.1 20 24 A E + 0 0 125 -2,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.993 67.1 159.1 83.5 95.3 -45.6 -0.1 43.1 21 25 A D S S- 0 0 106 1,-0.3 2,-0.6 -3,-0.1 -2,-0.1 0.658 107.5 -9.6 -71.2 -92.4 -47.4 -3.1 42.2 22 26 A D > - 0 0 56 1,-0.1 3,-1.7 -4,-0.1 -1,-0.3 -0.927 65.2-153.6-111.4 112.7 -45.4 -5.1 44.9 23 27 A S T 3 S+ 0 0 9 -2,-0.6 -6,-1.4 1,-0.3 3,-0.4 0.829 96.7 58.1 -56.4 -29.9 -42.5 -3.1 46.5 24 28 A A T 3> S+ 0 0 0 1,-0.2 4,-2.4 -8,-0.2 3,-0.3 0.282 72.7 112.0 -75.7 9.4 -40.8 -6.5 47.3 25 29 A K H <> S+ 0 0 112 -3,-1.7 4,-2.3 1,-0.3 5,-0.3 0.937 73.8 50.1 -61.7 -48.6 -40.9 -7.5 43.6 26 30 A M H > S+ 0 0 79 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.887 113.5 46.6 -57.0 -36.6 -37.1 -7.4 43.1 27 31 A L H > S+ 0 0 1 -3,-0.3 4,-2.6 -13,-0.2 -1,-0.2 0.868 109.2 52.8 -69.6 -39.8 -36.5 -9.5 46.2 28 32 A R H X S+ 0 0 61 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.926 113.9 44.4 -62.9 -40.8 -39.1 -12.1 45.4 29 33 A R H >X S+ 0 0 184 -4,-2.3 3,-1.6 -5,-0.2 4,-0.7 0.952 113.0 48.3 -69.4 -46.0 -37.5 -12.6 42.0 30 34 A A H >< S+ 0 0 4 -4,-2.1 3,-1.1 1,-0.3 -2,-0.2 0.906 106.7 60.2 -65.3 -33.2 -33.9 -12.6 43.2 31 35 A A H 3< S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.698 101.7 53.0 -65.9 -18.1 -35.0 -15.1 45.8 32 36 A G H << S+ 0 0 35 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.548 80.7 118.4 -93.5 -5.6 -36.1 -17.6 43.1 33 37 A L << + 0 0 14 -3,-1.1 2,-0.3 -4,-0.7 5,-0.1 -0.241 41.4 179.7 -60.8 148.3 -32.8 -17.6 41.1 34 38 A R > + 0 0 108 39,-0.1 3,-1.5 4,-0.1 -2,-0.0 -0.945 38.2 3.1-149.5 163.3 -31.0 -21.0 40.9 35 39 A G G > S- 0 0 61 -2,-0.3 3,-2.1 1,-0.3 -2,-0.0 -0.329 127.7 -10.0 56.2-135.4 -27.9 -22.6 39.4 36 40 A M G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -2,-0.0 228,-0.2 0.691 135.6 62.8 -74.0 -12.9 -25.4 -20.3 37.7 37 41 A Q G < S+ 0 0 108 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.551 90.4 80.5 -83.4 -14.9 -28.0 -17.6 37.9 38 42 A A S < S- 0 0 6 -3,-2.1 2,-0.1 222,-0.1 -4,-0.1 -0.817 79.7-124.3-101.6 140.9 -28.0 -17.6 41.7 39 43 A P - 0 0 2 0, 0.0 37,-0.2 0, 0.0 3,-0.2 -0.415 11.2-129.2 -81.8 151.7 -25.2 -15.8 43.7 40 44 A D S S+ 0 0 9 1,-0.2 36,-2.6 35,-0.2 2,-0.4 0.887 105.0 24.5 -57.7 -33.6 -23.0 -17.3 46.3 41 45 A V E S-bc 10 76A 0 -32,-1.5 -30,-2.6 34,-0.2 2,-0.5 -0.984 75.6-161.9-137.4 125.0 -24.0 -14.4 48.6 42 46 A W E -bc 11 77A 2 34,-3.1 36,-2.3 -2,-0.4 -30,-0.2 -0.920 4.6-162.9-112.3 132.8 -27.2 -12.6 48.1 43 47 A V E -b 12 0A 0 -32,-3.2 -30,-1.8 -2,-0.5 2,-0.6 -0.808 10.7-156.1-119.5 93.1 -27.6 -9.2 49.7 44 48 A P E -b 13 0A 0 0, 0.0 36,-2.0 0, 0.0 2,-1.0 -0.565 30.0-141.2 -63.0 124.3 -31.0 -7.7 50.2 45 49 A D E +bd 14 80A 3 -32,-2.4 -30,-0.7 -2,-0.6 4,-0.1 -0.709 37.9 166.5-106.4 95.0 -30.0 -4.1 50.3 46 50 A N S S+ 0 0 0 34,-1.8 -1,-0.1 -2,-1.0 35,-0.1 0.372 72.6 58.1 -75.8 0.8 -31.7 -1.7 52.7 47 51 A E S > S- 0 0 10 33,-0.2 3,-2.3 34,-0.1 -32,-0.1 0.453 118.4 -6.9-103.4-116.6 -29.0 0.9 52.2 48 52 A D T 3 S+ 0 0 18 1,-0.3 287,-0.4 286,-0.1 -2,-0.1 0.662 127.2 60.9 -65.0 -18.5 -27.9 2.5 48.9 49 53 A A T 3 S+ 0 0 8 -4,-0.1 268,-0.6 -36,-0.1 267,-0.5 0.729 103.2 62.6 -70.1 -17.0 -30.1 0.3 46.7 50 54 A T S < S- 0 0 2 -3,-2.3 265,-0.1 266,-0.3 5,-0.1 -0.881 88.8-115.9-121.2 129.5 -33.2 1.6 48.5 51 55 A A > - 0 0 0 -35,-0.4 3,-1.1 -2,-0.4 4,-0.2 -0.367 31.1-120.2 -58.8 143.3 -34.6 5.2 48.7 52 56 A P G > S+ 0 0 69 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.911 112.1 54.5 -53.3 -46.3 -34.5 6.5 52.2 53 57 A S G 3 S+ 0 0 85 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.708 110.8 52.4 -63.3 -14.6 -38.3 7.1 52.6 54 58 A M G <> S+ 0 0 16 -3,-1.1 4,-2.6 1,-0.1 -1,-0.3 0.397 81.7 89.8-100.6 2.4 -38.6 3.5 51.6 55 59 A R H <> S+ 0 0 48 -3,-2.0 4,-1.9 2,-0.2 -1,-0.1 0.794 82.0 55.1 -84.6 -28.8 -36.3 1.7 54.1 56 60 A D H > S+ 0 0 96 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.939 113.8 42.5 -64.5 -39.0 -38.8 1.1 56.8 57 61 A E H > S+ 0 0 63 -4,-0.3 4,-3.1 1,-0.2 3,-0.3 0.935 110.1 60.4 -72.2 -37.6 -40.9 -0.8 54.3 58 62 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.883 101.8 50.8 -53.8 -40.3 -37.8 -2.4 52.9 59 63 A A H X S+ 0 0 6 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.862 110.5 48.7 -74.7 -31.9 -37.0 -4.0 56.3 60 64 A E H X S+ 0 0 124 -4,-1.3 4,-2.9 -3,-0.3 -2,-0.2 0.946 109.9 53.2 -61.2 -43.1 -40.5 -5.5 56.5 61 65 A N H X S+ 0 0 7 -4,-3.1 4,-3.0 1,-0.3 5,-0.3 0.886 106.0 54.0 -60.4 -41.9 -40.1 -6.7 52.9 62 66 A I H X S+ 0 0 1 -4,-2.3 4,-1.8 -5,-0.2 5,-0.4 0.915 110.3 45.0 -56.3 -49.2 -36.9 -8.4 54.0 63 67 A V H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.962 115.8 48.1 -59.9 -45.1 -38.6 -10.2 56.8 64 68 A E H X S+ 0 0 73 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.950 114.7 42.2 -62.6 -53.5 -41.5 -11.2 54.6 65 69 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.4 0.910 117.1 44.8 -62.4 -44.4 -39.6 -12.5 51.6 66 70 A I H X S+ 0 0 3 -4,-1.8 4,-1.7 -5,-0.3 5,-0.4 0.856 110.8 56.9 -72.0 -35.6 -36.9 -14.4 53.5 67 71 A S H < S+ 0 0 45 -4,-2.0 4,-0.3 -5,-0.4 -2,-0.2 0.981 117.7 32.4 -44.9 -57.1 -39.6 -15.8 55.7 68 72 A E H < S+ 0 0 124 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.837 137.7 16.1 -78.6 -33.6 -41.5 -17.3 52.6 69 73 A Q H >< S+ 0 0 50 -4,-3.0 3,-1.0 -5,-0.2 4,-0.3 0.500 94.3 90.1-121.5 -10.2 -38.6 -18.1 50.3 70 74 A G G >< S+ 0 0 7 -4,-1.7 3,-1.5 -5,-0.4 -3,-0.1 0.818 72.5 78.2 -70.7 -24.6 -35.3 -18.2 52.1 71 75 A A G 3 S+ 0 0 61 -5,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.824 107.3 26.1 -53.2 -36.8 -35.5 -21.8 53.0 72 76 A E G < S+ 0 0 134 -3,-1.0 -1,-0.3 -41,-0.1 -2,-0.2 0.200 82.5 126.8-113.8 14.3 -34.5 -23.1 49.5 73 77 A F < - 0 0 14 -3,-1.5 4,-0.1 -4,-0.3 -39,-0.1 -0.580 54.3-148.3 -62.4 129.7 -32.4 -20.1 48.4 74 78 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -40,-0.1 0.722 71.4 54.4 -85.2 -18.9 -29.3 -22.0 47.4 75 79 A G S S- 0 0 19 1,-0.1 2,-0.4 -36,-0.1 -34,-0.2 -0.046 100.1 -79.3 -84.8-159.3 -26.6 -19.3 48.2 76 80 A E E -c 41 0A 15 -36,-2.6 -34,-3.1 -37,-0.2 2,-0.5 -0.891 36.3-137.8-108.5 147.5 -26.2 -17.4 51.6 77 81 A I E +c 42 0A 3 34,-0.4 36,-2.6 -2,-0.4 37,-1.0 -0.853 30.5 160.3-108.0 125.4 -28.3 -14.5 52.6 78 82 A H - 0 0 0 -36,-2.3 37,-0.2 -2,-0.5 34,-0.1 -0.789 26.1-151.3-141.5 92.1 -26.7 -11.5 54.3 79 83 A P - 0 0 0 0, 0.0 37,-2.2 0, 0.0 2,-0.6 -0.333 15.2-122.4 -70.2 148.3 -28.8 -8.3 54.1 80 84 A R B -de 45 116A 10 -36,-2.0 -34,-1.8 35,-0.2 2,-0.2 -0.827 28.7-166.6 -92.0 124.7 -27.2 -4.8 54.1 81 85 A M - 0 0 1 35,-2.0 -34,-0.1 -2,-0.6 13,-0.1 -0.542 30.1 -93.3 -95.8 167.7 -28.3 -2.5 56.9 82 86 A V + 0 0 11 -2,-0.2 2,-0.3 -36,-0.1 -1,-0.1 -0.485 55.4 150.7 -80.4 152.6 -27.7 1.2 57.2 83 87 A W - 0 0 8 -2,-0.1 2,-0.3 11,-0.1 8,-0.1 -0.940 19.8-174.9-165.5 152.9 -24.6 2.4 59.1 84 88 A H > - 0 0 43 3,-0.3 3,-1.5 -2,-0.3 7,-0.3 -0.810 26.6-140.6-159.0 135.6 -22.2 5.2 59.1 85 89 A R T 3 S+ 0 0 22 34,-2.0 -1,-0.1 -2,-0.3 35,-0.1 0.711 107.4 42.2 -54.4 -31.4 -19.0 5.9 61.1 86 90 A D T 3 S+ 0 0 116 33,-0.2 -1,-0.3 1,-0.1 34,-0.0 0.353 105.0 70.2-104.1 7.7 -20.0 9.6 61.5 87 91 A S <> - 0 0 24 -3,-1.5 4,-2.3 1,-0.1 -3,-0.3 -0.843 48.5-176.1-130.1 101.9 -23.7 9.3 62.2 88 92 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.865 89.6 57.0 -60.1 -29.2 -25.0 7.9 65.5 89 93 A E H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.911 107.7 48.0 -69.4 -42.2 -28.6 8.1 64.2 90 94 A T H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 110.3 50.6 -66.3 -40.3 -27.7 5.9 61.3 91 95 A R H X S+ 0 0 33 -4,-2.3 4,-2.4 -7,-0.3 -1,-0.2 0.895 111.9 48.3 -59.6 -46.9 -25.9 3.3 63.4 92 96 A Y H X S+ 0 0 131 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.946 109.5 52.5 -62.9 -42.1 -29.0 3.2 65.7 93 97 A Q H X S+ 0 0 62 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.930 110.1 48.5 -58.7 -40.2 -31.4 2.8 62.8 94 98 A G H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.929 111.8 49.5 -74.7 -36.9 -29.3 -0.1 61.4 95 99 A F H X S+ 0 0 26 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.3 0.921 109.7 50.1 -63.6 -47.4 -29.2 -1.8 64.7 96 100 A Q H X S+ 0 0 68 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.949 111.1 50.5 -58.4 -40.7 -33.1 -1.4 65.2 97 101 A H H X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.888 110.5 48.6 -60.1 -38.9 -33.7 -2.9 61.8 98 102 A M H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.833 108.7 53.6 -72.0 -34.7 -31.4 -5.9 62.5 99 103 A L H < S+ 0 0 48 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.939 112.3 44.0 -62.4 -46.4 -33.1 -6.4 65.8 100 104 A D H >< S+ 0 0 90 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.958 111.8 53.7 -58.1 -51.8 -36.6 -6.5 63.9 101 105 A I H 3< S+ 0 0 0 -4,-2.6 8,-0.3 1,-0.3 7,-0.3 0.823 109.1 47.5 -57.2 -34.5 -35.3 -8.8 61.1 102 106 A T T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.383 70.3 130.3 -96.0 4.6 -34.0 -11.4 63.5 103 107 A D X - 0 0 44 -3,-1.6 3,-1.7 -4,-0.3 5,-0.5 -0.494 54.5-146.4 -54.1 117.3 -37.0 -11.8 65.7 104 108 A P G > S+ 0 0 50 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.750 93.1 68.6 -69.1 -24.1 -37.3 -15.6 65.6 105 109 A E G 3 S+ 0 0 180 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.747 94.6 59.7 -59.8 -24.7 -41.1 -15.5 65.8 106 110 A R G < S- 0 0 111 -3,-1.7 -1,-0.2 -6,-0.2 -3,-0.1 0.557 101.8-131.3 -89.8 -4.4 -41.0 -13.9 62.3 107 111 A G S < S+ 0 0 22 -3,-1.2 4,-0.1 -4,-0.2 -2,-0.1 0.472 79.9 99.1 71.1 4.7 -39.3 -16.9 60.6 108 112 A A > + 0 0 0 -5,-0.5 3,-2.2 -7,-0.3 -6,-0.1 0.877 67.7 65.5 -81.6 -33.9 -36.6 -14.9 58.7 109 113 A V G > S+ 0 0 12 -6,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.795 88.6 66.0 -70.2 -31.5 -33.6 -15.4 61.0 110 114 A E G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.715 108.2 42.1 -58.4 -20.7 -33.3 -19.2 60.5 111 115 A H G < S+ 0 0 55 -3,-2.2 2,-0.5 -4,-0.1 -34,-0.4 0.217 95.8 93.0-110.1 11.7 -32.4 -18.4 56.8 112 116 A I < - 0 0 11 -3,-1.8 -34,-0.2 -4,-0.1 3,-0.1 -0.904 47.7-173.6-105.9 124.0 -30.0 -15.4 57.4 113 117 A H - 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g 0 183A 0 -35,-2.8 2,-0.9 -2,-0.4 -32,-0.8 -0.855 18.8-146.2 -94.8 124.6 -17.9 -2.5 53.1 153 157 A I E + g 0 184A 0 30,-2.7 32,-2.5 -2,-0.5 36,-0.2 -0.829 46.3 138.7 -90.2 100.5 -14.4 -0.8 52.9 154 158 A E + 0 0 4 -2,-0.9 2,-0.3 -34,-0.4 38,-0.3 0.052 49.1 61.1-143.2 31.1 -15.3 2.5 51.5 155 159 A S S > S- 0 0 0 -34,-0.1 4,-1.9 1,-0.1 3,-0.3 -0.979 79.5-117.7-146.8 157.4 -13.2 5.0 53.4 156 160 A G H > S+ 0 0 19 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.880 115.6 54.6 -52.8 -41.9 -9.5 5.7 53.9 157 161 A E H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.855 108.4 46.7 -67.1 -38.9 -10.0 5.0 57.7 158 162 A A H > S+ 0 0 0 -38,-0.3 4,-0.8 -3,-0.3 -1,-0.2 0.809 108.5 56.3 -75.9 -35.0 -11.5 1.6 57.1 159 163 A E H >< S+ 0 0 30 -4,-1.9 3,-0.7 2,-0.2 4,-0.3 0.932 111.6 43.0 -57.6 -47.3 -8.8 0.7 54.6 160 164 A L H >< S+ 0 0 143 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 0.876 104.3 66.0 -63.7 -33.7 -6.1 1.5 57.3 161 165 A A H >< S+ 0 0 14 -4,-1.9 3,-0.9 1,-0.3 -1,-0.2 0.767 88.0 68.2 -64.8 -16.2 -8.2 -0.4 59.9 162 166 A M G X< S+ 0 0 8 -4,-0.8 3,-1.2 -3,-0.7 4,-0.3 0.807 83.1 78.4 -75.1 -16.2 -7.6 -3.7 58.0 163 167 A G G < S+ 0 0 65 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.759 104.9 25.8 -61.8 -31.4 -3.8 -3.5 59.0 164 168 A D G <> S+ 0 0 82 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.3 0.101 83.2 119.1-122.6 26.7 -4.2 -4.7 62.6 165 169 A L H <> + 0 0 2 -3,-1.2 4,-3.2 1,-0.2 5,-0.2 0.884 66.6 62.9 -68.2 -41.1 -7.4 -6.8 62.4 166 170 A R H > S+ 0 0 157 -4,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.919 111.6 34.7 -52.1 -53.1 -5.8 -10.1 63.4 167 171 A D H > S+ 0 0 85 -3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.834 116.1 54.5 -74.4 -31.1 -4.8 -8.9 66.9 168 172 A E H >< S+ 0 0 23 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.952 106.8 53.6 -63.3 -40.8 -7.9 -6.6 67.4 169 173 A M H 3< S+ 0 0 14 -4,-3.2 8,-0.3 1,-0.3 -1,-0.2 0.707 102.2 60.0 -63.4 -26.6 -10.1 -9.7 66.6 170 174 A G H 3< S+ 0 0 54 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.683 77.7 106.6 -74.6 -14.5 -8.3 -11.6 69.3 171 175 A K X< - 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0 0 116 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.297 44.3 -88.6 -66.3 158.3 -11.0 -22.7 35.1 270 274 A P - 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.222 19.5-124.3 -71.2 159.8 -11.6 -23.4 31.4 271 275 A K S S- 0 0 213 1,-0.2 2,-0.2 0, 0.0 0, 0.0 0.965 83.7 -41.1 -57.9 -55.0 -13.0 -26.6 29.7 272 276 A T S S+ 0 0 126 -3,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.804 81.9 51.4-144.9-172.9 -10.0 -26.8 27.5 273 277 A G + 0 0 63 -2,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.529 23.2 130.0 132.7-164.9 -7.6 -24.9 25.4 274 278 A S + 0 0 95 -2,-0.2 2,-0.4 1,-0.1 -1,-0.0 0.425 18.0 169.1 178.4 120.3 -5.7 -22.9 24.5 275 279 A W - 0 0 253 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.819 30.3-156.5 -96.7 140.4 -2.6 -21.2 23.0 276 280 A L - 0 0 135 -2,-0.4 2,-0.5 2,-0.0 0, 0.0 -0.937 7.3-151.7-119.4 145.4 -2.5 -17.4 22.5 277 281 A L - 0 0 163 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.982 8.1-168.7-117.4 124.2 -0.4 -15.4 20.0 278 282 A D + 0 0 146 -2,-0.5 2,-0.4 0, 0.0 -1,-0.1 0.398 46.9 114.4-104.1 -1.6 0.4 -11.9 21.3 279 283 A A 0 0 88 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.646 360.0 360.0 -74.5 126.4 1.9 -10.1 18.2 280 284 A D 0 0 211 -2,-0.4 -1,-0.0 0, 0.0 -3,-0.0 -0.204 360.0 360.0 25.2 360.0 -0.7 -7.5 17.5 281 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 282 328 A E > 0 0 207 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -22.6 -23.3 -5.6 17.9 283 329 A L H > + 0 0 133 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.791 360.0 64.5 -73.1 -37.7 -21.1 -3.1 16.3 284 330 A R H > S+ 0 0 150 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.910 97.4 55.1 -43.3 -51.2 -22.8 -0.8 18.8 285 331 A E H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 110.1 41.3 -60.5 -44.9 -21.1 -2.9 21.6 286 332 A E H < S+ 0 0 152 -4,-0.9 4,-0.4 1,-0.2 -1,-0.2 0.783 114.0 57.8 -74.3 -16.5 -17.5 -2.5 20.3 287 333 A L H >X S+ 0 0 69 -4,-2.1 4,-1.8 2,-0.2 3,-0.6 0.910 107.0 44.2 -70.3 -46.4 -18.4 1.2 19.6 288 334 A L H 3< S+ 0 0 36 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.876 108.6 59.8 -62.1 -42.0 -19.4 1.9 23.3 289 335 A G T 3< S+ 0 0 56 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.758 114.0 38.5 -51.0 -25.6 -16.2 -0.0 24.1 290 336 A L T <4 S+ 0 0 134 -3,-0.6 -2,-0.2 -4,-0.4 2,-0.2 0.690 105.6 70.6-106.2 -21.8 -14.5 2.7 22.1 291 337 A T < + 0 0 54 -4,-1.8 2,-0.3 -5,-0.0 0, 0.0 -0.621 50.5 177.0 -91.5 153.6 -16.3 6.0 23.0 292 338 A S - 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0 0 124 -5,-2.0 -1,-0.2 -298,-0.2 -2,-0.1 -0.926 33.8-178.8-109.8 120.4 -36.1 4.9 43.5 316 362 A G S S+ 0 0 9 -2,-0.6 2,-0.4 -267,-0.5 19,-0.3 0.891 72.8 31.6 -77.3 -44.9 -32.7 4.2 45.0 317 363 A A + 0 0 33 -268,-0.6 2,-0.3 17,-0.1 -1,-0.2 -0.979 66.5 168.8-121.8 136.7 -30.9 2.8 42.0 318 364 A I E -J 333 0B 13 15,-2.2 15,-3.1 -2,-0.4 2,-0.6 -0.955 37.1-119.2-140.5 149.7 -31.4 3.8 38.3 319 365 A A E -J 332 0B 44 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.870 35.0-156.7 -88.4 119.8 -29.6 3.2 35.0 320 366 A M E -J 331 0B 11 11,-3.2 11,-2.2 -2,-0.6 2,-0.4 -0.818 9.3-142.8-101.3 150.9 -28.7 6.6 33.7 321 367 A T E -J 330 0B 55 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.912 21.1-167.5-127.5 131.2 -28.0 7.2 30.0 322 368 A Q E -J 329 0B 69 7,-2.0 7,-3.1 -2,-0.4 2,-0.3 -0.997 23.7-168.2-111.6 125.5 -25.7 9.1 27.7 323 369 A S E +J 328 0B 91 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.900 11.0 165.0-117.0 139.6 -27.0 9.0 24.0 324 370 A A 0 0 60 3,-1.8 -2,-0.0 -2,-0.3 0, 0.0 -0.942 360.0 360.0-147.9 166.2 -25.2 10.1 20.8 325 371 A T 0 0 188 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.761 360.0 360.0 88.1 360.0 -24.7 10.2 17.0 326 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 327 381 A I 0 0 43 0, 0.0 -3,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.4 -25.2 4.6 20.7 328 382 A E E -J 323 0B 113 -5,-0.2 2,-0.5 -44,-0.0 -5,-0.2 -0.943 360.0-161.6-142.8 106.3 -26.5 4.4 24.3 329 383 A K E -J 322 0B 45 -7,-3.1 -7,-2.0 -2,-0.4 2,-0.4 -0.840 12.5-160.4 -97.0 123.1 -24.1 4.2 27.3 330 384 A D E +J 321 0B 28 -2,-0.5 -98,-0.4 -9,-0.2 2,-0.4 -0.873 13.1 175.6-107.4 137.6 -25.7 2.9 30.6 331 385 A R E -J 320 0B 26 -11,-2.2 -11,-3.2 -2,-0.4 2,-0.3 -0.994 32.6-119.6-139.1 131.2 -24.3 3.4 34.2 332 386 A M E -J 319 0B 20 -103,-2.5 2,-0.4 -2,-0.4 -13,-0.2 -0.563 34.9-164.1 -63.4 123.6 -26.0 2.4 37.5 333 387 A W E +J 318 0B 20 -15,-3.1 -15,-2.2 -2,-0.3 2,-0.3 -0.959 19.3 150.3-112.9 135.7 -26.5 5.5 39.7 334 388 A D > - 0 0 17 -2,-0.4 4,-2.3 -17,-0.2 3,-0.4 -0.826 63.5 -73.3-144.4-172.7 -27.3 5.7 43.3 335 389 A E H > S+ 0 0 45 -287,-0.4 4,-2.9 -19,-0.3 5,-0.2 0.850 130.4 53.6 -56.5 -37.9 -26.7 8.1 46.3 336 390 A A H > S+ 0 0 3 2,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.901 108.0 49.8 -61.0 -45.0 -23.0 7.1 46.3 337 391 A T H > S+ 0 0 2 -3,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.906 111.1 49.7 -62.1 -44.9 -22.7 8.0 42.7 338 392 A Y H X S+ 0 0 20 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.943 111.6 47.4 -55.0 -53.4 -24.3 11.3 43.3 339 393 A Q H >< S+ 0 0 62 -4,-2.9 3,-1.0 1,-0.2 4,-0.4 0.959 113.8 48.6 -58.0 -45.9 -21.9 12.0 46.2 340 394 A A H >< S+ 0 0 12 -4,-3.2 3,-1.0 1,-0.2 -1,-0.2 0.859 106.0 56.1 -61.5 -38.3 -18.9 11.0 44.1 341 395 A A H 3< S+ 0 0 26 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.700 94.5 70.6 -63.8 -24.0 -19.9 13.1 41.1 342 396 A M T XX S+ 0 0 26 -3,-1.0 4,-2.6 -4,-0.9 3,-0.6 0.671 72.6 89.3 -73.2 -17.8 -20.1 16.3 43.3 343 397 A T H <> S+ 0 0 21 -3,-1.0 4,-2.5 -4,-0.4 5,-0.2 0.893 84.1 50.0 -51.8 -49.2 -16.3 16.6 43.8 344 398 A P H 3> S+ 0 0 41 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.880 115.5 47.2 -60.3 -29.3 -15.4 18.7 40.7 345 399 A I H <> S+ 0 0 0 -3,-0.6 4,-3.1 -4,-0.4 -2,-0.2 0.904 109.3 51.4 -71.9 -48.0 -18.2 21.0 41.9 346 400 A S H X S+ 0 0 57 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.865 111.9 49.2 -57.6 -36.1 -17.1 21.2 45.5 347 401 A L H X S+ 0 0 88 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.923 110.0 49.7 -68.3 -47.1 -13.7 22.1 44.3 348 402 A F H X S+ 0 0 11 -4,-1.8 4,-2.9 -5,-0.2 3,-0.2 0.972 112.9 48.1 -55.5 -51.1 -15.0 24.8 42.0 349 403 A Q H X S+ 0 0 38 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.888 109.6 51.5 -55.4 -45.3 -17.0 26.2 44.9 350 404 A D H X S+ 0 0 95 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.872 113.1 46.7 -52.9 -47.5 -14.1 26.1 47.3 351 405 A V H X S+ 0 0 35 -4,-2.1 4,-1.8 -3,-0.2 -2,-0.2 0.902 112.5 47.7 -66.6 -47.6 -12.0 28.0 44.7 352 406 A Y H >< S+ 0 0 33 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.976 113.5 48.9 -58.5 -54.8 -14.7 30.6 44.0 353 407 A E H 3< S+ 0 0 135 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.786 123.1 30.7 -48.9 -35.5 -15.3 31.2 47.7 354 408 A N H 3< S+ 0 0 106 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.513 113.2 59.6-113.0 -8.5 -11.6 31.6 48.5 355 409 A R X< + 0 0 105 -4,-1.8 3,-2.7 -3,-0.5 4,-0.4 -0.515 49.3 159.9-120.9 62.1 -10.1 33.1 45.4 356 410 A P G > S+ 0 0 89 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.872 76.6 65.2 -51.1 -32.8 -12.0 36.5 44.7 357 411 A D G 3 S+ 0 0 97 1,-0.3 4,-0.2 -3,-0.2 -5,-0.1 0.421 101.1 48.8 -63.2 -7.1 -9.0 37.4 42.5 358 412 A Q G <> S+ 0 0 58 -3,-2.7 4,-1.9 -6,-0.2 -1,-0.3 0.374 79.8 100.3-112.8 -2.8 -10.0 34.6 40.1 359 413 A H H <> S+ 0 0 56 -3,-1.7 4,-1.8 -4,-0.4 -2,-0.1 0.814 83.1 49.9 -55.8 -30.0 -13.7 35.5 39.8 360 414 A E H > S+ 0 0 131 -4,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.933 110.3 45.6 -80.7 -53.2 -13.2 37.2 36.5 361 415 A E H > S+ 0 0 123 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.818 112.8 53.1 -60.9 -25.8 -11.2 34.5 34.7 362 416 A L H X S+ 0 0 20 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.890 109.1 49.1 -79.9 -38.0 -13.7 31.9 36.0 363 417 A E H X S+ 0 0 64 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.926 112.7 47.4 -58.2 -48.1 -16.5 34.0 34.5 364 418 A E H < S+ 0 0 137 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.949 115.2 46.9 -52.9 -49.6 -14.6 34.2 31.2 365 419 A R H < S+ 0 0 183 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.895 132.0 13.8 -66.7 -39.9 -14.0 30.4 31.3 366 420 A Y H < S- 0 0 70 -4,-2.8 4,-0.3 -5,-0.1 -3,-0.2 0.709 102.2-109.3-104.7 -28.5 -17.6 29.4 32.2 367 421 A G X - 0 0 30 -4,-2.4 4,-2.2 -5,-0.3 3,-0.3 0.248 33.5 -95.4 90.7 137.5 -20.0 32.3 31.7 368 422 A A H > S+ 0 0 57 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.617 123.8 55.4 -61.4 -17.7 -21.7 34.1 34.7 369 423 A G H > S+ 0 0 57 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.912 106.5 46.4 -83.2 -49.1 -24.7 31.9 34.4 370 424 A V H > S+ 0 0 33 -4,-0.3 4,-2.0 -3,-0.3 -2,-0.2 0.918 113.2 54.5 -55.8 -42.6 -22.9 28.5 34.6 371 425 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.873 107.0 46.6 -56.0 -46.0 -21.0 30.0 37.5 372 426 A E H < S+ 0 0 94 -4,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.839 110.9 53.9 -80.0 -26.8 -24.1 31.0 39.6 373 427 A R H >X S+ 0 0 70 -4,-1.9 3,-1.2 2,-0.2 4,-0.7 0.914 109.0 47.8 -64.0 -45.5 -25.7 27.6 38.9 374 428 A A H >< S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.3 -2,-0.2 0.927 105.3 59.4 -60.3 -49.9 -22.6 25.7 40.3 375 429 A M T 3< S+ 0 0 43 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.622 102.9 56.3 -56.9 -10.7 -22.5 27.9 43.3 376 430 A E T <4 S+ 0 0 155 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.771 78.3 110.6 -90.5 -32.1 -26.0 26.7 44.1 377 431 A V << 0 0 22 -3,-1.0 -76,-0.0 -4,-0.7 -3,-0.0 -0.056 360.0 360.0 -50.8 145.6 -25.6 22.9 44.2 378 432 A G 0 0 100 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.037 360.0 360.0 47.5 360.0 -25.8 20.9 47.6