==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-DEC-07 3BLF . COMPND 2 MOLECULE: CITRAMALATE SYNTHASE FROM LEPTOSPIRA INTERROGANS; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS; . AUTHOR P.ZHANG,J.MA . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.9 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 0 1 1 1 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A R 0 0 254 0, 0.0 2,-0.2 0, 0.0 254,-0.2 0.000 360.0 360.0 360.0 76.9 27.9 73.9 18.1 2 8 A L - 0 0 10 252,-2.3 254,-0.4 221,-0.0 2,-0.4 -0.625 360.0-124.2 -95.2 151.4 26.1 71.3 20.2 3 9 A E E -a 223 0A 51 219,-1.9 221,-2.8 -2,-0.2 2,-0.5 -0.750 19.9-150.7 -92.6 140.8 23.3 68.9 19.1 4 10 A I E -a 224 0A 0 -2,-0.4 36,-1.4 219,-0.2 2,-0.6 -0.962 6.8-163.5-114.9 125.4 20.1 69.0 21.2 5 11 A L E -ab 225 40A 0 219,-3.1 221,-1.8 -2,-0.5 2,-0.5 -0.934 10.3-147.1-110.5 116.2 18.1 65.8 21.3 6 12 A D E +ab 226 41A 0 34,-2.0 36,-3.0 -2,-0.6 221,-0.2 -0.704 20.5 175.1 -86.5 130.0 14.5 66.2 22.6 7 13 A V >>> + 0 0 0 219,-2.6 5,-2.0 -2,-0.5 4,-1.2 0.219 45.7 114.2-114.3 11.1 13.2 63.2 24.5 8 14 A T T 345S+ 0 0 0 218,-0.5 -1,-0.1 1,-0.2 219,-0.1 0.829 75.6 48.6 -52.2 -41.1 9.9 64.8 25.4 9 15 A L T 345S+ 0 0 0 33,-0.2 -1,-0.2 3,-0.2 11,-0.2 0.771 127.0 21.7 -76.6 -25.0 7.8 62.4 23.4 10 16 A R T <>5S+ 0 0 20 32,-0.8 4,-1.0 -3,-0.7 -2,-0.2 0.831 132.9 31.1-106.6 -66.1 9.4 59.2 24.7 11 17 A D T ><5S+ 0 0 4 -4,-1.2 3,-0.7 31,-0.3 4,-0.3 0.908 125.1 50.1 -61.8 -38.0 11.1 59.8 28.1 12 18 A G G >4 - 0 0 46 -2,-0.3 4,-2.9 251,-0.1 5,-0.2 -0.405 29.3-106.0 -80.0 163.5 -2.3 60.7 21.2 22 28 A T H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.930 125.1 48.3 -57.3 -46.5 -1.1 60.1 17.6 23 29 A S H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 111.5 52.3 -59.9 -38.4 -2.3 63.6 16.6 24 30 A E H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.918 111.0 45.4 -64.7 -44.5 -0.5 64.9 19.7 25 31 A K H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.893 113.3 49.7 -67.5 -39.2 2.8 63.3 18.8 26 32 A L H X S+ 0 0 46 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.964 113.7 45.9 -62.8 -50.3 2.7 64.4 15.2 27 33 A N H X S+ 0 0 73 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.938 116.2 44.6 -56.8 -52.3 1.9 68.0 16.2 28 34 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.887 113.3 50.5 -62.7 -41.0 4.6 68.1 18.9 29 35 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.947 110.6 49.8 -62.6 -47.4 7.2 66.4 16.7 30 36 A K H X>S+ 0 0 80 -4,-2.8 4,-2.8 -5,-0.2 5,-0.5 0.918 111.7 48.5 -56.9 -46.6 6.5 68.9 13.8 31 37 A F H X>S+ 0 0 14 -4,-2.3 5,-2.3 -5,-0.2 4,-1.8 0.922 112.2 47.5 -62.0 -46.5 6.9 71.8 16.1 32 38 A L H <5S+ 0 0 2 -4,-2.3 6,-3.3 3,-0.2 5,-0.2 0.882 119.6 38.1 -63.3 -41.5 10.1 70.7 17.7 33 39 A L H <5S+ 0 0 2 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.924 129.1 29.6 -77.7 -44.5 11.8 69.9 14.4 34 40 A Q H <5S+ 0 0 81 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.915 132.2 22.5 -85.0 -46.4 10.5 72.7 12.3 35 41 A K T < - c 0 75A 13 -2,-0.3 3,-1.2 29,-0.2 31,-0.2 -0.895 44.5-111.9-108.6 137.2 10.1 53.1 22.6 46 52 A A T 3 S+ 0 0 2 29,-2.9 3,-0.1 -2,-0.4 37,-0.1 -0.297 94.9 20.8 -67.6 148.8 10.1 49.9 20.4 47 53 A R T 3 S+ 0 0 124 1,-0.3 -1,-0.2 36,-0.2 2,-0.2 0.578 79.4 148.1 67.9 5.2 7.6 47.1 21.0 48 54 A V S < S- 0 0 53 -3,-1.2 -1,-0.3 1,-0.1 5,-0.2 -0.642 72.0 -66.5 -57.1 149.0 5.4 49.3 22.9 49 55 A S > - 0 0 100 -2,-0.2 3,-2.1 3,-0.1 4,-0.2 0.027 69.7 -94.2 -41.2 120.3 1.8 48.0 22.2 50 56 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.006 113.9 64.7 -39.9 165.8 1.1 48.5 18.6 51 57 A G T 3> S+ 0 0 23 -3,-0.1 4,-3.1 -29,-0.0 -1,-0.3 -0.593 98.4 64.8 93.8 -57.6 -0.8 51.8 17.9 52 58 A E H <> S+ 0 0 28 -3,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.868 100.1 51.9 -61.5 -32.1 2.5 53.2 19.1 53 59 A L H > S+ 0 0 13 -4,-0.2 4,-2.1 -5,-0.2 -1,-0.2 0.925 108.1 49.6 -67.8 -45.3 3.8 51.5 16.0 54 60 A E H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.918 107.8 54.6 -59.6 -44.3 1.1 53.2 13.9 55 61 A T H X S+ 0 0 7 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.962 109.1 46.4 -53.7 -56.5 2.0 56.6 15.5 56 62 A V H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.873 110.5 55.0 -55.2 -39.4 5.6 56.3 14.5 57 63 A Q H X S+ 0 0 65 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.916 109.5 45.4 -61.0 -45.2 4.6 55.2 11.0 58 64 A K H X S+ 0 0 100 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.948 114.1 48.6 -64.5 -47.7 2.5 58.3 10.5 59 65 A I H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.885 113.1 48.4 -59.6 -38.5 5.2 60.5 11.8 60 66 A M H X S+ 0 0 10 -4,-2.8 4,-2.0 30,-0.3 -1,-0.2 0.892 107.6 55.0 -68.3 -38.7 7.7 58.8 9.6 61 67 A E H X S+ 0 0 139 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.926 115.0 40.2 -58.6 -45.1 5.3 59.2 6.6 62 68 A W H >X S+ 0 0 25 -4,-2.4 4,-1.4 1,-0.2 3,-1.1 0.971 110.4 56.5 -67.0 -55.4 5.3 62.9 7.3 63 69 A A H 3<>S+ 0 0 0 -4,-3.4 5,-2.3 1,-0.3 4,-0.2 0.809 101.5 59.5 -46.4 -35.2 9.0 63.2 8.1 64 70 A A H ><5S+ 0 0 53 -4,-2.0 3,-1.7 1,-0.2 -1,-0.3 0.942 102.0 54.3 -59.2 -47.6 9.7 61.7 4.7 65 71 A T H <<5S+ 0 0 87 -4,-1.1 -2,-0.2 -3,-1.1 -1,-0.2 0.912 108.7 46.2 -50.9 -52.8 7.8 64.6 3.1 66 72 A E T 3<5S- 0 0 78 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.351 114.3-115.5 -77.8 7.6 9.9 67.3 4.8 67 73 A Q T < 5S+ 0 0 163 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.934 86.2 105.0 59.5 49.4 13.2 65.4 4.0 68 74 A L > < + 0 0 22 -5,-2.3 3,-0.5 -8,-0.1 -4,-0.2 -0.187 19.2 129.9-155.9 56.7 14.1 64.7 7.5 69 75 A T G > S+ 0 0 43 1,-0.2 3,-1.1 -5,-0.1 24,-0.6 0.723 72.6 65.8 -81.0 -23.7 13.6 61.0 8.4 70 76 A E G 3 S+ 0 0 91 1,-0.2 -1,-0.2 -7,-0.1 -2,-0.0 0.544 90.0 67.1 -75.5 -7.4 17.1 60.7 9.8 71 77 A R G < S+ 0 0 70 -3,-0.5 -30,-2.6 -31,-0.1 2,-0.4 0.518 83.5 87.2 -89.8 -7.4 16.2 63.2 12.6 72 78 A I E < -c 41 0A 0 -3,-1.1 21,-0.4 -32,-0.2 22,-0.3 -0.805 59.0-170.7 -98.6 132.2 13.7 60.8 14.3 73 79 A E E -c 42 0A 2 -32,-3.1 -30,-1.1 -2,-0.4 -29,-0.8 -0.932 10.5-153.1-126.4 148.9 15.0 58.3 16.9 74 80 A I E -c 44 0A 0 20,-1.5 -29,-0.2 -2,-0.3 -32,-0.1 -0.947 21.8-123.8-124.8 117.1 13.5 55.3 18.6 75 81 A L E -c 45 0A 8 -31,-2.1 -29,-2.9 -2,-0.5 2,-0.3 -0.333 42.9-179.6 -56.4 126.1 14.4 53.9 22.1 76 82 A G E -d 97 0A 0 20,-2.4 22,-2.6 -31,-0.2 2,-0.2 -0.842 16.1-134.7-128.5 167.3 15.3 50.3 21.5 77 83 A F E -d 98 0A 69 -2,-0.3 2,-1.4 20,-0.2 6,-0.2 -0.740 27.5-102.8-122.5 167.3 16.4 47.2 23.5 78 84 A V S S+ 0 0 38 20,-0.6 43,-0.1 -2,-0.2 3,-0.1 -0.697 72.1 123.7 -85.5 89.7 18.9 44.3 23.5 79 85 A D S > S- 0 0 35 -2,-1.4 2,-1.0 1,-0.2 3,-0.9 0.111 71.1-117.0-137.8 21.0 16.5 41.6 22.5 80 86 A G T 3 S- 0 0 18 1,-0.2 4,-0.3 40,-0.2 -1,-0.2 -0.660 85.8 -9.4 83.9-102.6 18.0 40.1 19.4 81 87 A N T 3> S+ 0 0 72 -2,-1.0 4,-2.3 2,-0.1 -1,-0.2 0.723 115.4 80.7-105.5 -27.7 15.6 40.7 16.5 82 88 A K H <> S+ 0 0 120 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.892 95.3 42.9 -49.3 -55.0 12.5 42.0 18.1 83 89 A T H > S+ 0 0 0 1,-0.2 4,-2.4 -6,-0.2 5,-0.3 0.969 116.1 47.6 -59.5 -53.3 13.5 45.7 18.5 84 90 A V H > S+ 0 0 0 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.805 111.3 51.9 -59.9 -29.3 15.1 46.0 15.1 85 91 A D H X S+ 0 0 45 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.952 109.0 49.6 -70.9 -47.6 12.1 44.4 13.4 86 92 A W H X S+ 0 0 20 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 114.0 44.9 -57.3 -44.6 9.7 46.8 15.1 87 93 A I H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 5,-0.5 0.838 109.5 55.6 -70.9 -31.4 11.7 49.8 14.1 88 94 A K H < S+ 0 0 88 -4,-1.7 3,-0.3 -5,-0.3 -2,-0.2 0.940 112.9 43.4 -63.3 -44.7 12.1 48.4 10.5 89 95 A D H < S+ 0 0 102 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.870 105.5 62.4 -65.4 -42.3 8.3 48.3 10.4 90 96 A S H < S- 0 0 1 -4,-2.4 -30,-0.3 -5,-0.2 -1,-0.2 0.818 106.8-123.1 -55.1 -34.9 7.8 51.7 12.0 91 97 A G < + 0 0 29 -4,-1.3 -1,-0.1 1,-0.4 -3,-0.1 0.166 66.4 138.0 106.0 -14.5 9.6 53.3 9.1 92 98 A A - 0 0 0 -5,-0.5 -1,-0.4 1,-0.1 -22,-0.1 -0.250 42.0-159.5 -63.9 151.6 12.1 54.9 11.5 93 99 A K + 0 0 71 -24,-0.6 41,-1.2 -21,-0.4 2,-0.4 0.356 64.4 66.0-114.9 1.2 15.8 54.9 10.6 94 100 A V B -i 134 0B 5 -22,-0.3 -20,-1.5 39,-0.2 41,-0.2 -0.989 52.3-168.9-134.3 141.2 17.6 55.4 13.9 95 101 A L - 0 0 0 39,-2.8 -21,-0.3 -2,-0.4 40,-0.2 0.957 8.8-162.9 -89.2 -81.0 17.9 53.2 17.0 96 102 A N - 0 0 0 40,-0.3 -20,-2.4 -21,-0.2 2,-0.3 0.908 30.1-143.0 82.5 73.5 19.3 54.5 20.3 97 103 A L E -de 76 137A 0 39,-3.4 41,-3.4 -22,-0.2 2,-0.9 -0.549 1.6-134.8 -76.6 131.8 20.0 51.1 21.9 98 104 A L E +de 77 138A 27 -22,-2.6 -20,-0.6 -2,-0.3 2,-0.3 -0.772 35.0 170.2 -89.3 104.2 19.5 50.8 25.6 99 105 A T E - e 0 139A 0 39,-1.9 41,-2.0 -2,-0.9 2,-0.5 -0.852 41.8 -99.2-114.8 153.0 22.5 48.9 27.1 100 106 A K E - e 0 140A 25 -2,-0.3 41,-0.1 39,-0.2 39,-0.1 -0.576 33.1-174.5 -72.1 117.8 23.4 48.4 30.8 101 107 A G + 0 0 0 39,-2.7 2,-0.4 -2,-0.5 -1,-0.1 0.281 63.7 60.5 -97.3 9.5 26.0 51.0 31.8 102 108 A S S > S- 0 0 2 1,-0.1 4,-2.5 38,-0.1 3,-0.3 -0.997 73.8-136.4-139.2 134.0 26.7 49.7 35.3 103 109 A L H > S+ 0 0 54 -2,-0.4 4,-1.6 1,-0.2 5,-0.2 0.873 109.0 57.6 -53.9 -37.0 28.0 46.3 36.3 104 110 A H H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 108.6 43.8 -60.4 -46.5 25.4 46.4 39.1 105 111 A H H > S+ 0 0 30 -3,-0.3 4,-1.5 1,-0.2 5,-0.4 0.931 108.1 58.5 -63.5 -47.9 22.6 46.8 36.6 106 112 A L H X>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 4,-1.2 0.834 114.4 37.2 -50.8 -39.1 23.9 44.1 34.2 107 113 A E H <5S+ 0 0 96 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.907 114.1 50.2 -84.8 -44.3 23.8 41.5 36.9 108 114 A K H <5S+ 0 0 134 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.614 125.2 29.7 -72.3 -9.9 20.6 42.3 38.8 109 115 A Q H <5S+ 0 0 101 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.652 139.3 11.9-119.5 -26.6 18.6 42.5 35.6 110 116 A L T <5S- 0 0 72 -4,-1.2 -3,-0.2 -5,-0.4 -2,-0.1 0.682 75.7-145.2-120.5 -40.8 20.3 40.1 33.1 111 117 A G < + 0 0 52 -5,-1.7 2,-0.3 1,-0.2 -4,-0.2 0.913 52.5 135.0 71.3 42.3 22.7 38.0 35.1 112 118 A K - 0 0 68 -6,-0.8 -1,-0.2 2,-0.0 -2,-0.1 -0.781 58.7-102.8-120.8 166.5 25.2 37.8 32.2 113 119 A T > - 0 0 74 -2,-0.3 4,-3.4 1,-0.1 5,-0.4 -0.554 33.7-114.1 -85.0 148.6 28.9 38.2 31.8 114 120 A P H > S+ 0 0 40 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.940 123.8 41.5 -47.1 -47.4 30.3 41.4 30.3 115 121 A K H > S+ 0 0 167 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.842 113.0 54.8 -67.6 -34.1 31.5 39.4 27.4 116 122 A E H >> S+ 0 0 103 2,-0.2 4,-1.1 1,-0.2 3,-0.7 0.970 115.4 37.5 -61.8 -54.2 28.2 37.4 27.4 117 123 A F H 3X S+ 0 0 2 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.852 108.4 63.1 -67.4 -37.5 26.1 40.6 27.2 118 124 A F H 3X S+ 0 0 20 -4,-2.7 4,-2.0 -5,-0.4 -1,-0.2 0.751 101.2 55.7 -60.5 -21.7 28.6 42.3 24.8 119 125 A T H S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.944 110.9 44.7 -65.8 -49.3 20.2 46.8 12.9 129 135 A I H ><5S+ 0 0 62 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.900 111.9 54.2 -60.8 -38.9 22.9 47.9 10.4 130 136 A K H 3<5S+ 0 0 164 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.867 107.5 51.5 -62.0 -35.9 21.9 44.9 8.3 131 137 A S T 3<5S- 0 0 27 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.241 125.4-100.3 -87.0 13.0 18.3 46.2 8.4 132 138 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.570 79.9 127.6 83.9 8.9 19.3 49.7 7.2 133 139 A L < - 0 0 9 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.384 51.4-135.0 -93.6 173.2 19.2 51.5 10.6 134 140 A K B -i 94 0B 83 -41,-1.2 -39,-2.8 -2,-0.1 2,-0.4 -0.896 24.9-135.5-121.2 152.7 21.8 53.7 12.4 135 141 A I - 0 0 1 29,-0.3 31,-3.1 -2,-0.3 32,-0.7 -0.946 21.7-178.6-126.9 134.4 22.6 53.1 16.0 136 142 A N E - f 0 167A 0 -2,-0.4 -39,-3.4 30,-0.2 2,-0.5 -0.922 25.5-139.8-115.0 144.3 23.1 55.4 19.1 137 143 A V E -ef 97 168A 0 30,-2.9 32,-4.2 -2,-0.4 2,-0.4 -0.928 8.1-156.1-121.0 126.5 23.9 53.7 22.3 138 144 A Y E -ef 98 169A 7 -41,-3.4 -39,-1.9 -2,-0.5 2,-0.9 -0.742 8.5-152.6 -88.1 134.5 22.7 54.5 25.8 139 145 A L E > -e 99 0A 1 30,-1.8 3,-1.5 -2,-0.4 -39,-0.2 -0.665 28.4-149.3-104.9 72.2 24.9 53.5 28.7 140 146 A E E 3 S+e 100 0A 35 -41,-2.0 -39,-2.7 -2,-0.9 -35,-0.1 -0.056 75.2 11.1 -44.3 139.4 22.0 53.2 31.1 141 147 A D T >> S+ 0 0 4 -41,-0.1 4,-1.6 -40,-0.1 3,-1.5 0.712 81.8 145.6 60.8 23.7 22.8 53.9 34.7 142 148 A W H <> + 0 0 0 -3,-1.5 4,-2.4 29,-0.5 5,-0.3 0.802 60.8 67.8 -59.8 -31.6 26.2 55.2 33.6 143 149 A S H 34 S+ 0 0 0 28,-1.2 -1,-0.3 1,-0.2 29,-0.1 0.773 112.3 32.9 -62.0 -24.6 26.1 57.8 36.4 144 150 A N H <> S+ 0 0 34 -3,-1.5 4,-1.7 2,-0.1 5,-0.5 0.638 114.2 65.0-100.5 -20.5 26.5 54.9 38.9 145 151 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 8,-0.3 0.950 101.8 42.3 -68.3 -52.5 28.6 52.9 36.4 146 152 A F H < S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.1 0.641 119.6 46.6 -72.9 -11.2 31.7 55.0 36.2 147 153 A R H 4 S+ 0 0 90 -5,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.730 127.8 21.3 -99.5 -25.9 31.7 55.7 39.9 148 154 A N H < S+ 0 0 121 -4,-1.7 -3,-0.2 -3,-0.1 -2,-0.2 0.770 139.4 18.4-110.0 -40.3 31.1 52.1 41.1 149 155 A S X + 0 0 14 -4,-2.0 4,-1.8 -5,-0.5 -46,-0.2 -0.383 66.9 157.1-131.4 56.4 32.2 49.7 38.3 150 156 A P H > S+ 0 0 65 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.717 73.6 59.9 -53.5 -25.5 34.4 52.0 36.1 151 157 A D H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.989 104.6 46.6 -66.9 -58.7 36.1 48.9 34.8 152 158 A Y H > S+ 0 0 7 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.864 114.3 50.5 -48.6 -41.1 32.9 47.4 33.4 153 159 A V H X S+ 0 0 4 -4,-1.8 4,-2.1 -8,-0.3 -1,-0.3 0.887 107.3 51.9 -67.2 -40.7 32.2 50.8 31.9 154 160 A K H X S+ 0 0 95 -4,-2.0 4,-1.8 -3,-0.4 -2,-0.2 0.845 111.1 47.4 -66.7 -34.0 35.6 51.2 30.3 155 161 A S H X S+ 0 0 41 -4,-2.1 4,-3.9 2,-0.2 5,-0.2 0.898 109.9 52.9 -73.2 -40.8 35.3 47.8 28.5 156 162 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.909 113.2 43.1 -60.5 -44.8 31.8 48.5 27.3 157 163 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.888 114.2 52.5 -68.5 -37.2 32.9 51.8 25.8 158 164 A E H >X S+ 0 0 84 -4,-1.8 4,-0.6 -5,-0.2 3,-0.5 0.970 112.0 44.8 -59.9 -53.6 36.0 50.0 24.5 159 165 A H H >X S+ 0 0 33 -4,-3.9 3,-0.9 1,-0.2 4,-0.5 0.857 111.1 55.3 -58.4 -38.0 33.8 47.3 22.9 160 166 A L H >< S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.2 5,-0.4 0.806 97.0 61.4 -68.3 -32.0 31.4 50.0 21.5 161 167 A S H << S+ 0 0 53 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.690 101.6 56.2 -68.3 -16.1 34.2 51.9 19.7 162 168 A K H << S+ 0 0 146 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.698 97.0 77.4 -85.6 -22.0 34.7 48.7 17.7 163 169 A E S << S- 0 0 34 -3,-0.8 2,-1.4 -4,-0.5 -41,-0.0 -0.502 93.7-110.1 -86.0 157.2 31.0 48.6 16.6 164 170 A H + 0 0 151 -2,-0.2 -29,-0.3 -30,-0.0 2,-0.3 -0.571 63.1 143.7 -91.5 76.2 29.7 50.9 13.8 165 171 A I - 0 0 32 -2,-1.4 -29,-0.2 -5,-0.4 3,-0.1 -0.736 49.9-138.2-113.4 160.1 27.5 53.3 15.8 166 172 A E S S- 0 0 88 -31,-3.1 31,-0.3 -2,-0.3 2,-0.3 0.918 76.3 -6.2 -81.8 -49.6 26.8 57.0 15.6 167 173 A R E -f 136 0A 37 -32,-0.7 -30,-2.9 29,-0.1 2,-0.4 -0.963 52.2-134.3-147.5 163.0 26.9 58.2 19.2 168 174 A I E -fg 137 198A 1 29,-2.3 31,-1.8 -2,-0.3 2,-0.5 -0.981 22.8-147.1-120.3 130.4 27.2 57.1 22.8 169 175 A F E -fg 138 199A 0 -32,-4.2 -30,-1.8 -2,-0.4 31,-0.2 -0.851 4.3-159.4-101.4 133.8 24.8 58.5 25.3 170 176 A L E - g 0 200A 0 29,-3.1 31,-1.7 -2,-0.5 2,-0.3 -0.848 21.0-174.4-112.7 91.0 26.0 59.1 28.9 171 177 A P E - g 0 201A 4 0, 0.0 -28,-1.2 0, 0.0 2,-0.9 -0.680 32.8-147.1 -93.1 143.2 22.8 59.3 31.0 172 178 A D > + 0 0 0 29,-2.1 3,-4.1 -2,-0.3 31,-0.3 -0.486 32.5 179.8 -96.9 57.2 22.5 60.1 34.7 173 179 A T T 3 S+ 0 0 30 -2,-0.9 -1,-0.2 1,-0.3 -33,-0.1 0.729 76.2 34.6 -27.8 -51.9 19.6 57.7 34.7 174 180 A L T 3 S- 0 0 70 -3,-0.2 -1,-0.3 29,-0.1 28,-0.1 0.310 108.3-122.5 -94.4 8.3 18.8 58.1 38.4 175 181 A G < + 0 0 3 -3,-4.1 -2,-0.1 1,-0.1 31,-0.1 0.917 68.2 132.6 51.1 57.0 19.8 61.8 38.5 176 182 A V + 0 0 42 29,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.488 31.5 108.5-113.8 -7.1 22.4 61.5 41.2 177 183 A L - 0 0 2 -5,-0.1 35,-0.1 26,-0.1 29,-0.1 -0.448 53.0-148.3 -79.9 147.0 25.4 63.3 39.8 178 184 A S > - 0 0 29 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.664 39.1-101.6 -99.1 161.3 26.8 66.7 41.0 179 185 A P H > S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.857 122.9 57.0 -54.4 -35.0 28.4 68.9 38.3 180 186 A E H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.978 110.0 42.1 -57.6 -59.0 31.8 67.9 39.6 181 187 A E H > S+ 0 0 46 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.873 110.5 56.9 -57.0 -41.8 31.1 64.2 39.0 182 188 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.902 109.6 46.5 -58.6 -39.4 29.4 64.9 35.7 183 189 A F H X S+ 0 0 42 -4,-2.1 4,-2.0 -3,-0.3 -1,-0.2 0.869 113.3 49.5 -70.4 -36.2 32.6 66.6 34.6 184 190 A Q H X S+ 0 0 115 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.991 113.4 43.8 -64.2 -61.6 34.8 63.7 35.9 185 191 A G H X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.889 117.4 44.9 -51.0 -47.5 32.8 60.9 34.3 186 192 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 3,-0.3 0.917 113.2 50.8 -66.2 -41.6 32.5 62.7 30.9 187 193 A D H X S+ 0 0 49 -4,-2.0 4,-1.7 -5,-0.3 5,-0.2 0.841 103.2 61.4 -63.7 -33.7 36.2 63.7 31.0 188 194 A S H X S+ 0 0 51 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.899 114.6 32.3 -59.8 -42.5 37.1 60.1 31.7 189 195 A L H X S+ 0 0 3 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.842 114.0 56.3 -87.3 -36.0 35.6 58.9 28.4 190 196 A I H < S+ 0 0 30 -4,-2.6 6,-0.2 1,-0.2 -2,-0.2 0.867 107.5 51.1 -66.0 -33.3 36.2 61.9 26.1 191 197 A Q H < S+ 0 0 142 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.910 112.6 44.7 -69.9 -40.6 40.0 61.8 26.8 192 198 A K H < S+ 0 0 110 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.939 127.1 28.7 -68.5 -47.0 40.3 58.1 26.0 193 199 A Y >< + 0 0 20 -4,-2.4 3,-1.7 1,-0.1 -1,-0.3 -0.647 69.1 168.2-116.6 75.5 38.2 58.2 22.9 194 200 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.520 75.1 56.5 -64.0 -6.6 38.6 61.8 21.5 195 201 A D T 3 S+ 0 0 135 -3,-0.1 2,-0.3 2,-0.0 -5,-0.1 0.240 86.6 97.2-111.2 12.2 37.0 60.9 18.2 196 202 A I S < S- 0 0 31 -3,-1.7 2,-0.8 -6,-0.2 -29,-0.1 -0.679 72.9-124.9 -99.9 156.1 33.7 59.6 19.5 197 203 A H + 0 0 37 -31,-0.3 -29,-2.3 -2,-0.3 2,-0.3 -0.870 34.7 178.8-102.7 101.6 30.4 61.6 19.8 198 204 A F E -g 168 0A 2 -2,-0.8 24,-2.5 -31,-0.2 25,-1.0 -0.792 8.0-166.6-102.2 148.2 29.2 61.5 23.4 199 205 A E E -gh 169 223A 0 -31,-1.8 -29,-3.1 -2,-0.3 2,-0.3 -0.982 16.3-130.9-132.6 144.4 26.1 63.2 24.6 200 206 A F E -gh 170 224A 0 23,-1.9 25,-2.4 -2,-0.4 2,-0.3 -0.737 18.2-175.4 -94.7 147.5 25.0 63.9 28.1 201 207 A H E -g 171 0A 6 -31,-1.7 -29,-2.1 -2,-0.3 2,-0.1 -0.765 16.7-179.0-142.1 86.4 21.4 63.0 29.2 202 208 A G - 0 0 1 23,-0.4 36,-1.5 -2,-0.3 2,-0.3 -0.470 19.2-140.1 -93.3 164.1 20.8 64.2 32.8 203 209 A H B -J 237 0C 9 -31,-0.3 3,-0.4 34,-0.2 5,-0.3 -0.907 16.2-129.9-119.4 149.4 17.8 64.0 35.1 204 210 A N > + 0 0 28 32,-2.1 3,-1.8 -2,-0.3 33,-0.1 0.059 60.7 126.7 -90.3 26.0 16.7 66.7 37.5 205 211 A D T 3 S+ 0 0 59 1,-0.3 -1,-0.2 31,-0.2 -29,-0.1 0.764 90.0 28.5 -54.4 -30.3 16.3 64.9 40.8 206 212 A Y T 3 S- 0 0 162 -3,-0.4 -1,-0.3 -29,-0.1 -2,-0.1 0.232 114.3-108.8-112.7 10.5 18.5 67.4 42.6 207 213 A D S < S+ 0 0 122 -3,-1.8 -3,-0.1 1,-0.1 -2,-0.1 0.905 94.3 108.8 61.5 41.6 17.7 70.3 40.4 208 214 A L > + 0 0 54 -5,-0.3 4,-4.3 2,-0.1 5,-0.3 0.339 35.5 106.5-124.9 -2.4 21.3 70.1 38.9 209 215 A S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -7,-0.1 0.892 85.3 40.4 -50.5 -49.0 20.5 68.7 35.5 210 216 A V H > S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.924 117.9 49.3 -71.6 -35.2 21.2 72.0 33.6 211 217 A A H >> S+ 0 0 37 2,-0.2 4,-1.7 1,-0.2 3,-0.8 0.958 112.4 47.6 -62.1 -50.7 24.2 72.6 35.8 212 218 A N H 3X S+ 0 0 2 -4,-4.3 4,-2.6 1,-0.3 3,-0.3 0.923 108.4 56.8 -53.8 -45.4 25.4 69.1 35.1 213 219 A S H 3X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.3 0.804 103.3 53.9 -57.6 -31.4 24.8 69.6 31.5 214 220 A L H X S+ 0 0 45 -4,-1.7 4,-2.9 -3,-0.3 3,-0.5 0.917 107.0 57.1 -67.5 -41.6 29.9 70.6 33.0 216 222 A A H 3<>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.3 4,-0.3 0.875 103.5 55.1 -55.8 -37.5 29.3 67.9 30.4 217 223 A I H ><5S+ 0 0 18 -4,-1.3 3,-0.6 -5,-0.2 -1,-0.3 0.867 110.0 45.4 -65.6 -34.5 29.8 70.6 27.8 218 224 A R H <<5S+ 0 0 155 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.922 105.3 60.3 -74.0 -43.2 33.2 71.5 29.3 219 225 A A T 3<5S- 0 0 4 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.479 128.9 -90.4 -63.6 -2.6 34.3 67.8 29.6 220 226 A G T < 5 + 0 0 31 -3,-0.6 -22,-0.2 -4,-0.3 -3,-0.2 0.279 68.9 156.0 116.0 -15.1 34.0 67.5 25.8 221 227 A V < - 0 0 6 -5,-1.9 -1,-0.2 1,-0.1 -22,-0.2 -0.048 27.0-161.8 -47.5 146.2 30.4 66.3 25.0 222 228 A K S S+ 0 0 95 -24,-2.5 -219,-1.9 1,-0.1 2,-0.3 0.444 70.6 28.4-110.1 -5.7 29.1 67.2 21.5 223 229 A G E -ah 3 199A 0 -25,-1.0 -23,-1.9 -221,-0.2 2,-0.3 -0.983 62.1-152.6-151.6 161.3 25.4 66.8 22.2 224 230 A L E -ah 4 200A 0 -221,-2.8 -219,-3.1 -2,-0.3 2,-0.3 -0.989 9.7-140.1-140.2 148.4 22.8 67.0 25.0 225 231 A H E +a 5 0A 1 -25,-2.4 -23,-0.4 -2,-0.3 2,-0.3 -0.749 33.0 147.2-103.7 152.3 19.4 65.4 25.8 226 232 A A E -a 6 0A 0 -221,-1.8 -219,-2.6 -2,-0.3 -218,-0.5 -0.985 31.3-131.5-172.3 168.0 16.4 67.3 27.3 227 233 A S B > -k 239 0D 0 11,-2.8 3,-2.4 -2,-0.3 13,-2.1 -0.995 33.1 -98.2-138.9 148.4 12.7 67.6 27.5 228 234 A I G > S- 0 0 5 -2,-0.3 3,-1.9 1,-0.3 9,-0.1 -0.358 111.3 -1.5 -64.1 129.2 10.1 70.5 27.3 229 235 A N G 3 S- 0 0 14 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.720 121.4 -79.4 63.7 20.7 9.2 71.6 30.8 230 236 A G G < S+ 0 0 9 -3,-2.4 -1,-0.3 8,-0.3 -2,-0.2 0.836 75.2 179.6 59.0 21.0 11.4 68.9 32.1 231 237 A L < + 0 0 12 -3,-1.9 6,-1.3 5,-0.2 2,-0.3 -0.323 24.5 105.8 -51.9 145.4 8.7 66.5 31.4 232 238 A G S S- 0 0 3 -220,-0.3 -216,-0.2 4,-0.3 -220,-0.2 -0.950 75.1 -57.4 164.4-159.1 9.8 63.0 32.3 233 239 A E S S- 0 0 111 -2,-0.3 -217,-0.4 -218,-0.2 -1,-0.1 0.780 110.8 -6.0 -93.3 -44.4 9.6 60.1 34.9 234 240 A R S S- 0 0 111 -219,-0.1 -2,-0.2 -3,-0.1 -218,-0.1 0.544 144.5 -12.2 -99.0-109.0 10.5 61.5 38.2 235 241 A A S S- 0 0 50 1,-0.3 -2,-0.1 -4,-0.1 2,-0.1 0.358 109.3-126.4 -71.8 -1.4 11.7 64.9 38.5 236 242 A G - 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