==== 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 OXIDOREDUCTASE 22-FEB-06 2G4O . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 1348 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 992 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 8.8 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 . 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 . 97 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 451 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.5 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 5 1 9 1 2 6 0 0 4 7 5 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 9 5 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 PARALLEL BRIDGES PER LADDER . 5 0 4 8 0 0 4 0 2 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 1 1 0 0 0 4 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 M 0 0 31 0, 0.0 2,-0.3 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0-126.8 -9.7 62.0 7.7 2 1AA S + 0 0 77 59,-0.0 30,-3.4 60,-0.0 2,-0.4 -0.490 360.0 39.4 112.0 -61.0 -13.2 60.8 6.7 3 2 A K E -a 32 0A 85 -2,-0.3 59,-2.2 28,-0.2 60,-0.9 -0.987 62.1-179.0-130.5 121.2 -12.5 57.7 4.6 4 3 A L E -ab 33 63A 0 28,-3.7 30,-2.6 -2,-0.4 2,-0.5 -0.981 15.9-150.3-122.6 127.2 -9.8 55.1 5.3 5 4 A A E -ab 34 64A 0 58,-2.3 60,-2.6 -2,-0.5 2,-0.5 -0.856 17.2-155.9 -86.8 135.5 -9.1 52.1 3.2 6 5 A I E -ab 35 65A 10 28,-3.3 30,-2.9 -2,-0.5 2,-0.5 -0.970 19.0-177.7-121.2 127.6 -7.7 49.2 5.3 7 6 A I E + b 0 66A 0 58,-2.5 60,-2.5 -2,-0.5 30,-0.1 -0.817 7.4 175.7-121.1 83.2 -5.6 46.4 3.9 8 7 A A E + 0 0 24 -2,-0.5 60,-1.3 28,-0.3 2,-0.2 0.921 26.2 176.5 -61.9 -45.8 -5.1 44.2 6.9 9 8 A G E - b 0 68A 0 27,-0.4 60,-0.2 58,-0.2 -1,-0.2 -0.499 25.3 -11.9 87.9-147.6 -3.3 41.7 4.8 10 9 A D S > S- 0 0 10 58,-2.9 3,-2.7 -2,-0.2 58,-0.2 -0.522 97.1 -19.7-102.4 160.0 -1.6 38.4 5.8 11 10 A G T 3 S+ 0 0 22 1,-0.3 4,-0.4 -2,-0.2 268,-0.3 -0.233 134.0 4.4 55.9-109.2 -0.4 36.6 9.0 12 11 A I T 3> S+ 0 0 10 261,-2.4 4,-2.4 1,-0.2 5,-0.3 0.587 109.7 95.1 -84.1 -9.0 -0.1 39.1 11.9 13 12 A G H <> S+ 0 0 0 -3,-2.7 4,-2.9 1,-0.2 5,-0.3 0.891 82.6 48.2 -48.2 -54.8 -1.5 41.9 9.7 14 13 A P H > S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.938 112.1 46.6 -52.4 -55.5 -5.1 41.5 10.9 15 14 A E H > S+ 0 0 30 -4,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.854 117.6 41.8 -65.2 -36.4 -4.5 41.4 14.6 16 15 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.927 114.8 51.1 -74.0 -39.7 -2.1 44.5 14.6 17 16 A T H X S+ 0 0 5 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.884 105.0 57.4 -63.5 -35.5 -4.2 46.5 12.2 18 17 A A H X S+ 0 0 49 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.933 109.5 45.0 -60.1 -43.3 -7.3 45.8 14.5 19 18 A E H X S+ 0 0 27 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.911 111.9 52.3 -68.5 -38.7 -5.4 47.4 17.4 20 19 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 109.2 49.8 -57.9 -45.0 -4.3 50.3 15.1 21 20 A V H X S+ 0 0 22 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.858 107.2 55.7 -63.3 -40.4 -7.9 50.9 14.0 22 21 A K H X S+ 0 0 141 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.918 108.7 45.6 -55.8 -46.2 -9.0 51.0 17.6 23 22 A V H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 3,-0.3 0.929 113.9 49.5 -67.4 -41.5 -6.5 53.7 18.5 24 23 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.931 108.6 53.6 -57.5 -48.9 -7.5 55.7 15.4 25 24 A D H < S+ 0 0 49 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.777 108.1 51.2 -58.4 -32.2 -11.2 55.3 16.3 26 25 A A H < S+ 0 0 52 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.895 116.8 36.8 -75.5 -41.4 -10.4 56.7 19.8 27 26 A V H < S+ 0 0 13 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.647 133.1 24.1 -88.4 -16.5 -8.6 59.8 18.6 28 27 A V S < S- 0 0 24 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 -0.565 81.2-162.9-145.3 80.1 -10.9 60.4 15.5 29 28 A P + 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.152 65.1 31.8 -62.1 157.9 -14.3 58.9 15.8 30 29 A G S S+ 0 0 80 1,-0.2 2,-0.5 -5,-0.1 -5,-0.0 0.811 71.6 153.4 70.0 33.5 -16.7 58.3 12.8 31 30 A V - 0 0 10 -3,-0.4 2,-0.6 -30,-0.0 -1,-0.2 -0.823 48.7-119.6 -86.8 133.9 -14.1 57.6 10.1 32 31 A Q E -a 3 0A 132 -30,-3.4 -28,-3.7 -2,-0.5 2,-0.5 -0.638 30.8-161.8 -76.3 118.9 -15.4 55.4 7.3 33 32 A K E -a 4 0A 79 -2,-0.6 2,-0.4 -30,-0.2 -28,-0.2 -0.878 8.1-172.8-106.8 130.1 -13.3 52.3 7.2 34 33 A T E -a 5 0A 45 -30,-2.6 -28,-3.3 -2,-0.5 2,-0.4 -0.990 13.0-145.7-128.3 126.0 -13.3 50.1 4.1 35 34 A S E -a 6 0A 97 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.806 10.7-164.3-106.4 131.2 -11.5 46.8 4.1 36 35 A Y - 0 0 30 -30,-2.9 2,-1.0 -2,-0.4 -27,-0.4 -0.901 17.8-134.4-117.5 140.1 -9.8 45.3 1.1 37 36 A D + 0 0 55 -2,-0.4 2,-0.3 -30,-0.1 -30,-0.1 -0.796 44.0 150.2 -99.2 96.3 -8.7 41.8 0.6 38 37 A L + 0 0 0 -2,-1.0 3,-0.2 4,-0.1 2,-0.2 -0.970 33.9 28.2-133.2 150.8 -5.2 41.8 -0.8 39 38 A G S >> S- 0 0 0 10,-0.4 4,-2.9 -2,-0.3 3,-1.1 -0.674 112.0 -8.6 103.8-158.9 -2.1 39.5 -0.6 40 39 A A H 3> S+ 0 0 5 1,-0.3 4,-1.6 -2,-0.2 5,-0.2 0.760 133.5 51.0 -40.6 -43.4 -1.9 35.7 -0.2 41 40 A R H 3> S+ 0 0 108 -3,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.866 115.0 40.5 -66.9 -44.7 -5.6 35.3 0.6 42 41 A R H <>>S+ 0 0 46 -3,-1.1 4,-2.3 2,-0.2 6,-0.8 0.877 113.0 56.7 -70.9 -43.0 -6.7 37.2 -2.4 43 42 A F H X5S+ 0 0 56 -4,-2.9 4,-0.7 4,-0.2 -2,-0.2 0.779 114.8 37.3 -57.2 -34.7 -4.0 35.6 -4.5 44 43 A H H <5S+ 0 0 104 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.909 117.7 48.8 -84.2 -51.4 -5.3 32.1 -3.7 45 44 A A H <5S+ 0 0 79 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.782 136.2 4.7 -59.4 -32.1 -9.0 32.9 -3.7 46 45 A T H <5S- 0 0 76 -4,-2.3 -3,-0.2 2,-0.2 -1,-0.2 0.531 89.1-115.2-132.1 -10.3 -8.9 34.7 -7.1 47 46 A G S <> - 0 0 22 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.331 25.7-127.6 -60.9 147.4 -6.2 44.4 -10.1 52 51 A D H 3> S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.853 110.0 61.3 -64.5 -34.7 -6.5 47.9 -11.7 53 52 A S H 3> S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.826 102.9 49.8 -60.0 -33.8 -10.1 48.0 -10.5 54 53 A V H <> S+ 0 0 9 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.914 106.8 54.7 -72.3 -42.9 -8.9 47.7 -6.9 55 54 A V H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.887 107.7 50.8 -51.9 -41.9 -6.4 50.5 -7.3 56 55 A A H X S+ 0 0 49 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.840 108.6 51.2 -66.4 -39.0 -9.3 52.7 -8.5 57 56 A E H >< S+ 0 0 93 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.924 105.6 56.6 -60.4 -44.1 -11.3 51.8 -5.4 58 57 A L H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.857 96.1 64.9 -58.9 -36.5 -8.3 52.7 -3.3 59 58 A R H 3< S+ 0 0 103 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.737 88.1 69.0 -59.5 -25.5 -8.3 56.2 -4.9 60 59 A N T << S+ 0 0 96 -3,-1.5 -1,-0.3 -4,-0.6 2,-0.2 0.518 90.0 80.2 -71.7 -3.4 -11.8 57.0 -3.3 61 60 A H S < S- 0 0 18 -3,-1.7 -57,-0.2 -4,-0.2 3,-0.1 -0.634 79.6-129.2-106.4 160.5 -10.2 57.1 0.2 62 61 A D S S- 0 0 61 -59,-2.2 203,-0.5 1,-0.2 2,-0.3 0.836 86.9 -17.2 -74.6 -34.4 -8.3 59.8 2.1 63 62 A A E -b 4 0A 0 -60,-0.9 -58,-2.3 201,-0.2 2,-0.4 -0.953 62.8-120.7-161.3 168.9 -5.5 57.3 3.1 64 63 A I E -bc 5 266A 0 201,-2.4 203,-3.0 -2,-0.3 2,-0.5 -0.979 11.8-159.4-123.7 133.6 -4.6 53.7 3.3 65 64 A L E -bc 6 267A 2 -60,-2.6 -58,-2.5 -2,-0.4 2,-0.4 -0.956 17.2-166.9-107.9 121.9 -3.6 51.8 6.4 66 65 A L E -b 7 0A 2 201,-3.2 -58,-0.2 -2,-0.5 3,-0.1 -0.924 15.4-168.7-114.0 143.0 -1.8 48.5 5.7 67 66 A G E - 0 0 0 -60,-2.5 2,-0.3 -2,-0.4 -58,-0.2 0.888 56.1 -50.9 -82.2 -94.5 -0.9 45.6 8.0 68 67 A A E -b 9 0A 2 -60,-1.3 -58,-2.9 -58,-0.2 2,-0.4 -0.974 43.0-143.2-149.0 154.2 1.6 43.1 6.4 69 68 A I + 0 0 24 -2,-0.3 204,-0.4 -60,-0.2 2,-0.1 -0.976 47.7 61.1-123.6 130.1 1.8 41.1 3.1 70 69 A G - 0 0 17 -2,-0.4 -2,-0.0 202,-0.1 3,-0.0 -0.241 34.0-165.4 137.7 152.0 3.1 37.6 2.5 71 70 A D > - 0 0 56 3,-0.3 3,-1.8 -2,-0.1 203,-0.0 -0.967 34.5-122.3-153.4 143.0 2.9 33.9 3.2 72 71 A P T 3 S+ 0 0 114 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.699 110.7 69.9 -60.3 -18.9 5.3 31.0 2.5 73 72 A S T 3 S+ 0 0 63 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.617 92.5 66.8 -69.9 -15.9 2.5 29.5 0.4 74 73 A V S < S- 0 0 11 -3,-1.8 -3,-0.3 1,-0.1 3,-0.2 -0.954 99.6 -97.0-116.2 123.8 3.1 32.3 -2.2 75 74 A P >> - 0 0 77 0, 0.0 3,-1.6 0, 0.0 2,-0.6 0.206 42.4 -92.5 -48.8 151.3 6.4 32.4 -4.2 76 75 A S T 34 S+ 0 0 134 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.500 108.1 11.3 -83.5 109.1 9.3 34.6 -3.3 77 76 A G T 3> S+ 0 0 12 -2,-0.6 4,-2.7 -3,-0.2 5,-0.4 -0.002 100.4 98.8 115.5 -23.5 9.2 38.0 -5.1 78 77 A V H <> S+ 0 0 55 -3,-1.6 4,-2.3 2,-0.2 -2,-0.1 0.912 88.9 30.8 -69.7 -51.5 5.6 37.8 -6.4 79 78 A L H X>S+ 0 0 11 -4,-0.6 5,-2.3 3,-0.2 4,-2.1 0.826 120.6 56.3 -74.7 -33.0 3.5 39.8 -4.0 80 79 A E H 4>S+ 0 0 62 3,-0.2 5,-2.6 2,-0.2 6,-0.2 0.929 119.7 27.9 -66.1 -51.4 6.4 42.0 -3.3 81 80 A R H <>S+ 0 0 77 -4,-2.7 5,-1.1 3,-0.2 -2,-0.2 0.943 130.1 41.2 -70.8 -51.6 7.0 43.0 -7.0 82 81 A G H <5S+ 0 0 24 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.610 132.0 14.9 -83.8 -15.9 3.3 42.6 -8.0 83 82 A L T X5S+ 0 0 3 -4,-2.1 4,-1.3 -5,-0.1 -3,-0.2 0.685 128.3 38.4-118.0 -53.1 1.5 44.1 -5.1 84 83 A L H >S+ 0 0 35 -4,-1.5 5,-2.9 2,-0.2 4,-0.3 0.924 114.5 41.8 -57.0 -41.1 3.9 52.3 -4.9 89 88 A F H ><5S+ 0 0 71 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.938 115.9 46.5 -75.4 -46.7 4.1 52.9 -8.6 90 89 A E H 3<5S+ 0 0 70 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.795 118.2 41.5 -69.9 -30.1 0.4 53.1 -9.3 91 90 A L T 3<5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 172,-0.2 0.331 109.5-120.3 -96.7 5.4 -0.3 55.5 -6.4 92 91 A D T < 5 + 0 0 44 -3,-0.9 2,-2.1 -4,-0.3 -3,-0.2 0.938 42.1 176.5 57.3 49.5 2.9 57.6 -7.0 93 92 A H < + 0 0 1 -5,-2.9 165,-0.3 1,-0.2 -1,-0.2 -0.487 15.2 154.5 -81.7 68.8 4.3 56.9 -3.6 94 93 A H + 0 0 3 -2,-2.1 30,-1.9 -3,-0.2 2,-0.6 0.631 53.3 67.9 -77.9 -14.4 7.5 58.8 -4.3 95 94 A I E -DE 123 257A 0 162,-2.4 162,-3.5 28,-0.2 2,-0.7 -0.959 60.1-170.7-109.3 114.3 8.2 59.6 -0.7 96 95 A N E -DE 122 256A 1 26,-2.9 26,-2.9 -2,-0.6 2,-0.5 -0.946 13.7-162.5 -97.8 111.0 9.1 56.8 1.6 97 96 A L E +DE 121 255A 13 158,-2.6 158,-2.5 -2,-0.7 24,-0.2 -0.862 13.3 175.3-104.3 120.8 9.1 58.3 5.1 98 97 A R E -D 120 0A 20 22,-2.4 22,-2.3 -2,-0.5 156,-0.1 -0.860 14.3-156.9-132.6 90.7 11.0 56.2 7.7 99 98 A P E -D 119 0A 46 0, 0.0 2,-0.4 0, 0.0 154,-0.3 -0.433 3.7-164.8 -66.6 142.5 11.3 57.8 11.2 100 99 A A E +D 118 0A 2 18,-3.5 18,-2.7 -2,-0.1 2,-0.4 -0.858 22.4 154.0-133.2 95.9 14.1 56.5 13.4 101 100 A R E -D 117 0A 92 -2,-0.4 2,-0.6 16,-0.2 16,-0.2 -0.990 36.4-140.0-125.6 133.1 13.8 57.5 17.1 102 101 A L - 0 0 10 14,-2.7 14,-0.4 -2,-0.4 145,-0.1 -0.835 29.2-158.5 -96.3 123.7 15.2 55.7 20.1 103 102 A Y > - 0 0 33 -2,-0.6 3,-2.2 143,-0.3 2,-0.0 -0.658 26.0 -96.8-107.6 143.4 12.6 55.7 22.9 104 103 A P T 3 S+ 0 0 43 0, 0.0 687,-0.2 0, 0.0 214,-0.1 -0.414 115.8 33.5 -52.2 131.3 12.8 55.2 26.6 105 104 A G T 3 S+ 0 0 2 684,-1.8 2,-0.4 685,-0.2 686,-0.1 0.291 98.4 102.1 102.5 -3.1 12.0 51.6 27.2 106 105 A V < - 0 0 2 -3,-2.2 2,-0.4 683,-0.1 -1,-0.2 -0.947 64.9-135.4-117.0 127.4 13.6 50.3 23.9 107 106 A A - 0 0 42 -2,-0.4 680,-0.1 681,-0.2 -4,-0.0 -0.701 13.2-153.5 -80.0 127.6 17.0 48.7 23.8 108 107 A S - 0 0 19 -2,-0.4 680,-0.2 2,-0.2 5,-0.2 -0.720 18.7-134.3 -88.5 147.1 19.5 49.7 21.1 109 108 A P S S+ 0 0 25 0, 0.0 340,-3.0 0, 0.0 2,-0.2 0.535 82.7 94.1 -77.0 -4.2 22.1 47.2 19.9 110 109 A L B > S-J 448 0B 8 135,-0.3 3,-0.6 338,-0.3 338,-0.3 -0.583 87.4 -99.2 -84.7 154.0 24.6 50.1 20.1 111 110 A S T 3 S+ 0 0 75 336,-2.5 -1,-0.1 -2,-0.2 338,-0.1 -0.352 94.2 12.4 -64.6 137.3 26.8 50.7 23.2 112 111 A G T 3 S- 0 0 39 1,-0.2 671,-0.3 672,-0.1 -1,-0.2 0.694 103.0 -89.1 77.5 30.6 25.7 53.4 25.7 113 112 A N < - 0 0 18 -3,-0.6 668,-0.8 -5,-0.2 -1,-0.2 0.832 55.7-160.3 33.2 65.2 22.0 54.4 24.9 114 113 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 667,-0.2 -0.323 24.7-104.3 -71.1 150.9 22.8 57.2 22.5 115 114 A G - 0 0 13 877,-0.3 2,-0.4 666,-0.2 -12,-0.1 -0.637 45.4-178.4 -70.6 127.1 20.2 59.9 21.7 116 115 A I + 0 0 5 -2,-0.4 -14,-2.7 -14,-0.4 2,-0.2 -0.991 18.0 147.8-133.5 124.3 18.8 59.0 18.3 117 116 A D E +D 101 0A 57 -2,-0.4 2,-0.3 108,-0.4 -16,-0.2 -0.683 25.5 124.9-159.7 89.6 16.1 61.1 16.6 118 117 A F E -D 100 0A 1 -18,-2.7 -18,-3.5 -2,-0.2 2,-0.4 -0.923 41.6-137.8-142.4 173.6 16.1 61.3 12.8 119 118 A V E -Df 99 227A 11 107,-2.1 109,-2.9 -2,-0.3 2,-0.5 -0.998 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1,-0.2 20,-0.1 0.201 70.9 84.3-102.4 25.8 14.3 49.1 -8.0 130 129 A T G < S- 0 0 52 -3,-0.8 -1,-0.2 18,-0.3 391,-0.1 0.573 98.1-109.8-102.0 -4.4 12.1 49.2 -11.1 131 130 A G < + 0 0 21 -3,-0.6 2,-0.5 389,-0.3 -2,-0.1 0.612 61.0 153.5 87.6 14.7 13.1 46.0 -13.0 132 131 A N + 0 0 72 16,-0.4 16,-2.7 -4,-0.1 2,-0.3 -0.635 40.4 52.1 -86.2 121.6 15.0 47.6 -15.9 133 132 A G E -L 147 0C 33 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.988 58.6-153.4 152.4-154.2 17.6 45.4 -17.4 134 133 A G E -L 146 0C 19 12,-1.8 12,-2.8 -2,-0.3 2,-0.3 -0.952 10.5-114.2 168.3-174.9 17.8 41.9 -18.8 135 134 A A E -L 145 0C 40 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.963 12.2-158.2-146.0 156.2 20.1 39.0 -19.4 136 135 A I E S+L 144 0C 86 8,-2.1 8,-2.2 -2,-0.3 3,-0.1 -0.972 73.5 16.2-136.8 150.6 21.6 37.0 -22.2 137 136 A R S > S- 0 0 158 -2,-0.3 3,-1.4 6,-0.2 6,-0.3 0.816 82.0-164.5 61.5 37.2 23.0 33.5 -22.5 138 137 A V T 3 + 0 0 86 1,-0.3 -1,-0.2 4,-0.1 4,-0.0 -0.169 65.2 21.1 -57.6 137.1 21.4 32.6 -19.2 139 138 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.652 105.7 95.7 82.9 12.6 22.7 29.4 -17.6 140 139 A T S X S- 0 0 55 -3,-1.4 3,-1.9 1,-0.0 -1,-0.3 -0.875 90.3-106.1-122.6 165.6 26.0 29.4 -19.4 141 140 A P T 3 S+ 0 0 103 0, 0.0 351,-0.4 0, 0.0 354,-0.1 0.649 121.2 61.3 -61.2 -11.2 29.6 30.6 -18.6 142 141 A N T 3 S+ 0 0 103 -5,-0.3 -4,-0.1 349,-0.1 -6,-0.1 0.410 74.3 133.8 -98.7 5.8 28.7 33.4 -21.1 143 142 A E < - 0 0 5 -3,-1.9 348,-2.0 -6,-0.3 349,-0.4 -0.229 32.9-171.8 -59.2 139.4 25.7 34.8 -19.2 144 143 A V E -LM 136 490C 41 -8,-2.2 -8,-2.1 346,-0.2 2,-0.4 -0.991 0.8-172.2-132.3 130.6 25.6 38.6 -18.9 145 144 A A E -LM 135 489C 0 344,-2.9 344,-2.8 -2,-0.4 2,-0.4 -0.984 2.4-166.9-124.8 130.8 23.0 40.4 -16.7 146 145 A T E -LM 134 488C 41 -12,-2.8 -12,-1.8 -2,-0.4 2,-0.4 -0.911 7.7-166.0-118.7 140.2 22.5 44.1 -16.6 147 146 A E E -LM 133 487C 11 340,-1.7 340,-3.2 -2,-0.4 2,-0.5 -0.998 13.2-157.7-121.7 130.7 20.5 46.1 -14.1 148 147 A V E - M 0 486C 24 -16,-2.7 2,-0.6 -2,-0.4 -16,-0.4 -0.954 5.4-157.2-117.3 127.2 19.7 49.8 -15.0 149 148 A S E - M 0 485C 11 336,-2.8 336,-1.6 -2,-0.5 2,-0.5 -0.897 9.4-161.2-103.1 117.2 18.9 52.6 -12.6 150 149 A V E -KM 127 484C 37 -23,-0.7 -23,-3.3 -2,-0.6 2,-0.4 -0.888 10.8-178.5-102.6 128.2 16.9 55.4 -14.1 151 150 A N E - M 0 483C 0 332,-2.7 332,-3.1 -2,-0.5 2,-0.4 -0.962 3.5-168.0-127.9 139.6 16.9 58.7 -12.2 152 151 A T E > - M 0 482C 29 -2,-0.4 4,-3.6 330,-0.2 5,-0.3 -0.987 34.3-132.2-132.4 142.0 15.1 61.9 -13.1 153 152 A A H > S+ 0 0 10 328,-2.3 4,-2.8 -2,-0.4 5,-0.3 0.882 112.9 58.2 -49.0 -41.7 15.1 65.5 -12.1 154 153 A F H > S+ 0 0 135 325,-0.4 4,-1.2 327,-0.4 -1,-0.2 0.943 113.5 36.3 -50.0 -56.6 11.3 65.1 -11.9 155 154 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.921 119.9 46.6 -68.7 -51.3 11.6 62.3 -9.3 156 155 A V H X S+ 0 0 0 -4,-3.6 4,-2.6 1,-0.2 5,-0.2 0.924 108.0 53.3 -60.3 -48.2 14.6 63.7 -7.4 157 156 A R H X S+ 0 0 138 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.853 107.1 55.8 -55.6 -38.9 13.4 67.2 -7.0 158 157 A R H X S+ 0 0 42 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.936 112.1 39.3 -54.6 -55.5 10.1 66.0 -5.5 159 158 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.855 114.4 54.0 -71.0 -39.9 11.7 64.0 -2.8 160 159 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.912 108.2 49.6 -63.2 -47.0 14.4 66.5 -2.1 161 160 A A H X S+ 0 0 24 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.892 110.1 50.6 -54.5 -48.8 11.9 69.4 -1.6 162 161 A D H X S+ 0 0 24 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.918 110.5 50.0 -58.7 -44.0 9.9 67.3 0.8 163 162 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.910 108.9 50.8 -64.8 -41.0 13.0 66.5 2.8 164 163 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.878 109.5 52.0 -59.7 -37.2 14.0 70.1 3.0 165 164 A E H X S+ 0 0 78 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.950 110.7 47.4 -65.6 -44.9 10.5 70.9 4.3 166 165 A R H X S+ 0 0 32 -4,-2.5 4,-0.7 2,-0.2 6,-0.2 0.907 111.2 51.8 -59.7 -40.9 10.8 68.2 6.9 167 166 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 3,-1.4 0.953 107.1 52.0 -63.1 -47.4 14.3 69.6 7.8 168 167 A R H 3<5S+ 0 0 87 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.865 111.5 47.9 -55.3 -37.8 12.9 73.1 8.3 169 168 A R H 3<5S+ 0 0 149 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.569 121.7 34.4 -80.9 -8.8 10.2 71.8 10.6 170 169 A R T <<5S- 0 0 76 -3,-1.4 -3,-0.1 -4,-0.7 -2,-0.1 0.478 130.7 -37.1-111.9-111.8 12.7 69.7 12.7 171 170 A R T 5S- 0 0 111 2,-0.2 -3,-0.2 -5,-0.1 -4,-0.1 0.245 74.7-117.2-107.5 15.2 16.3 70.6 13.5 172 171 A K S > + 0 0 12 4,-0.2 4,-3.3 31,-0.2 3,-1.6 -0.423 44.5 163.5-151.7 66.6 27.7 57.5 -3.8 180 179 A T T 34 + 0 0 29 1,-0.3 8,-0.2 2,-0.2 7,-0.1 0.628 66.6 62.1 -71.5 -19.7 28.6 60.4 -6.0 181 180 A N T 34 S+ 0 0 79 1,-0.1 -1,-0.3 6,-0.1 3,-0.2 0.649 120.3 23.8 -80.0 -15.4 32.2 59.4 -6.7 182 181 A V T <4 S+ 0 0 19 -3,-1.6 2,-1.0 1,-0.2 287,-0.3 0.679 122.7 49.4-122.8 -36.0 31.2 56.2 -8.3 183 182 A L S X S+ 0 0 13 -4,-3.3 4,-1.8 1,-0.2 5,-0.2 -0.798 72.6 168.6 -98.7 84.0 27.6 56.7 -9.6 184 183 A T H > + 0 0 50 -2,-1.0 4,-1.4 3,-0.2 -1,-0.2 0.810 67.5 44.0 -77.5 -28.6 28.7 59.9 -11.2 185 184 A F H > S+ 0 0 62 2,-0.2 4,-1.9 -3,-0.2 -1,-0.1 0.966 121.7 34.8 -78.6 -58.7 25.5 60.5 -13.2 186 185 A A H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 120.8 53.6 -57.2 -44.4 22.8 59.7 -10.7 187 186 A G H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -3,-0.2 0.934 107.4 47.3 -61.1 -47.0 25.1 61.1 -8.0 188 187 A G H X S+ 0 0 15 -4,-1.4 4,-2.4 -5,-0.2 5,-0.3 0.881 109.3 54.8 -63.8 -33.9 25.5 64.5 -9.8 189 188 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.957 113.0 44.0 -61.4 -43.4 21.8 64.7 -10.4 190 189 A W H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.898 113.2 49.3 -68.9 -48.8 21.3 64.3 -6.6 191 190 A L H X S+ 0 0 56 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.947 114.7 43.9 -53.2 -53.6 24.0 66.6 -5.6 192 191 A R H X S+ 0 0 74 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.829 111.5 54.6 -66.1 -31.9 22.9 69.5 -7.9 193 192 A T H X S+ 0 0 8 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.940 108.6 46.5 -70.5 -41.9 19.3 69.0 -6.9 194 193 A V H X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.934 114.1 50.1 -64.3 -41.4 19.9 69.3 -3.2 195 194 A D H X S+ 0 0 104 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.902 113.5 44.3 -62.1 -42.1 22.1 72.4 -3.9 196 195 A E H < S+ 0 0 99 -4,-2.4 3,-0.5 2,-0.2 4,-0.4 0.903 116.8 43.7 -73.5 -41.4 19.4 74.1 -6.1 197 196 A V H >< S+ 0 0 6 -4,-2.8 3,-1.8 1,-0.2 4,-0.2 0.890 106.0 65.8 -68.8 -38.5 16.5 73.3 -3.8 198 197 A G H >< S+ 0 0 16 -4,-2.8 3,-2.3 -5,-0.3 -1,-0.2 0.742 82.9 74.7 -52.3 -30.4 18.8 74.3 -0.9 199 198 A E T 3< S+ 0 0 151 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.845 95.4 51.5 -52.0 -36.8 18.8 77.9 -2.3 200 199 A C T < S+ 0 0 87 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.495 109.5 53.2 -80.5 1.5 15.2 78.2 -0.9 201 200 A Y X + 0 0 23 -3,-2.3 3,-1.7 -4,-0.2 -1,-0.2 -0.400 52.0 154.1-134.1 61.4 16.4 76.9 2.5 202 201 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.701 77.5 63.2 -62.4 -13.7 19.3 79.1 3.7 203 202 A D T 3 S+ 0 0 50 -3,-0.1 2,-0.6 2,-0.1 -2,-0.1 0.699 88.1 81.1 -80.6 -24.6 18.1 78.1 7.3 204 203 A V S < S- 0 0 10 -3,-1.7 2,-0.3 -6,-0.2 -31,-0.2 -0.760 75.2-141.0 -87.0 121.0 18.8 74.3 6.7 205 204 A E E -g 173 0A 135 -33,-2.8 -31,-3.2 -2,-0.6 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