==== 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 09-SEP-94 1HEX . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.H.HURLEY . 345 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.4 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 . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 0 1 0 0 2 1 0 1 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 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 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 1 A M 0 0 34 0, 0.0 34,-2.7 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 87.3 14.9 0.6 42.4 2 2 A K E -a 35 0A 49 32,-0.2 63,-2.6 61,-0.1 64,-1.1 -0.916 360.0-178.6-107.6 113.6 14.5 -1.5 45.5 3 3 A V E -ab 36 66A 0 32,-2.0 34,-1.9 -2,-0.7 2,-0.5 -0.882 22.5-148.6-110.7 135.4 17.2 -0.6 48.0 4 4 A A E -ab 37 67A 0 62,-2.4 64,-2.2 -2,-0.4 2,-0.6 -0.929 20.1-153.6 -97.2 134.7 17.9 -2.2 51.4 5 5 A V E -ab 38 68A 0 32,-2.9 34,-2.0 -2,-0.5 64,-0.2 -0.902 15.7-178.3-116.5 106.5 19.3 0.5 53.6 6 6 A L E + b 0 69A 0 62,-1.4 64,-2.1 -2,-0.6 32,-0.1 -0.714 2.5 177.7-104.3 86.7 21.6 -0.8 56.5 7 7 A P E - 0 0 19 0, 0.0 64,-1.6 0, 0.0 9,-0.2 0.735 19.8-176.9 -66.3 -22.1 22.6 2.4 58.4 8 8 A G E - b 0 71A 10 31,-0.4 64,-0.3 62,-0.2 34,-0.1 -0.123 32.0 -31.2 62.3-155.3 24.6 0.5 61.1 9 9 A D S > S+ 0 0 9 62,-1.4 3,-2.1 33,-0.2 62,-0.4 -0.200 97.8 7.9 -91.7-179.8 26.3 2.2 64.1 10 10 A G T 3 S- 0 0 33 1,-0.3 4,-0.4 2,-0.2 266,-0.2 -0.170 131.6 -9.9 54.8-125.6 27.9 5.6 65.0 11 11 A I T 3> S+ 0 0 7 264,-2.3 4,-2.4 1,-0.2 5,-0.4 0.482 111.9 101.7 -80.6 -2.3 27.6 8.3 62.3 12 12 A G H <> S+ 0 0 0 -3,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.907 83.5 41.8 -50.3 -55.4 26.3 5.5 60.0 13 13 A P H > S+ 0 0 59 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.902 113.9 57.0 -55.1 -40.8 22.5 6.6 60.4 14 14 A E H > S+ 0 0 44 -4,-0.4 4,-0.8 1,-0.2 -2,-0.2 0.892 114.1 33.2 -58.7 -50.5 23.7 10.3 60.2 15 15 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.775 116.4 57.7 -80.5 -28.1 25.4 10.1 56.8 16 16 A T H X S+ 0 0 3 -4,-2.1 4,-2.6 -5,-0.4 -2,-0.2 0.893 103.2 53.0 -69.6 -35.9 22.9 7.5 55.5 17 17 A E H X S+ 0 0 75 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.847 108.8 51.4 -66.4 -31.5 19.9 9.8 56.2 18 18 A A H X S+ 0 0 2 -4,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.882 109.0 48.3 -68.3 -41.4 21.7 12.4 54.2 19 19 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.913 112.7 51.0 -65.6 -40.2 22.3 10.0 51.3 20 20 A L H X S+ 0 0 7 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.885 104.9 54.7 -63.7 -45.0 18.5 9.1 51.6 21 21 A K H X S+ 0 0 62 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.872 111.2 46.5 -55.3 -37.2 17.5 12.8 51.5 22 22 A V H X S+ 0 0 2 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.942 113.6 47.9 -71.5 -43.5 19.5 13.1 48.1 23 23 A L H X S+ 0 0 2 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.856 112.7 48.9 -64.4 -36.5 17.9 9.9 46.7 24 24 A R H X S+ 0 0 69 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.909 110.8 48.7 -69.5 -44.2 14.4 10.9 47.7 25 25 A A H X S+ 0 0 30 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.854 112.9 49.6 -63.3 -30.8 14.7 14.4 46.2 26 26 A L H X S+ 0 0 5 -4,-1.7 4,-1.4 1,-0.2 5,-0.3 0.793 104.4 57.5 -78.3 -31.5 16.1 12.9 43.0 27 27 A D H X>S+ 0 0 42 -4,-1.4 4,-0.9 3,-0.2 5,-0.6 0.736 107.5 50.2 -69.7 -27.2 13.3 10.4 42.8 28 28 A E H <5S+ 0 0 153 -4,-1.1 -2,-0.2 3,-0.2 -3,-0.1 0.978 113.6 41.0 -75.2 -62.8 10.8 13.3 42.8 29 29 A A H <5S+ 0 0 82 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.708 132.5 25.0 -56.1 -26.5 12.4 15.4 40.0 30 30 A E H <5S- 0 0 90 -4,-1.4 -1,-0.2 -5,-0.1 -3,-0.2 0.592 99.2-127.0-114.1 -19.9 13.2 12.3 37.8 31 31 A G T <5 + 0 0 55 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.995 38.2 173.2 63.6 71.6 10.6 9.8 39.0 32 32 A L < - 0 0 34 -5,-0.6 -5,-0.0 -31,-0.0 -1,-0.0 -0.309 43.7-114.0 -85.4-174.3 12.7 6.8 39.8 33 33 A G + 0 0 53 -2,-0.1 2,-0.1 2,-0.1 -6,-0.0 -0.279 47.4 178.5-113.4 49.7 10.8 4.0 41.4 34 34 A L + 0 0 24 -11,-0.1 2,-0.4 -32,-0.1 -32,-0.2 -0.315 9.2 164.3 -65.2 122.4 12.7 4.4 44.7 35 35 A A E +a 2 0A 51 -34,-2.7 -32,-2.0 -2,-0.1 2,-0.3 -0.962 11.6 173.3-134.1 114.4 11.4 1.9 47.1 36 36 A Y E -a 3 0A 75 -2,-0.4 2,-0.4 -34,-0.2 -32,-0.2 -0.957 20.4-160.1-132.1 152.4 13.6 1.3 50.2 37 37 A E E -a 4 0A 117 -34,-1.9 -32,-2.9 -2,-0.3 2,-0.4 -0.988 17.7-136.5-128.6 133.5 13.5 -0.5 53.5 38 38 A V E -a 5 0A 81 -2,-0.4 -32,-0.2 -34,-0.2 -34,-0.0 -0.745 27.6-171.4 -91.1 133.4 15.7 0.2 56.5 39 39 A F - 0 0 31 -34,-2.0 2,-0.6 -2,-0.4 -31,-0.4 -0.816 29.4-101.5-121.3 160.8 17.1 -2.8 58.3 40 40 A P + 0 0 36 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.723 45.9 177.5 -77.9 117.1 19.1 -3.6 61.5 41 41 A F > - 0 0 1 -2,-0.6 3,-0.8 1,-0.2 12,-0.2 -0.997 42.2 -31.7-134.1 138.2 22.7 -4.1 60.7 42 42 A G T 3 S+ 0 0 0 10,-2.7 2,-1.7 -2,-0.4 -1,-0.2 0.868 123.7 5.6 30.5 123.4 25.7 -4.9 62.9 43 43 A G T 3> S+ 0 0 0 1,-0.2 4,-1.0 29,-0.1 -1,-0.2 -0.186 129.2 57.1 83.8 -55.2 25.8 -3.5 66.5 44 44 A A H <> S+ 0 0 45 -2,-1.7 4,-1.4 -3,-0.8 -1,-0.2 0.672 113.2 41.8 -76.4 -24.9 22.2 -2.1 66.3 45 45 A A H >>S+ 0 0 0 2,-0.2 4,-2.1 3,-0.2 6,-1.0 0.701 105.4 61.8 -93.0 -31.6 21.2 -5.6 65.5 46 46 A I H >5S+ 0 0 21 4,-0.3 4,-0.8 3,-0.2 -2,-0.2 0.923 111.0 44.6 -59.5 -35.1 23.5 -7.2 68.1 47 47 A D H <5S+ 0 0 82 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.994 125.2 28.9 -73.0 -55.6 21.3 -5.2 70.5 48 48 A A H <5S+ 0 0 74 -4,-1.4 -3,-0.2 1,-0.2 -2,-0.2 0.954 139.0 20.4 -72.1 -50.8 17.9 -6.0 69.1 49 49 A F H <5S- 0 0 97 -4,-2.1 -3,-0.2 2,-0.2 -1,-0.2 0.285 97.2-121.2-101.5 7.2 18.5 -9.4 67.6 50 50 A G S <> - 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.056 34.0-102.5 -60.2 159.4 19.9 -11.0 61.5 55 55 A E H 3> S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.785 118.5 52.1 -56.4 -38.0 17.6 -13.1 59.5 56 56 A P H 3> S+ 0 0 52 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.886 111.8 48.2 -61.0 -39.1 15.2 -10.1 58.4 57 57 A T H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.935 109.6 52.6 -65.7 -48.1 18.2 -8.1 57.2 58 58 A R H X S+ 0 0 105 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.848 111.3 46.4 -57.6 -40.3 19.5 -11.1 55.3 59 59 A K H X S+ 0 0 122 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.914 112.2 51.1 -70.6 -37.0 16.2 -11.6 53.5 60 60 A G H X S+ 0 0 3 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.807 110.1 48.0 -67.3 -38.4 16.0 -7.8 52.8 61 61 A V H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.892 112.8 50.3 -64.6 -44.2 19.4 -7.7 51.3 62 62 A E H < S+ 0 0 101 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.848 113.8 44.4 -66.7 -36.6 18.5 -10.8 49.2 63 63 A E H < S+ 0 0 138 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.691 99.4 87.1 -82.0 -23.2 15.3 -9.2 48.0 64 64 A A S < S- 0 0 8 -4,-1.4 -61,-0.2 -5,-0.1 3,-0.1 -0.448 72.6-136.6 -80.1 153.8 16.7 -5.8 47.1 65 65 A E S S+ 0 0 105 -63,-2.6 2,-0.3 1,-0.2 -62,-0.2 0.615 88.6 2.1 -76.0 -19.9 18.3 -4.7 43.9 66 66 A A E -b 3 0A 0 -64,-1.1 -62,-2.4 200,-0.2 2,-0.4 -0.967 66.1-131.4-163.4 154.1 21.1 -2.9 45.8 67 67 A V E -bc 4 268A 0 200,-2.4 202,-1.7 -2,-0.3 2,-0.6 -0.925 7.7-163.8-112.7 137.6 22.3 -2.2 49.4 68 68 A L E -bc 5 269A 2 -64,-2.2 -62,-1.4 -2,-0.4 2,-0.2 -0.946 21.3-172.0-119.9 102.8 23.3 1.2 50.8 69 69 A L E -b 6 0A 2 200,-2.5 224,-0.1 -2,-0.6 3,-0.0 -0.572 13.0-167.3 -94.5 158.5 25.2 0.5 53.9 70 70 A G E - 0 0 2 -64,-2.1 2,-0.4 -2,-0.2 -62,-0.2 0.373 47.9 -50.2-109.0-108.4 26.4 3.1 56.5 71 71 A S E -b 8 0A 3 -64,-1.6 -62,-1.4 -62,-0.4 2,-0.3 -0.997 43.3-163.5-143.5 136.9 29.0 2.1 59.1 72 72 A V + 0 0 20 -2,-0.4 203,-0.6 -64,-0.3 2,-0.1 -0.829 41.5 63.6-116.9 160.2 29.4 -0.6 61.7 73 73 A G + 0 0 6 -2,-0.3 3,-0.1 -31,-0.2 -63,-0.1 -0.312 38.9 162.5 114.8 161.6 31.4 -1.0 64.7 74 74 A G > - 0 0 8 1,-0.1 3,-2.2 -2,-0.1 13,-0.1 -0.713 51.0 -93.9 157.2 152.9 31.9 0.5 68.0 75 75 A P G >> S+ 0 0 93 0, 0.0 3,-2.5 0, 0.0 4,-0.6 0.844 113.6 69.0 -46.7 -45.3 33.2 0.2 71.6 76 76 A K G 34 S+ 0 0 130 1,-0.3 -33,-0.0 2,-0.1 -2,-0.0 0.584 115.2 25.9 -52.7 -21.8 29.8 -1.1 72.8 77 77 A W G <4 S+ 0 0 29 -3,-2.2 -1,-0.3 3,-0.1 3,-0.2 0.039 93.3 104.0-133.0 27.4 30.6 -4.3 70.9 78 78 A D T <4 S+ 0 0 73 -3,-2.5 2,-1.6 1,-0.3 -2,-0.1 0.964 76.0 49.3 -82.8 -47.2 34.3 -4.5 70.7 79 79 A G S < S+ 0 0 76 -4,-0.6 -1,-0.3 2,-0.0 0, 0.0 -0.784 89.3 117.4 -88.2 83.5 35.3 -7.0 73.2 80 80 A L S S- 0 0 67 -2,-1.6 2,-0.5 -3,-0.2 5,-0.1 -0.828 77.8 -70.1-127.9-177.2 32.8 -9.6 72.0 81 81 A P >> - 0 0 52 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.773 44.6-125.6 -66.9 129.7 33.2 -13.1 70.5 82 82 A R T 34 S+ 0 0 201 -2,-0.5 3,-0.2 1,-0.3 6,-0.1 0.627 106.5 65.0 -51.9 -18.8 34.6 -12.8 67.1 83 83 A K T 34 S+ 0 0 159 1,-0.2 -1,-0.3 5,-0.0 -32,-0.0 0.914 110.0 33.0 -70.7 -42.3 31.6 -14.8 65.8 84 84 A I T <4 S+ 0 0 43 -3,-1.6 -2,-0.2 -33,-0.1 -1,-0.2 0.324 85.6 128.8-102.6 7.8 29.0 -12.2 66.7 85 85 A R >X - 0 0 58 -4,-0.6 4,-1.5 -3,-0.2 3,-1.0 -0.311 64.1-125.2 -66.0 148.0 31.0 -8.9 66.2 86 86 A P T 34 S+ 0 0 0 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.809 112.8 57.6 -54.1 -29.4 29.3 -6.1 64.0 87 87 A E T 3> S+ 0 0 63 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.738 101.9 49.3 -80.2 -35.9 32.4 -6.1 62.0 88 88 A T H X> S+ 0 0 33 -3,-1.0 4,-2.4 1,-0.2 3,-0.5 0.823 102.2 63.6 -80.5 -27.2 32.3 -9.9 61.1 89 89 A G H 3X S+ 0 0 1 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.668 97.4 59.2 -63.9 -18.4 28.6 -9.5 60.0 90 90 A L H 3> S+ 0 0 32 -3,-0.3 4,-1.5 -4,-0.2 -1,-0.2 0.842 105.0 46.7 -77.1 -37.3 30.1 -7.1 57.3 91 91 A L H S+ 0 0 45 -4,-1.5 5,-1.4 2,-0.2 3,-0.5 0.936 117.3 49.7 -74.4 -39.2 29.9 -9.5 51.2 95 95 A K H ><5S+ 0 0 98 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.912 107.1 53.9 -69.3 -38.2 30.5 -13.3 51.4 96 96 A S H 3<5S+ 0 0 37 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.774 112.0 46.0 -65.0 -25.6 26.8 -14.1 51.2 97 97 A Q T 3<5S- 0 0 3 -4,-0.9 168,-3.2 -3,-0.5 167,-0.4 0.456 107.2-123.7 -98.7 3.7 26.5 -12.0 48.0 98 98 A D T < 5 - 0 0 92 -3,-1.4 166,-2.6 -4,-0.4 2,-0.6 0.979 40.9-179.9 53.7 57.3 29.6 -13.4 46.3 99 99 A L E < +D 263 0A 0 -5,-1.4 164,-0.3 164,-0.3 -1,-0.2 -0.851 13.6 163.3 -94.3 119.0 31.2 -9.9 45.9 100 100 A F E + 0 0 15 162,-1.2 34,-2.4 -2,-0.6 35,-0.5 0.426 53.8 62.6-116.9 -7.5 34.5 -10.3 44.1 101 101 A A E -DE 262 133A 0 161,-2.0 161,-2.2 32,-0.2 2,-0.6 -0.989 60.0-162.1-123.4 124.6 35.3 -6.8 42.9 102 102 A N E -DE 261 132A 15 30,-2.8 30,-2.4 -2,-0.4 2,-0.6 -0.928 8.4-159.1-104.2 118.2 35.8 -3.8 45.2 103 103 A L E +DE 260 131A 0 157,-3.0 157,-1.5 -2,-0.6 28,-0.2 -0.871 16.1 170.5 -99.5 116.6 35.6 -0.4 43.6 104 104 A R E - E 0 130A 33 26,-2.2 26,-1.9 -2,-0.6 2,-0.2 -0.903 13.0-163.1-130.4 102.7 37.2 2.5 45.4 105 105 A P E - E 0 129A 23 0, 0.0 2,-0.5 0, 0.0 24,-0.2 -0.560 5.3-160.3 -84.4 146.6 37.6 5.9 43.6 106 106 A A E + E 0 128A 2 22,-2.5 22,-2.2 -2,-0.2 2,-0.4 -0.974 19.6 175.2-126.3 114.8 39.9 8.7 44.7 107 107 A K E - E 0 127A 55 -2,-0.5 2,-0.8 20,-0.2 20,-0.2 -0.981 28.0-154.2-127.5 133.4 39.0 12.1 43.4 108 108 A V - 0 0 7 18,-2.6 17,-0.5 -2,-0.4 5,-0.1 -0.918 28.9-144.8-100.5 100.5 40.4 15.6 44.0 109 109 A F > - 0 0 7 -2,-0.8 3,-2.4 3,-0.1 4,-0.2 -0.332 33.7 -82.5 -64.3 150.2 37.4 17.8 43.3 110 110 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 -0.278 118.7 17.4 -55.4 131.8 38.2 21.2 41.7 111 111 A G T 3 S+ 0 0 38 -3,-0.1 3,-0.3 1,-0.1 -2,-0.1 0.308 105.4 90.5 87.9 -12.1 39.3 23.7 44.3 112 112 A L X + 0 0 3 -3,-2.4 3,-1.7 1,-0.2 4,-0.4 0.292 48.3 105.4-102.1 17.7 40.0 21.0 46.8 113 113 A E G > + 0 0 19 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.670 66.2 73.4 -63.9 -23.8 43.7 20.5 45.8 114 114 A R G 3 S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.767 93.5 54.4 -65.9 -25.8 44.8 22.3 48.9 115 115 A L G < S+ 0 0 38 -3,-1.7 -1,-0.3 136,-0.1 -2,-0.2 0.695 86.6 97.4 -81.6 -20.8 43.7 19.2 50.9 116 116 A S S < S- 0 0 10 -3,-0.7 134,-0.1 -4,-0.4 7,-0.1 -0.396 75.6-134.1 -68.6 143.3 45.8 16.7 49.0 117 117 A P S S+ 0 0 92 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.711 89.4 81.6 -64.9 -17.5 49.2 15.8 50.5 118 118 A L S S- 0 0 26 132,-0.3 -2,-0.1 1,-0.1 5,-0.1 -0.578 100.1 -87.9 -87.4 150.1 50.5 16.3 47.0 119 119 A K >> - 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0 0 28 -266,-0.2 3,-1.4 1,-0.1 4,-1.0 0.844 13.1-172.8 37.0 68.7 33.4 7.4 64.1 277 277 A P T 34 S+ 0 0 74 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.811 75.9 66.8 -60.3 -32.3 32.1 7.1 67.7 278 278 A D T 34 S+ 0 0 114 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.780 112.3 28.4 -63.4 -31.0 33.9 10.3 68.7 279 279 A I T X4 S+ 0 0 42 -3,-1.4 3,-1.7 2,-0.0 5,-0.5 0.474 90.3 127.9-110.6 -0.8 31.9 12.6 66.5 280 280 A A T 3< S+ 0 0 37 -4,-1.0 -269,-0.1 1,-0.3 -4,-0.1 -0.210 77.5 12.0 -58.0 141.1 28.6 10.6 66.5 281 281 A G T 3 S+ 0 0 71 -271,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.229 97.6 104.6 73.0 -11.3 25.5 12.5 67.5 282 282 A K S < S- 0 0 131 -3,-1.7 -2,-0.1 1,-0.1 -1,-0.1 0.389 85.0-128.4 -77.9 3.5 27.4 15.9 67.2 283 283 A G S S+ 0 0 38 -4,-0.1 50,-1.0 1,-0.1 51,-0.3 0.792 84.1 97.4 55.2 32.8 25.7 16.7 63.8 284 284 A I + 0 0 61 -5,-0.5 42,-0.3 48,-0.3 -1,-0.1 0.561 40.5 127.5-125.9 -10.5 29.0 17.4 62.1 285 285 A A - 0 0 1 -6,-0.3 -9,-0.0 1,-0.1 -4,-0.0 -0.160 65.9-113.7 -50.6 135.0 30.0 14.2 60.2 286 286 A N - 0 0 8 1,-0.1 3,-0.5 38,-0.1 4,-0.3 -0.686 25.2-165.7 -77.0 113.4 30.8 14.8 56.5 287 287 A P > + 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.380 62.1 100.9 -80.1 1.6 28.0 13.0 54.5 288 288 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 78.1 52.2 -58.7 -41.9 30.0 13.2 51.2 289 289 A A H > S+ 0 0 0 -34,-1.5 4,-1.2 -3,-0.5 -1,-0.2 0.920 113.9 44.6 -63.2 -36.5 31.3 9.7 51.2 290 290 A A H > S+ 0 0 4 -4,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.877 113.0 49.1 -73.6 -40.8 27.7 8.4 51.7 291 291 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.885 112.4 48.7 -68.0 -37.5 26.1 10.6 49.1 292 292 A L H X S+ 0 0 13 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.758 107.4 55.9 -74.7 -22.7 28.8 9.6 46.6 293 293 A S H X S+ 0 0 0 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.819 107.8 48.9 -69.2 -36.5 28.1 5.9 47.5 294 294 A A H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.860 110.4 50.4 -70.4 -39.1 24.5 6.5 46.6 295 295 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.915 108.0 53.0 -63.4 -39.5 25.7 8.1 43.3 296 296 A M H X S+ 0 0 11 -4,-1.9 4,-2.9 1,-0.2 5,-0.4 0.820 107.1 53.4 -65.9 -28.2 27.9 5.0 42.8 297 297 A M H X>S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 5,-1.5 0.921 106.2 51.3 -70.2 -45.4 24.7 2.9 43.3 298 298 A L H <5S+ 0 0 1 -4,-2.1 6,-2.3 3,-0.2 4,-0.4 0.940 118.7 38.9 -56.5 -41.9 22.9 4.9 40.6 299 299 A E H <5S+ 0 0 9 -4,-2.3 4,-0.4 4,-0.2 -2,-0.2 0.914 128.0 25.9 -78.3 -44.7 25.8 4.3 38.2 300 300 A H H <5S+ 0 0 32 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.775 128.7 37.1 -97.7 -31.1 26.8 0.7 38.9 301 301 A A T <5S+ 0 0 28 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.827 134.3 20.4 -88.6 -31.4 23.7 -0.9 40.3 302 302 A F S + 0 0 60 -6,-2.3 4,-1.7 1,-0.2 3,-0.2 -0.443 15.5 159.9 -77.4 67.1 21.9 5.7 35.7 305 305 A V H > + 0 0 32 -2,-2.0 4,-2.0 -6,-0.2 -1,-0.2 0.876 65.7 49.9 -65.1 -41.0 25.2 7.4 34.8 306 306 A E H > S+ 0 0 151 1,-0.2 4,-0.9 -3,-0.2 -1,-0.2 0.836 113.4 48.1 -71.6 -25.3 24.1 11.0 34.0 307 307 A L H > S+ 0 0 17 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.828 109.2 53.2 -76.9 -36.1 22.2 11.1 37.3 308 308 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.882 112.0 46.1 -62.5 -39.2 25.2 9.7 39.2 309 309 A R H X S+ 0 0 63 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.737 107.0 57.0 -76.2 -25.7 27.3 12.5 37.6 310 310 A K H X S+ 0 0 82 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.941 107.9 48.4 -70.6 -48.7 24.7 15.1 38.5 311 311 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.865 109.9 53.0 -59.3 -36.4 24.9 14.1 42.1 312 312 A E H X S+ 0 0 33 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.885 110.0 47.1 -70.0 -35.8 28.8 14.3 41.9 313 313 A D H X S+ 0 0 101 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.894 110.9 50.8 -69.1 -41.0 28.7 17.9 40.5 314 314 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 112.7 47.3 -62.7 -43.6 26.2 19.0 43.2 315 315 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.897 110.0 54.0 -64.5 -37.8 28.5 17.5 45.8 316 316 A A H X S+ 0 0 18 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.867 111.4 43.8 -64.2 -36.2 31.5 19.2 44.2 317 317 A K H X S+ 0 0 116 -4,-2.2 4,-2.0 2,-0.2 3,-0.3 0.884 111.7 54.0 -74.5 -37.7 29.8 22.6 44.3 318 318 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.915 103.3 56.0 -62.4 -43.5 28.6 22.0 47.9 319 319 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.799 113.5 42.0 -61.9 -29.8 32.2 21.2 49.1 320 320 A L H < S+ 0 0 94 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.805 119.3 43.2 -84.5 -29.5 33.3 24.6 47.8 321 321 A E H < S+ 0 0 95 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.940 134.8 5.8 -84.3 -51.4 30.2 26.6 49.0 322 322 A T S < S- 0 0 40 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.630 79.5-163.3-132.8 80.0 29.8 25.2 52.5 323 323 A P - 0 0 27 0, 0.0 8,-2.0 0, 0.0 7,-0.5 -0.332 22.8-113.9 -65.1 139.7 32.6 22.8 53.4 324 324 A P > > - 0 0 1 0, 0.0 5,-2.3 0, 0.0 3,-1.6 -0.124 36.4 -97.2 -60.9 166.3 32.2 20.4 56.4 325 325 A P G > 5S+ 0 0 51 0, 0.0 3,-1.7 0, 0.0 -40,-0.1 0.841 121.4 62.3 -56.6 -33.4 34.4 20.9 59.5 326 326 A D G 3 5S+ 0 0 67 -42,-0.3 -71,-0.1 1,-0.3 -72,-0.1 0.473 103.4 48.0 -74.6 -7.1 36.9 18.2 58.4 327 327 A L G < 5S- 0 0 4 -3,-1.6 -1,-0.3 -74,-0.1 3,-0.1 -0.026 131.9 -94.0-113.5 24.7 37.7 20.2 55.3 328 328 A G T < 5S+ 0 0 72 -3,-1.7 -2,-0.1 1,-0.2 2,-0.0 0.464 93.0 109.6 82.0 -4.0 38.2 23.3 57.4 329 329 A G < - 0 0 21 -5,-2.3 -1,-0.2 2,-0.1 -7,-0.1 -0.094 69.0-125.1 -87.8-160.7 34.6 24.7 57.1 330 330 A S + 0 0 121 -7,-0.5 2,-0.4 -3,-0.1 -1,-0.0 0.356 60.3 126.5-127.8 0.6 31.8 25.0 59.6 331 331 A A - 0 0 12 -8,-2.0 -2,-0.1 4,-0.1 -9,-0.0 -0.520 47.1-147.0 -74.7 121.7 28.9 23.2 57.8 332 332 A G > - 0 0 17 -2,-0.4 4,-2.8 -8,-0.2 -48,-0.3 -0.188 37.2 -88.3 -74.2 177.2 27.2 20.4 59.8 333 333 A T H > S+ 0 0 11 -50,-1.0 4,-2.5 1,-0.2 5,-0.2 0.910 127.7 42.6 -58.6 -42.9 25.7 17.3 58.2 334 334 A E H > S+ 0 0 146 -51,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.933 113.8 48.0 -69.8 -47.2 22.3 19.0 57.7 335 335 A A H > S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.905 116.1 46.9 -60.6 -38.7 23.5 22.4 56.5 336 336 A F H >X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 3,-0.8 0.935 108.4 52.2 -71.5 -46.6 25.9 20.6 54.0 337 337 A T H 3X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.3 5,-0.2 0.905 107.7 55.8 -56.6 -38.4 23.2 18.1 52.7 338 338 A A H 3X S+ 0 0 40 -4,-2.2 4,-1.5 1,-0.2 -1,-0.3 0.804 103.7 52.0 -63.6 -31.7 21.0 21.2 52.0 339 339 A T H X S+ 0 0 0 -4,-1.7 3,-0.7 2,-0.2 4,-0.6 0.978 110.6 47.3 -62.6 -52.5 23.9 19.6 47.9 341 341 A L H >X S+ 0 0 51 -4,-2.5 4,-2.3 1,-0.3 3,-0.6 0.806 106.7 58.7 -62.1 -28.6 20.1 19.5 47.3 342 342 A R H 3< S+ 0 0 130 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.898 107.7 47.3 -67.5 -36.8 20.2 23.2 46.3 343 343 A H H << S+ 0 0 44 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.544 108.5 54.1 -84.6 -6.9 22.6 22.2 43.6 344 344 A L H << 0 0 31 -4,-0.6 -2,-0.2 -3,-0.6 -1,-0.2 0.894 360.0 360.0 -84.5 -46.4 20.4 19.3 42.5 345 345 A A < 0 0 141 -4,-2.3 -2,-0.2 0, 0.0 -3,-0.1 0.948 360.0 360.0 -54.2 360.0 17.3 21.5 42.0