==== 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 OXIDOREDUCTASE 10-OCT-08 2ZTW . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.NANGO,T.KUMASAKA,T.EGUCHI . 345 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 74.2 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 . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 36.2 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 0 1 0 1 1 1 2 0 1 1 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 33 0, 0.0 34,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 78.1 -8.3 11.9 9.4 2 2 A K E -a 35 0A 66 32,-0.2 63,-1.5 61,-0.1 64,-1.1 -0.839 360.0-176.4 -96.9 115.5 -6.1 12.7 12.4 3 3 A V E -ab 36 66A 2 32,-2.6 34,-1.6 -2,-0.7 2,-0.6 -0.952 23.5-149.3-118.3 131.3 -8.2 14.5 15.0 4 4 A A E -ab 37 67A 0 62,-2.4 64,-2.2 -2,-0.5 2,-0.6 -0.887 22.8-152.6 -89.7 125.9 -7.1 15.9 18.3 5 5 A V E -ab 38 68A 0 32,-3.0 34,-2.2 -2,-0.6 64,-0.2 -0.902 16.1-177.4-110.9 119.8 -10.1 15.6 20.6 6 6 A L E + b 0 69A 0 62,-2.7 64,-2.6 -2,-0.6 32,-0.1 -0.642 8.5 169.3-118.7 74.0 -10.3 18.1 23.4 7 7 A P E + 0 0 17 0, 0.0 64,-1.5 0, 0.0 2,-0.3 0.824 19.5 172.7 -62.0 -37.8 -13.5 17.3 25.5 8 8 A G E - b 0 71A 9 31,-0.4 64,-0.3 62,-0.2 2,-0.2 -0.485 34.6 -19.8 74.9-125.1 -12.6 19.6 28.4 9 9 A D S > S- 0 0 11 62,-3.5 3,-2.6 -2,-0.3 62,-0.2 -0.711 96.3 -0.1-129.9 167.7 -15.2 20.2 31.1 10 10 A G T 3 S- 0 0 28 1,-0.3 4,-0.4 -2,-0.2 271,-0.2 -0.347 131.9 -7.4 61.9-123.1 -18.8 20.0 32.2 11 11 A I T 3> S+ 0 0 8 264,-2.2 4,-2.8 1,-0.2 5,-0.4 0.574 113.4 99.3 -81.8 -8.7 -20.9 18.6 29.4 12 12 A G H <> S+ 0 0 0 -3,-2.6 4,-2.7 1,-0.2 5,-0.2 0.887 86.0 38.6 -39.5 -60.9 -17.8 18.8 27.1 13 13 A P H > S+ 0 0 58 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.880 114.3 56.4 -67.4 -33.0 -16.9 15.2 27.3 14 14 A E H > S+ 0 0 44 -4,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.951 117.0 33.2 -58.5 -53.3 -20.6 14.1 27.2 15 15 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.844 116.1 55.9 -76.2 -37.9 -21.3 15.8 24.0 16 16 A T H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.4 3,-0.5 0.975 106.2 53.3 -53.9 -51.2 -17.9 15.3 22.5 17 17 A E H X S+ 0 0 70 -4,-2.8 4,-2.5 1,-0.3 -2,-0.2 0.851 105.7 53.0 -55.5 -36.8 -18.5 11.6 23.1 18 18 A A H X S+ 0 0 2 -4,-1.2 4,-1.8 2,-0.2 -1,-0.3 0.923 107.7 50.9 -65.6 -40.4 -21.7 11.8 21.2 19 19 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 -3,-0.5 -2,-0.2 0.886 109.4 51.2 -62.7 -44.0 -19.9 13.3 18.2 20 20 A L H X S+ 0 0 4 -4,-2.2 4,-4.1 2,-0.2 5,-0.3 0.906 103.5 56.3 -59.0 -47.0 -17.3 10.6 18.2 21 21 A K H X S+ 0 0 64 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.952 112.6 45.2 -48.5 -44.5 -20.0 7.9 18.2 22 22 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.945 114.6 45.3 -67.6 -49.5 -21.1 9.6 15.1 23 23 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.855 115.2 49.6 -57.3 -40.6 -17.6 10.0 13.6 24 24 A R H X S+ 0 0 68 -4,-4.1 4,-2.7 2,-0.2 5,-0.2 0.952 110.0 48.4 -66.3 -49.3 -16.9 6.4 14.5 25 25 A A H X S+ 0 0 34 -4,-3.0 4,-2.0 -5,-0.3 5,-0.2 0.932 113.7 49.4 -53.3 -44.4 -20.1 5.0 13.0 26 26 A L H X S+ 0 0 3 -4,-2.5 4,-1.9 -5,-0.2 5,-0.4 0.897 108.3 53.6 -65.8 -42.3 -19.2 7.1 9.9 27 27 A D H X S+ 0 0 39 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.950 111.0 44.3 -51.8 -55.6 -15.7 5.7 9.9 28 28 A E H < S+ 0 0 165 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.844 118.5 42.5 -63.6 -35.9 -16.8 2.0 9.9 29 29 A A H < S+ 0 0 79 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.764 131.2 21.5 -82.7 -27.0 -19.5 2.5 7.3 30 30 A E H < S- 0 0 101 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.514 100.0-125.6-121.0 -14.7 -17.6 4.7 4.9 31 31 A G < + 0 0 58 -4,-2.6 2,-0.3 -5,-0.4 -3,-0.1 0.963 39.8 168.5 58.8 94.4 -14.0 4.0 5.8 32 32 A L - 0 0 32 -5,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.751 52.2 -98.9-121.5 173.3 -12.1 7.2 6.5 33 33 A G + 0 0 49 -2,-0.3 -6,-0.0 2,-0.1 -2,-0.0 0.482 57.5 170.4 -70.8 5.6 -8.7 7.7 8.1 34 34 A L + 0 0 22 -11,-0.1 2,-0.3 -32,-0.1 -32,-0.2 0.204 9.0 149.5 -36.9 107.3 -10.4 8.3 11.4 35 35 A A E +a 2 0A 47 -34,-3.0 -32,-2.6 2,-0.0 2,-0.3 -0.982 16.4 161.1-132.2 138.1 -7.6 8.3 13.9 36 36 A Y E -a 3 0A 77 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.994 25.3-154.2-157.6 161.0 -7.9 10.4 17.0 37 37 A E E -a 4 0A 116 -34,-1.6 -32,-3.0 -2,-0.3 2,-0.7 -0.999 20.9-126.4-144.5 141.1 -6.6 11.0 20.5 38 38 A V E -a 5 0A 85 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.1 -0.777 27.8-173.6 -93.6 113.6 -8.1 12.5 23.6 39 39 A F - 0 0 25 -34,-2.2 2,-0.5 -2,-0.7 -31,-0.4 -0.779 28.9-112.5-103.5 150.1 -6.1 15.3 25.1 40 40 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.703 43.0 175.8 -80.9 129.5 -6.9 17.0 28.4 41 41 A F > - 0 0 0 -2,-0.5 3,-0.6 12,-0.1 4,-0.5 -0.905 42.6 -10.5-132.3 155.1 -7.9 20.6 27.9 42 42 A G T >> S- 0 0 0 10,-1.7 4,-2.2 -2,-0.3 3,-0.6 -0.261 128.5 -1.2 62.9-136.8 -9.1 23.5 30.1 43 43 A G H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.939 133.2 56.4 -49.8 -56.9 -10.1 22.5 33.7 44 44 A A H <> S+ 0 0 38 -3,-0.6 4,-1.0 1,-0.3 -1,-0.3 0.851 110.6 47.2 -44.1 -40.6 -9.4 18.8 33.1 45 45 A A H <> S+ 0 0 0 -3,-0.6 4,-1.3 -4,-0.5 6,-0.6 0.894 110.2 50.6 -71.8 -42.4 -5.9 19.9 32.2 46 46 A I H >X S+ 0 0 19 -4,-2.2 4,-2.4 4,-0.2 3,-1.4 0.985 105.4 57.4 -56.5 -58.8 -5.5 22.2 35.2 47 47 A D H 3< S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 122.6 25.2 -36.6 -42.5 -6.5 19.4 37.5 48 48 A A H 3< S+ 0 0 75 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.348 135.7 26.1-113.0 2.0 -3.7 17.2 36.3 49 49 A F H << S- 0 0 90 -3,-1.4 -3,-0.2 -4,-1.3 -2,-0.2 0.340 92.7-117.6-146.9 2.7 -1.0 19.6 34.9 50 50 A G S < S+ 0 0 57 -4,-2.4 -4,-0.2 -5,-0.2 -3,-0.1 0.357 93.2 70.7 67.4 -5.2 -1.4 23.0 36.8 51 51 A E S S- 0 0 48 -6,-0.6 -3,-0.1 -5,-0.2 -2,-0.1 -0.981 75.9-134.3-144.5 154.5 -2.2 24.6 33.4 52 52 A P S S+ 0 0 7 0, 0.0 -10,-1.7 0, 0.0 -7,-0.2 0.694 97.7 43.2 -87.8 -19.8 -5.0 24.6 30.9 53 53 A F S S- 0 0 10 -12,-0.2 -12,-0.1 -8,-0.1 5,-0.1 -0.583 81.0-168.0-123.8 71.7 -3.1 24.2 27.6 54 54 A P > - 0 0 0 0, 0.0 4,-3.6 0, 0.0 3,-0.3 -0.128 31.4-116.8 -66.4 155.5 -0.5 21.5 28.2 55 55 A E H > S+ 0 0 91 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.750 115.4 57.1 -61.9 -31.1 2.4 20.7 25.8 56 56 A P H > S+ 0 0 52 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.913 114.6 39.7 -61.8 -42.6 1.1 17.2 25.2 57 57 A T H > S+ 0 0 0 -3,-0.3 4,-3.1 2,-0.2 -2,-0.2 0.905 114.9 52.5 -68.2 -47.0 -2.1 18.7 24.1 58 58 A R H X S+ 0 0 95 -4,-3.6 4,-1.9 1,-0.2 -3,-0.2 0.914 111.1 48.0 -55.7 -42.4 -0.2 21.5 22.3 59 59 A K H X S+ 0 0 133 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.943 112.1 49.2 -61.9 -47.6 1.7 18.8 20.6 60 60 A G H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.893 109.2 51.4 -59.8 -46.5 -1.5 16.9 19.7 61 61 A V H < S+ 0 0 0 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.957 111.2 47.7 -53.1 -57.4 -3.2 20.0 18.2 62 62 A E H < S+ 0 0 109 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.904 116.4 41.5 -51.5 -53.0 -0.2 20.9 16.0 63 63 A E H < S+ 0 0 127 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.867 99.8 87.2 -72.6 -38.0 0.2 17.5 14.6 64 64 A A S < S- 0 0 2 -4,-2.8 -61,-0.2 -5,-0.2 3,-0.1 -0.276 73.5-139.3 -58.8 143.9 -3.5 16.8 14.2 65 65 A E S S+ 0 0 104 -63,-1.5 2,-0.3 1,-0.2 -62,-0.2 0.586 87.2 12.8 -76.2 -18.1 -5.3 17.9 10.9 66 66 A A E -b 3 0A 0 -64,-1.1 -62,-2.4 200,-0.2 2,-0.5 -0.958 66.2-138.6-156.9 145.4 -8.3 19.0 13.0 67 67 A V E -bc 4 268A 0 200,-2.8 202,-2.6 -2,-0.3 2,-0.8 -0.935 7.0-161.3-104.2 124.9 -9.3 19.7 16.6 68 68 A L E -bc 5 269A 2 -64,-2.2 -62,-2.7 -2,-0.5 2,-0.3 -0.937 22.7-167.6 -97.2 106.5 -12.7 18.6 17.9 69 69 A L E -b 6 0A 3 200,-2.6 224,-0.1 -2,-0.8 -64,-0.0 -0.704 16.3-169.5 -93.7 147.3 -13.2 20.8 21.0 70 70 A G E - 0 0 0 -64,-2.6 2,-0.3 -2,-0.3 -62,-0.2 0.567 46.5 -75.7 -93.1-110.6 -15.8 20.3 23.7 71 71 A S E -b 8 0A 6 -64,-1.5 -62,-3.5 -62,-0.2 2,-0.2 -0.967 40.1-154.2-153.4 157.5 -16.0 23.1 26.2 72 72 A V + 0 0 15 -2,-0.3 203,-0.6 -64,-0.3 -30,-0.1 -0.762 39.7 61.5-126.3 167.9 -14.0 24.3 29.1 73 73 A G + 0 0 5 -2,-0.2 3,-0.1 201,-0.1 -2,-0.0 -0.155 35.8 163.3 106.7 167.5 -14.4 26.2 32.4 74 74 A G > - 0 0 9 1,-0.1 3,-1.4 -2,-0.1 4,-0.4 -0.772 52.9 -76.7 155.6 161.2 -16.4 26.1 35.6 75 75 A P G >> S+ 0 0 93 0, 0.0 3,-2.1 0, 0.0 2,-0.7 0.867 116.7 68.3 -43.3 -49.9 -16.8 27.3 39.3 76 76 A K G 34 S+ 0 0 133 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.189 114.8 27.1 -64.9 18.6 -13.9 25.1 40.5 77 77 A W G <4 S+ 0 0 33 -3,-1.4 -1,-0.3 -2,-0.7 3,-0.2 0.280 90.0 99.4-154.8 0.8 -11.4 27.4 38.5 78 78 A D T <4 S+ 0 0 81 -3,-2.1 2,-1.2 -4,-0.4 -2,-0.1 0.834 79.1 58.2 -73.3 -33.2 -13.1 30.8 38.3 79 79 A G S < S+ 0 0 80 -4,-0.6 -1,-0.3 2,-0.0 -3,-0.0 -0.650 88.9 108.3 -92.3 72.9 -11.1 32.3 41.1 80 80 A L S S- 0 0 61 -2,-1.2 5,-0.2 -3,-0.2 -3,-0.1 -0.964 80.8 -71.4-143.5 157.1 -7.7 31.7 39.5 81 81 A P >> - 0 0 84 0, 0.0 3,-4.0 0, 0.0 4,-1.0 -0.292 41.7-126.7 -51.1 123.6 -4.9 33.8 37.8 82 82 A R G >4 S+ 0 0 113 1,-0.3 3,-1.1 2,-0.2 6,-0.3 0.862 109.7 62.0 -34.0 -55.8 -6.0 35.1 34.4 83 83 A K G 34 S+ 0 0 190 1,-0.2 -1,-0.3 5,-0.1 0, 0.0 0.612 114.5 33.2 -48.9 -15.7 -2.9 33.6 32.8 84 84 A I G <4 S+ 0 0 43 -3,-4.0 -1,-0.2 -33,-0.1 -2,-0.2 0.521 84.4 118.1-128.0 -5.6 -4.1 30.2 33.9 85 85 A R S XX S- 0 0 65 -3,-1.1 3,-1.4 -4,-1.0 4,-1.0 -0.284 75.1-112.2 -61.8 146.5 -7.9 30.1 33.7 86 86 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.812 116.8 61.3 -50.1 -34.1 -9.5 27.6 31.2 87 87 A E H 3> S+ 0 0 59 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.839 99.8 52.7 -63.7 -34.9 -10.8 30.6 29.1 88 88 A T H <> S+ 0 0 26 -3,-1.4 4,-2.5 -6,-0.3 -1,-0.3 0.736 101.7 62.4 -75.2 -20.5 -7.2 31.7 28.5 89 89 A G H X S+ 0 0 0 -4,-1.0 4,-2.9 -3,-0.4 -2,-0.2 0.960 104.4 46.3 -57.9 -55.7 -6.7 28.1 27.4 90 90 A L H X S+ 0 0 32 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.887 112.9 51.0 -48.5 -46.7 -9.2 28.7 24.6 91 91 A L H X S+ 0 0 76 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.922 112.8 43.6 -66.6 -43.9 -7.4 32.0 23.8 92 92 A S H X S+ 0 0 58 -4,-2.5 4,-3.6 2,-0.2 -1,-0.2 0.910 113.0 53.2 -65.7 -43.7 -4.0 30.4 23.6 93 93 A L H X S+ 0 0 1 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.963 113.0 42.7 -54.7 -56.3 -5.3 27.5 21.6 94 94 A R H ><>S+ 0 0 60 -4,-2.8 3,-1.0 1,-0.2 5,-0.9 0.926 118.1 45.0 -58.8 -51.2 -6.9 29.8 19.0 95 95 A K H ><5S+ 0 0 108 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.889 103.9 64.7 -55.7 -45.2 -3.9 32.2 18.9 96 96 A S H 3<5S+ 0 0 44 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.775 112.3 34.8 -54.2 -28.9 -1.5 29.2 18.7 97 97 A Q T <<5S- 0 0 1 -4,-1.0 168,-2.6 -3,-1.0 167,-0.4 0.399 104.4-126.0-106.5 3.1 -3.1 28.3 15.3 98 98 A D T < 5 - 0 0 79 -3,-1.6 166,-2.1 -4,-0.4 2,-0.7 0.968 35.2-174.1 44.0 68.2 -3.8 31.9 13.9 99 99 A L E < +D 263 0A 2 -5,-0.9 164,-0.3 164,-0.3 -1,-0.2 -0.856 15.4 167.3 -92.1 115.1 -7.4 31.2 13.3 100 100 A F E + 0 0 17 162,-1.5 34,-2.3 -2,-0.7 2,-0.5 0.411 54.3 70.5-113.8 -2.4 -8.7 34.3 11.6 101 101 A A E -DE 262 133A 0 161,-2.5 161,-2.6 32,-0.2 2,-0.6 -0.937 56.5-169.7-126.5 112.8 -12.1 32.9 10.4 102 102 A N E -DE 261 132A 12 30,-3.2 30,-3.6 -2,-0.5 2,-0.5 -0.899 6.9-164.8-103.7 123.1 -15.0 32.1 12.6 103 103 A L E +DE 260 131A 0 157,-2.8 157,-2.1 -2,-0.6 28,-0.2 -0.919 12.0 171.9-106.1 118.5 -17.9 30.3 11.0 104 104 A R E - E 0 130A 38 26,-2.7 26,-2.7 -2,-0.5 2,-0.4 -0.931 13.7-160.4-129.1 110.2 -21.2 30.1 12.8 105 105 A P E - E 0 129A 20 0, 0.0 2,-0.6 0, 0.0 24,-0.2 -0.752 3.5-161.8 -91.2 134.1 -24.3 28.7 11.1 106 106 A A E + E 0 128A 1 22,-2.8 22,-2.0 -2,-0.4 2,-0.4 -0.963 20.6 175.7-110.6 115.7 -27.7 29.5 12.3 107 107 A K E - E 0 127A 60 -2,-0.6 2,-0.8 20,-0.2 20,-0.2 -0.983 27.6-157.1-127.6 134.0 -30.2 26.9 10.9 108 108 A V - 0 0 4 18,-2.4 17,-0.5 -2,-0.4 5,-0.1 -0.849 28.0-143.8-101.7 95.5 -33.9 26.4 11.6 109 109 A F > - 0 0 6 -2,-0.8 3,-2.7 3,-0.2 4,-0.2 -0.215 34.0 -83.6 -61.4 149.7 -34.4 22.7 10.7 110 110 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 -0.252 119.9 19.6 -51.7 130.3 -37.8 21.8 9.0 111 111 A G T 3 S+ 0 0 35 -3,-0.1 3,-0.3 209,-0.0 -2,-0.1 0.291 104.5 88.1 90.5 -8.8 -40.4 21.4 11.7 112 112 A L X + 0 0 2 -3,-2.7 3,-1.5 1,-0.2 4,-0.3 0.228 49.1 106.3-106.6 13.9 -38.4 23.3 14.3 113 113 A E G > + 0 0 15 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.868 67.4 72.3 -58.0 -35.1 -39.9 26.7 13.3 114 114 A R G 3 S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.819 93.6 56.3 -49.5 -32.4 -41.9 26.5 16.5 115 115 A L G < S+ 0 0 35 -3,-1.5 -1,-0.3 136,-0.1 -2,-0.2 0.630 85.2 98.6 -74.9 -17.8 -38.6 27.2 18.4 116 116 A S S < S- 0 0 13 -3,-2.2 134,-0.1 -4,-0.3 4,-0.1 -0.418 71.9-137.6 -77.7 148.2 -37.6 30.4 16.8 117 117 A P S S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 133,-0.1 0.738 91.4 80.3 -64.1 -20.7 -38.3 33.8 18.3 118 118 A L S S- 0 0 27 132,-0.4 -2,-0.1 1,-0.1 2,-0.1 -0.382 99.9 -90.2 -79.6 162.1 -39.3 34.7 14.7 119 119 A K >> - 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0 0 7 1,-0.1 3,-0.4 46,-0.1 4,-0.3 -0.625 25.2-162.8 -67.4 118.7 -28.3 18.3 23.8 287 287 A P > + 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.479 62.7 101.4 -92.0 4.8 -25.4 16.9 21.7 288 288 A T H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.920 78.8 54.0 -47.2 -54.1 -26.6 18.5 18.4 289 289 A A H > S+ 0 0 0 -34,-2.3 4,-1.5 -3,-0.4 -1,-0.2 0.943 112.8 43.8 -48.6 -51.3 -24.1 21.4 18.7 290 290 A A H >> S+ 0 0 3 -4,-0.3 4,-2.0 2,-0.2 3,-0.7 0.943 114.5 47.8 -62.8 -50.3 -21.2 18.9 19.1 291 291 A I H 3X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.921 110.7 51.7 -56.6 -46.5 -22.3 16.6 16.4 292 292 A L H 3X S+ 0 0 9 -4,-3.3 4,-2.9 -5,-0.3 -1,-0.3 0.790 105.8 56.7 -61.3 -27.4 -22.9 19.5 14.0 293 293 A S H S+ 0 0 7 -4,-2.9 4,-3.3 1,-0.2 5,-0.5 0.906 110.8 54.1 -57.8 -39.3 -18.5 21.1 10.2 297 297 A M H X>S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.2 5,-1.3 0.968 105.8 49.7 -57.3 -55.5 -15.2 19.4 10.6 298 298 A L H X5S+ 0 0 0 -4,-3.1 6,-2.9 1,-0.2 4,-0.5 0.909 119.8 41.7 -48.3 -42.4 -15.9 16.8 7.9 299 299 A E H X5S+ 0 0 5 -4,-2.2 4,-0.8 4,-0.2 -2,-0.2 0.959 124.2 25.5 -73.0 -59.6 -16.8 19.7 5.7 300 300 A H H <5S+ 0 0 30 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.1 0.908 130.2 37.2 -84.9 -39.5 -14.4 22.6 6.2 301 301 A A H < + 0 0 56 -6,-2.9 4,-1.8 -7,-0.2 -1,-0.2 -0.494 14.9 158.2 -93.7 67.0 -16.1 15.9 2.8 305 305 A V H > + 0 0 36 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.841 66.2 52.3 -64.2 -41.7 -19.3 17.9 2.1 306 306 A E H > S+ 0 0 170 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.920 109.7 49.0 -63.7 -44.3 -21.6 15.0 1.3 307 307 A L H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 109.7 54.0 -59.5 -37.8 -20.8 13.2 4.6 308 308 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.916 108.4 48.1 -61.2 -44.3 -21.4 16.5 6.4 309 309 A R H X S+ 0 0 77 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.726 107.9 56.8 -69.1 -22.5 -24.9 16.9 4.8 310 310 A K H X S+ 0 0 70 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.922 108.6 44.7 -74.0 -47.3 -25.6 13.3 5.8 311 311 A V H X S+ 0 0 1 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.970 114.6 50.1 -58.3 -53.3 -24.9 14.0 9.5 312 312 A E H X S+ 0 0 36 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 111.2 48.2 -51.4 -47.9 -27.0 17.2 9.3 313 313 A D H X S+ 0 0 83 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.895 113.0 48.0 -65.0 -38.2 -29.9 15.4 7.7 314 314 A A H >X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 3,-0.7 0.980 112.0 49.3 -63.5 -53.6 -29.7 12.7 10.3 315 315 A V H 3X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.839 109.4 53.2 -49.9 -38.2 -29.5 15.2 13.1 316 316 A A H 3X S+ 0 0 14 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.831 111.4 45.6 -71.8 -32.4 -32.5 17.1 11.6 317 317 A K H > - 0 0 1 0, 0.0 5,-2.7 0, 0.0 3,-1.2 -0.178 32.3 -96.1 -69.1 169.8 -34.0 16.7 23.4 325 325 A P G > 5S+ 0 0 51 0, 0.0 3,-1.8 0, 0.0 -40,-0.1 0.829 122.9 59.0 -61.3 -33.9 -35.3 18.4 26.6 326 326 A D G 3 5S+ 0 0 65 1,-0.3 -72,-0.1 -42,-0.3 4,-0.0 0.689 104.9 51.4 -73.2 -14.8 -34.1 21.9 25.4 327 327 A L G < 5S- 0 0 4 -3,-1.2 -1,-0.3 -72,-0.1 3,-0.1 0.279 132.1 -95.4 -93.8 8.9 -36.3 21.5 22.4 328 328 A G T < 5S+ 0 0 74 -3,-1.8 -2,-0.1 1,-0.2 2,-0.1 0.570 94.2 99.5 86.5 11.4 -39.2 20.6 24.7 329 329 A G S - 0 0 18 -2,-0.4 4,-2.8 -8,-0.1 5,-0.3 -0.249 38.2 -85.2 -75.2 171.2 -31.2 12.5 26.9 333 333 A T H > S+ 0 0 11 -50,-1.0 4,-2.3 1,-0.2 5,-0.2 0.890 126.7 41.8 -48.1 -58.1 -27.7 12.6 25.3 334 334 A E H > S+ 0 0 153 -51,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.957 116.3 49.5 -55.6 -51.9 -27.3 8.8 24.7 335 335 A A H > S+ 0 0 54 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.872 112.0 46.8 -58.7 -42.7 -30.9 8.3 23.4 336 336 A F H >X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 3,-0.6 0.954 111.6 51.9 -62.8 -50.6 -30.8 11.3 21.0 337 337 A T H 3X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.858 105.3 55.7 -50.0 -40.1 -27.4 10.2 19.7 338 338 A A H 3X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.869 107.2 50.6 -66.4 -31.3 -28.9 6.7 19.1 339 339 A T H