==== 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-NOV-95 1XAD . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE 2T2M6T S82R; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR C.NAGATA,H.MORIYAMA,N.TANAKA . 345 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 6.7 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 . 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 . 1 0.3 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 . 15 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 2 0 0 1 0 1 2 2 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 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 0 1 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 31 0, 0.0 34,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 101.4 24.7 30.0 116.2 2 2 A K E -a 35 0A 101 32,-0.2 63,-2.9 61,-0.0 64,-1.0 -0.827 360.0-179.9-100.0 111.2 23.2 33.5 116.4 3 3 A V E -ab 36 66A 2 32,-2.4 34,-1.3 -2,-0.7 2,-0.5 -0.903 20.1-152.7-112.0 113.7 20.4 34.1 113.9 4 4 A A E -ab 37 67A 2 62,-2.7 64,-2.0 -2,-0.5 2,-0.6 -0.790 24.0-151.6 -78.1 124.8 18.5 37.6 113.5 5 5 A V E +ab 38 68A 2 32,-2.8 34,-2.6 -2,-0.5 64,-0.2 -0.868 21.8 178.0-103.1 124.0 15.1 36.5 112.2 6 6 A L E - b 0 69A 0 62,-2.3 64,-1.9 -2,-0.6 32,-0.1 -0.781 2.7-177.9-117.1 82.2 13.2 39.0 110.1 7 7 A P E - 0 0 25 0, 0.0 64,-1.1 0, 0.0 9,-0.1 0.702 21.1-167.2 -69.2 -13.8 9.9 37.1 109.1 8 8 A G E - b 0 71A 8 62,-0.2 64,-0.3 4,-0.2 2,-0.2 -0.362 29.1 -36.2 69.9-150.8 8.5 40.0 106.9 9 9 A D S > S+ 0 0 12 62,-2.3 3,-2.5 3,-0.1 2,-0.3 -0.504 98.9 5.1-107.4 170.5 4.9 40.3 105.5 10 10 A G T 3 S- 0 0 27 1,-0.3 4,-0.3 -2,-0.2 266,-0.2 -0.415 135.3 -2.4 66.8-118.4 2.2 38.0 104.2 11 11 A I T 3> S+ 0 0 6 264,-2.6 4,-2.3 -2,-0.3 5,-0.4 0.477 107.5 99.4 -85.2 -11.3 3.3 34.4 104.5 12 12 A G H <> S+ 0 0 0 -3,-2.5 4,-2.7 59,-0.4 5,-0.4 0.906 81.1 51.1 -43.7 -52.4 6.7 35.4 105.9 13 13 A P H > S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.949 114.5 44.0 -50.3 -51.0 5.6 34.7 109.6 14 14 A E H > S+ 0 0 45 -4,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.940 120.0 35.9 -63.6 -56.2 4.2 31.2 108.8 15 15 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.800 115.3 55.6 -78.2 -20.9 6.9 29.8 106.5 16 16 A T H X S+ 0 0 4 -4,-2.7 4,-1.9 -5,-0.4 -1,-0.2 0.890 107.6 51.8 -74.4 -35.0 9.8 31.5 108.5 17 17 A E H X S+ 0 0 65 -4,-2.2 4,-2.7 -5,-0.4 -2,-0.2 0.862 104.2 54.8 -67.1 -31.2 8.5 29.8 111.6 18 18 A A H X S+ 0 0 4 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.849 106.6 53.7 -72.9 -26.8 8.5 26.3 109.9 19 19 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 3,-0.4 0.990 108.5 47.1 -63.2 -55.8 12.1 26.9 109.1 20 20 A L H X S+ 0 0 5 -4,-1.9 4,-3.0 1,-0.3 5,-0.3 0.922 106.7 60.1 -52.9 -47.7 12.9 27.6 112.8 21 21 A K H X S+ 0 0 60 -4,-2.7 4,-1.7 2,-0.2 -1,-0.3 0.903 108.7 43.0 -51.6 -45.3 10.8 24.5 113.7 22 22 A V H >X S+ 0 0 1 -4,-2.0 4,-1.9 -3,-0.4 3,-0.6 0.991 116.2 49.2 -64.4 -44.8 13.3 22.4 111.7 23 23 A L H 3X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.3 -2,-0.2 0.798 106.6 53.3 -67.2 -33.5 16.3 24.3 113.2 24 24 A R H 3X S+ 0 0 79 -4,-3.0 4,-2.8 2,-0.2 -1,-0.3 0.910 108.6 53.2 -70.3 -31.6 15.2 24.0 116.8 25 25 A A H S+ 0 0 22 -4,-2.6 4,-1.3 2,-0.2 5,-0.8 0.785 111.7 43.7 -50.7 -48.5 19.6 22.3 117.6 28 28 A E H ><5S+ 0 0 148 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.980 117.9 45.1 -58.2 -76.0 18.0 20.1 120.3 29 29 A A H 3<5S+ 0 0 75 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.581 129.2 22.9 -36.0 -38.0 19.4 16.9 118.7 30 30 A E H 3<5S- 0 0 101 -4,-2.7 -1,-0.3 -5,-0.2 -3,-0.2 0.372 98.0-124.6-116.1 -7.4 23.1 18.2 118.0 31 31 A G T <<5 + 0 0 59 -3,-1.6 -3,-0.2 -4,-1.3 -4,-0.1 0.977 45.8 164.6 62.5 61.8 23.3 20.9 120.5 32 32 A L < - 0 0 35 -5,-0.8 -1,-0.1 -6,-0.0 -4,-0.1 0.531 48.5-119.4 -88.8 -7.7 24.3 23.7 118.0 33 33 A G - 0 0 48 -6,-0.4 2,-0.5 1,-0.2 -5,-0.1 0.966 36.1-169.4 72.4 52.1 23.5 26.6 120.4 34 34 A L + 0 0 27 -11,-0.1 2,-0.5 -10,-0.1 -32,-0.2 -0.646 10.6 175.3 -79.0 123.6 20.8 28.3 118.3 35 35 A A E +a 2 0A 58 -34,-2.8 -32,-2.4 -2,-0.5 2,-0.3 -0.996 10.6 171.1-119.4 123.4 20.1 31.7 119.8 36 36 A Y E -a 3 0A 86 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.955 17.7-168.6-127.5 161.1 17.6 33.6 117.6 37 37 A E E -a 4 0A 121 -34,-1.3 -32,-2.8 -2,-0.3 2,-0.4 -0.989 22.1-129.0-141.7 132.2 15.7 36.9 118.0 38 38 A V E -a 5 0A 83 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.0 -0.725 28.6-173.8 -89.2 133.3 12.7 38.1 115.8 39 39 A F - 0 0 28 -34,-2.6 2,-0.4 -2,-0.4 -2,-0.0 -0.777 28.9-100.3-118.4 158.9 13.1 41.7 114.5 40 40 A P + 0 0 36 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.717 46.6 162.2 -85.0 135.9 10.7 43.9 112.5 41 41 A F > - 0 0 3 -2,-0.4 3,-0.5 12,-0.1 12,-0.2 -0.993 39.8 -8.1-152.7 131.0 11.2 44.3 108.7 42 42 A G T >> S- 0 0 0 10,-2.7 4,-2.2 -2,-0.4 3,-1.0 -0.416 113.7 -2.5 100.0-149.8 9.0 45.4 105.9 43 43 A G H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.817 132.2 55.4 -54.5 -29.5 5.3 46.3 105.5 44 44 A A H <> S+ 0 0 45 -3,-0.5 4,-2.7 2,-0.2 -1,-0.3 0.832 109.5 44.1 -72.3 -35.7 4.9 45.4 109.1 45 45 A A H <>>S+ 0 0 0 -3,-1.0 6,-1.3 2,-0.2 5,-0.8 0.675 107.1 59.1 -84.0 -21.8 7.6 47.8 110.2 46 46 A I H X5S+ 0 0 14 -4,-2.2 4,-2.0 4,-0.3 -2,-0.2 0.985 114.8 39.0 -65.9 -51.8 6.3 50.5 107.9 47 47 A D H <5S+ 0 0 78 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.927 127.3 34.3 -60.2 -50.2 3.1 50.2 109.9 48 48 A A H <5S+ 0 0 66 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.1 0.995 136.3 15.8 -70.4 -69.0 4.8 49.7 113.2 49 49 A F H <5S- 0 0 114 -4,-0.6 -3,-0.2 2,-0.2 -2,-0.2 0.505 98.6-112.4 -93.9 -0.0 7.9 51.9 113.0 50 50 A G S <> - 0 0 5 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.462 35.6-103.7 -75.5 154.3 14.2 50.4 111.6 55 55 A E H 3> S+ 0 0 127 2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.728 118.4 62.6 -58.5 -27.6 17.4 50.8 113.5 56 56 A P H 3> S+ 0 0 70 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.956 112.7 40.0 -49.9 -45.9 16.6 48.0 116.1 57 57 A T H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 5,-0.4 0.926 109.1 58.5 -72.1 -44.9 16.7 45.8 113.0 58 58 A R H X S+ 0 0 73 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.961 113.5 41.9 -45.3 -51.4 19.7 47.6 111.5 59 59 A K H X S+ 0 0 128 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.947 111.4 56.2 -61.4 -46.5 21.5 46.7 114.7 60 60 A G H >X S+ 0 0 6 -4,-2.6 4,-1.4 1,-0.3 3,-0.6 0.895 111.0 39.7 -57.7 -48.6 20.1 43.2 114.8 61 61 A V H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.854 112.5 60.1 -72.9 -29.5 21.3 42.0 111.4 62 62 A E H 3< S+ 0 0 99 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.788 114.3 33.9 -61.8 -30.1 24.6 43.9 112.0 63 63 A E H << S+ 0 0 118 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.525 98.9 88.8-108.3 -15.4 25.3 41.8 115.1 64 64 A A S < S- 0 0 11 -4,-1.4 -61,-0.2 -5,-0.2 3,-0.1 -0.299 74.1-128.8 -74.8 171.8 23.9 38.3 114.3 65 65 A E S S+ 0 0 103 -63,-2.9 2,-0.3 1,-0.3 -62,-0.2 0.550 91.7 8.8 -97.0 -7.6 25.8 35.6 112.5 66 66 A A E -b 3 0A 0 -64,-1.0 -62,-2.7 200,-0.1 2,-0.4 -0.952 66.3-137.8-160.0 150.7 23.1 35.0 110.0 67 67 A V E -bc 4 268A 0 200,-1.7 202,-1.2 -2,-0.3 2,-0.6 -0.955 11.1-157.0-106.5 136.7 19.7 36.7 109.0 68 68 A L E -bc 5 269A 2 -64,-2.0 -62,-2.3 -2,-0.4 2,-0.3 -0.969 24.4-167.9-109.9 112.1 16.7 34.3 108.3 69 69 A L E -b 6 0A 4 200,-2.5 2,-0.1 -2,-0.6 224,-0.1 -0.722 13.6-170.4-108.8 144.0 14.6 36.6 106.1 70 70 A G E - 0 0 1 -64,-1.9 2,-0.5 -2,-0.3 -62,-0.2 0.069 40.2 -65.7-101.2-135.0 11.1 36.0 105.1 71 71 A S E -b 8 0A 5 -64,-1.1 -62,-2.3 -62,-0.3 -59,-0.4 -0.967 40.4-167.2-131.0 135.5 9.2 37.9 102.6 72 72 A V + 0 0 17 -2,-0.5 203,-0.7 -64,-0.3 -30,-0.1 -0.635 33.2 89.7-107.2 170.8 8.0 41.4 102.4 73 73 A G + 0 0 6 -2,-0.2 3,-0.1 201,-0.1 202,-0.0 0.018 27.6 175.7 120.1 136.0 5.7 43.4 100.2 74 74 A G >> - 0 0 10 1,-0.2 3,-1.4 202,-0.1 4,-0.9 -0.966 40.9-117.0-164.7 150.9 2.1 44.2 100.1 75 75 A P H >> S+ 0 0 99 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.928 103.2 77.1 -61.2 -34.5 -0.1 46.4 97.9 76 76 A K H 34 S+ 0 0 129 1,-0.3 4,-0.3 2,-0.1 9,-0.0 0.575 98.5 39.9 -44.8 -33.1 -0.9 48.6 100.9 77 77 A W H X4 S+ 0 0 25 -3,-1.4 3,-1.9 2,-0.1 -1,-0.3 0.852 90.2 84.6 -95.3 -30.7 2.3 50.4 100.8 78 78 A D H << S+ 0 0 82 -3,-1.0 -2,-0.1 -4,-0.9 -1,-0.1 0.774 88.5 56.1 -41.2 -47.5 3.0 50.9 97.1 79 79 A Q T 3< S+ 0 0 166 -4,-0.6 -1,-0.3 3,-0.0 -2,-0.1 0.861 93.5 78.2 -57.5 -45.8 0.9 54.0 96.9 80 80 A N S < S- 0 0 38 -3,-1.9 4,-0.1 -4,-0.3 -3,-0.0 -0.274 101.5 -75.9 -72.3 170.2 3.0 55.8 99.8 81 81 A P - 0 0 68 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.844 49.7 -87.4 -66.2 -97.7 6.3 57.1 98.5 82 82 A R S > S+ 0 0 195 3,-0.0 2,-1.3 5,-0.0 3,-0.9 0.347 115.7 44.4-141.3 -72.0 9.5 55.4 97.6 83 83 A E T 3 S+ 0 0 109 1,-0.3 -3,-0.0 5,-0.1 0, 0.0 0.228 110.2 61.2 -73.6 26.8 11.7 55.0 100.7 84 84 A L T 3 S+ 0 0 45 -2,-1.3 -1,-0.3 -33,-0.1 -4,-0.1 -0.176 84.0 96.9-135.1 34.4 8.6 54.0 102.7 85 85 A R S X> S- 0 0 81 -3,-0.9 3,-1.2 1,-0.1 4,-0.7 -0.940 82.7-110.6-131.7 153.0 7.8 50.9 100.7 86 86 A P H >> S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.896 111.2 56.3 -58.1 -40.6 8.8 47.2 101.6 87 87 A E H >> S+ 0 0 50 1,-0.3 3,-1.4 2,-0.2 4,-0.7 0.835 92.0 68.3 -66.9 -29.1 11.2 46.6 99.0 88 88 A K H X> S+ 0 0 89 -3,-1.2 4,-2.3 -6,-0.3 3,-1.7 0.929 96.4 57.6 -53.7 -42.1 13.5 49.7 99.8 89 89 A G H S+ 0 0 78 -4,-0.6 5,-1.7 -5,-0.3 4,-0.2 0.958 112.3 44.2 -66.4 -40.8 22.0 44.5 101.2 95 95 A K H ><5S+ 0 0 156 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.961 113.4 50.7 -67.0 -47.7 24.0 47.8 101.4 96 96 A Q H 3<5S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.884 112.6 42.3 -60.5 -48.5 24.6 47.6 105.1 97 97 A L T 3<5S- 0 0 1 -4,-2.0 168,-2.5 -5,-0.2 -1,-0.3 0.337 107.2-125.4 -84.6 13.4 25.9 44.1 105.3 98 98 A D T < 5 + 0 0 56 -3,-1.7 166,-2.3 -4,-0.2 2,-0.4 0.914 41.7 178.0 41.2 59.4 28.0 44.6 102.2 99 99 A L E < +D 263 0A 4 -5,-1.7 164,-0.3 164,-0.2 -1,-0.2 -0.794 15.0 163.8 -93.5 131.3 26.7 41.7 100.3 100 100 A F E + 0 0 24 162,-2.3 34,-1.8 -2,-0.4 35,-0.4 0.180 53.9 54.8-137.6 15.0 28.0 41.1 96.8 101 101 A A E -DE 262 133A 0 161,-1.0 161,-1.8 32,-0.3 2,-0.5 -0.988 60.4-154.0-149.6 142.5 27.3 37.6 95.5 102 102 A N E -DE 261 132A 13 30,-2.1 30,-2.3 -2,-0.3 2,-0.4 -0.998 9.2-153.3-126.0 122.2 23.8 36.0 95.3 103 103 A L E +DE 260 131A 0 157,-2.8 157,-1.3 -2,-0.5 28,-0.2 -0.838 14.7 179.2 -98.2 130.6 23.7 32.2 95.5 104 104 A R E - E 0 130A 39 26,-1.7 26,-2.6 -2,-0.4 2,-0.4 -0.973 10.3-160.5-133.4 107.2 20.7 30.5 93.8 105 105 A P E - E 0 129A 24 0, 0.0 2,-0.5 0, 0.0 24,-0.2 -0.859 3.7-164.0 -88.4 139.1 20.5 26.7 93.8 106 106 A V E + E 0 128A 5 22,-2.3 22,-2.3 -2,-0.4 2,-0.3 -0.977 15.5 165.2-124.4 131.7 18.4 24.7 91.5 107 107 A K E - E 0 127A 60 -2,-0.5 2,-0.6 20,-0.2 20,-0.2 -0.960 26.2-146.8-136.8 143.0 17.7 21.1 92.3 108 108 A V - 0 0 6 18,-1.4 2,-0.7 -2,-0.3 17,-0.3 -0.989 19.5-141.0-120.6 116.5 15.0 18.9 90.7 109 109 A F > - 0 0 10 -2,-0.6 3,-2.8 1,-0.1 4,-0.3 -0.742 15.5-127.7 -77.6 112.8 13.7 16.5 93.2 110 110 A E G > S+ 0 0 110 -2,-0.7 3,-2.2 1,-0.3 4,-0.3 0.741 106.4 59.0 -31.3 -44.2 13.2 13.1 91.5 111 111 A S G 3 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.802 107.4 43.6 -67.4 -32.0 9.6 13.0 92.8 112 112 A L G X S+ 0 0 21 -3,-2.8 3,-1.9 1,-0.2 4,-0.4 0.189 79.7 115.6 -96.9 24.1 8.5 16.3 91.1 113 113 A S G X S+ 0 0 4 -3,-2.2 3,-2.6 1,-0.3 -1,-0.2 0.972 70.3 58.6 -50.6 -53.9 10.3 15.3 87.8 114 114 A D G 3 S+ 0 0 167 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.488 98.3 63.7 -58.0 0.0 6.9 15.1 85.9 115 115 A A G < S+ 0 0 49 -3,-1.9 -1,-0.3 136,-0.2 -2,-0.2 0.581 83.3 92.1 -96.1 -18.4 6.3 18.8 86.9 116 116 A S S < S- 0 0 15 -3,-2.6 134,-0.1 -4,-0.4 136,-0.1 -0.420 79.8-127.1 -64.8 155.9 9.2 20.2 85.0 117 117 A P S S+ 0 0 93 0, 0.0 2,-0.2 0, 0.0 133,-0.1 0.640 87.1 77.2 -79.1 -21.8 9.0 21.4 81.4 118 118 A L S S- 0 0 33 132,-0.3 -2,-0.2 -5,-0.1 5,-0.1 -0.562 95.7 -93.0 -87.4 159.1 11.8 19.2 80.2 119 119 A K >> - 0 0 147 -2,-0.2 3,-2.1 1,-0.1 4,-0.9 -0.464 43.5-106.7 -65.5 148.7 11.7 15.6 79.6 120 120 A K H >> S+ 0 0 109 1,-0.3 4,-1.9 2,-0.2 3,-1.6 0.874 115.8 61.7 -39.7 -62.7 12.7 13.5 82.6 121 121 A E H 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.730 103.5 51.2 -46.6 -24.4 16.1 12.5 81.1 122 122 A Y H <4 S+ 0 0 88 -3,-2.1 106,-0.6 1,-0.2 -1,-0.3 0.818 114.3 40.5 -84.7 -25.9 17.2 16.1 81.0 123 123 A I H X< S+ 0 0 0 -3,-1.6 3,-2.2 -4,-0.9 -15,-0.2 0.690 81.3 118.9 -92.0 -25.5 16.4 17.0 84.6 124 124 A D T 3< S+ 0 0 61 -4,-1.9 104,-0.2 1,-0.3 -15,-0.1 -0.203 88.8 4.3 -41.8 126.7 17.5 13.8 86.3 125 125 A N T 3 S+ 0 0 133 -17,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.530 81.9 161.4 70.8 14.5 20.3 14.8 88.8 126 126 A V < + 0 0 0 -3,-2.2 -18,-1.4 -18,-0.2 -1,-0.2 -0.463 8.3 146.0 -62.9 128.5 20.2 18.6 88.3 127 127 A D E +E 107 0A 44 103,-0.3 2,-0.3 100,-0.3 -20,-0.2 -0.615 17.8 137.4-161.9 100.1 21.9 20.0 91.4 128 128 A F E -E 106 0A 0 -22,-2.3 -22,-2.3 -2,-0.2 2,-0.4 -0.967 39.6-142.2-147.5 163.1 23.8 23.2 90.6 129 129 A V E -Ef 105 232A 9 102,-2.6 104,-2.4 -2,-0.3 2,-0.5 -0.969 9.5-157.0-129.2 115.1 24.4 26.6 92.3 130 130 A I E -Ef 104 233A 1 -26,-2.6 -26,-1.7 -2,-0.4 2,-0.7 -0.795 8.0-163.0 -90.5 128.3 24.6 29.9 90.2 131 131 A V E -Ef 103 234A 0 102,-2.9 104,-2.1 -2,-0.5 2,-0.4 -0.954 8.4-165.3-115.4 116.2 26.5 32.6 92.1 132 132 A R E -Ef 102 235A 40 -30,-2.3 -30,-2.1 -2,-0.7 104,-0.2 -0.885 24.9-117.4-104.5 129.5 25.8 35.9 90.5 133 133 A E E -E 101 0A 0 102,-2.1 -32,-0.3 -2,-0.4 107,-0.2 -0.418 32.9-163.1 -59.6 144.7 27.9 39.0 91.3 134 134 A L + 0 0 11 -34,-1.8 -33,-0.2 1,-0.1 -1,-0.1 0.690 66.3 37.0-112.9 -21.3 25.5 41.5 92.9 135 135 A T S S+ 0 0 52 -35,-0.4 2,-0.2 26,-0.1 -1,-0.1 0.539 99.4 63.2-118.9 0.9 26.7 44.9 92.9 136 136 A G + 0 0 4 -36,-0.1 3,-0.5 25,-0.1 21,-0.1 -0.455 64.2 40.9-119.9-173.6 28.7 45.7 89.8 137 137 A G S >> S- 0 0 3 19,-0.9 4,-3.1 1,-0.2 3,-2.7 -0.136 100.7 -10.3 74.2-161.1 28.6 46.0 86.1 138 138 A I T 34 S+ 0 0 48 1,-0.3 -1,-0.2 2,-0.2 16,-0.2 0.606 125.7 57.7 -51.6 -28.8 26.0 47.5 83.6 139 139 A Y T 34 S+ 0 0 83 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.781 128.7 16.3 -71.2 -25.8 23.2 48.1 86.0 140 140 A F T <4 S+ 0 0 117 -3,-2.7 -2,-0.2 14,-0.1 -1,-0.1 0.663 103.7 108.6-116.3 -26.2 25.4 50.2 88.2 141 141 A G < - 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