==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-FEB-07 2JGD . COMPND 2 MOLECULE: 2-OXOGLUTARATE DEHYDROGENASE E1 COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.A.W.FRANK,A.J.PRICE,F.D.NORTHROP,R.N.PERHAM,B.F.LUISI . 1618 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1115 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 149 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 2 0.1 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 0.1 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 . 112 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 193 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 512 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 1 3 7 3 5 2 3 6 1 7 5 1 2 3 3 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 3 13 2 2 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 . 2 8 2 2 0 0 2 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 . 4 0 0 2 0 2 0 2 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 84 A D > 0 0 99 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-126.3 -12.0 -23.8 27.7 2 85 A T H > + 0 0 85 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.748 360.0 60.4 -90.8 -31.7 -10.0 -25.0 30.7 3 86 A N H > S+ 0 0 128 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.953 109.9 46.8 -41.8 -56.6 -7.7 -27.6 29.2 4 87 A V H > S+ 0 0 25 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.847 109.8 52.9 -65.9 -34.5 -6.4 -24.8 27.0 5 88 A K H X S+ 0 0 59 -4,-1.2 4,-2.0 2,-0.2 3,-0.3 0.888 102.6 57.1 -70.1 -38.5 -6.0 -22.4 29.9 6 89 A Q H X S+ 0 0 48 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.898 106.8 50.3 -57.9 -40.0 -3.9 -24.9 32.0 7 90 A V H X S+ 0 0 18 -4,-1.5 4,-1.5 1,-0.2 -1,-0.3 0.805 107.8 54.8 -66.6 -29.7 -1.5 -25.1 29.1 8 91 A K H X S+ 0 0 30 -4,-1.0 4,-1.5 -3,-0.3 -2,-0.2 0.855 103.1 54.3 -76.1 -33.1 -1.4 -21.3 29.0 9 92 A V H X S+ 0 0 3 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.932 105.7 52.5 -66.9 -43.8 -0.4 -21.1 32.7 10 93 A L H X S+ 0 0 66 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.910 108.8 50.8 -51.6 -45.6 2.5 -23.4 32.1 11 94 A Q H X S+ 0 0 52 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.837 111.3 49.8 -62.1 -31.1 3.6 -21.1 29.3 12 95 A L H X S+ 0 0 5 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.918 108.8 48.9 -77.7 -45.9 3.2 -18.2 31.8 13 96 A I H X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.2 3,-0.3 0.968 111.3 53.0 -50.0 -54.0 5.3 -19.9 34.6 14 97 A N H X S+ 0 0 71 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.863 105.0 54.4 -48.9 -41.6 7.9 -20.5 31.9 15 98 A A H X>S+ 0 0 3 -4,-1.4 4,-2.9 1,-0.2 5,-0.6 0.889 106.8 50.1 -70.4 -38.5 8.0 -16.9 30.8 16 99 A Y H X5S+ 0 0 14 -4,-1.8 4,-1.7 -3,-0.3 5,-0.3 0.921 109.5 52.3 -59.1 -45.5 8.7 -15.6 34.4 17 100 A R H <5S+ 0 0 15 -4,-2.1 68,-0.3 1,-0.2 4,-0.2 0.965 118.1 36.4 -56.0 -52.9 11.5 -18.1 34.7 18 101 A F H <5S+ 0 0 68 -4,-2.5 68,-0.2 -5,-0.2 -2,-0.2 0.905 139.2 8.0 -65.2 -46.1 13.2 -17.0 31.5 19 102 A R H ><5S+ 0 0 97 -4,-2.9 3,-2.0 -5,-0.2 4,-0.4 0.461 87.9 105.7-133.5 -6.5 12.5 -13.3 31.5 20 103 A G G >< S+ 0 0 17 -5,-0.3 3,-2.0 62,-0.3 -1,-0.3 0.878 86.5 63.9 -67.5 -31.5 14.5 -10.8 35.5 22 105 A Q G < S+ 0 0 104 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.619 106.6 43.2 -72.5 -9.9 14.0 -8.1 33.0 23 106 A H G < S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.4 2,-0.2 0.011 90.0 127.8-115.0 24.2 11.2 -6.6 35.0 24 107 A A S < S- 0 0 5 -3,-2.0 2,-2.5 1,-0.1 3,-0.4 -0.579 72.1-116.4 -86.4 146.6 12.9 -7.0 38.4 25 108 A N + 0 0 99 53,-1.0 295,-0.2 54,-0.7 -1,-0.1 -0.486 67.8 136.6 -72.6 68.0 13.4 -4.2 40.9 26 109 A L + 0 0 29 -2,-2.5 -1,-0.2 -5,-0.2 295,-0.2 0.925 41.1 78.9 -85.9 -51.4 17.2 -4.4 40.4 27 110 A D - 0 0 31 -3,-0.4 3,-0.4 1,-0.2 324,-0.1 -0.451 64.6-153.1 -64.8 120.3 18.3 -0.7 40.1 28 111 A P S S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 323,-0.1 0.672 98.9 50.4 -66.6 -19.1 18.5 1.0 43.6 29 112 A L S S- 0 0 34 322,-0.1 -2,-0.1 338,-0.0 322,-0.0 0.692 99.5-137.5 -87.7 -25.5 17.8 4.3 41.8 30 113 A G S S+ 0 0 54 -3,-0.4 -5,-0.0 1,-0.1 -4,-0.0 0.802 74.2 112.4 68.2 28.9 14.7 3.0 39.8 31 114 A L + 0 0 91 2,-0.1 2,-0.1 329,-0.0 -1,-0.1 0.369 39.0 118.2-107.8 -2.0 15.9 4.8 36.7 32 115 A W - 0 0 58 1,-0.1 2,-0.8 -5,-0.1 -6,-0.0 -0.437 65.8-131.9 -61.9 140.7 16.6 1.6 34.9 33 116 A Q - 0 0 100 -2,-0.1 2,-0.6 0, 0.0 -1,-0.1 -0.841 16.8-153.7-105.3 98.3 14.4 1.4 31.8 34 117 A Q 0 0 104 -2,-0.8 -11,-0.1 1,-0.2 -12,-0.0 -0.598 360.0 360.0 -79.2 115.2 12.7 -2.0 31.6 35 118 A D 0 0 129 -2,-0.6 -1,-0.2 -13,-0.1 -12,-0.0 0.925 360.0 360.0 -94.2 360.0 11.8 -2.9 28.0 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 122 A D 0 0 91 0, 0.0 6,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -84.7 5.6 -8.8 27.2 38 123 A L + 0 0 17 1,-0.2 -23,-0.2 -23,-0.1 -22,-0.1 0.497 360.0 77.8 -57.7 -2.3 5.3 -12.6 27.6 39 124 A D S S+ 0 0 12 -24,-0.1 2,-0.5 -20,-0.1 -1,-0.2 0.553 70.7 76.0-101.3 -16.7 4.8 -11.5 31.2 40 125 A P S >> S- 0 0 58 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.874 82.0-125.4 -96.2 132.3 1.1 -10.2 31.5 41 126 A S G >4 S+ 0 0 5 -2,-0.5 3,-2.6 1,-0.2 6,-0.1 0.855 103.4 67.8 -33.4 -48.6 -1.5 -12.9 31.5 42 127 A F G >4 S+ 0 0 132 1,-0.3 3,-1.7 2,-0.3 -1,-0.2 0.778 92.0 57.0 -58.1 -32.3 -3.3 -11.4 28.6 43 128 A H G <4 S+ 0 0 117 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.782 113.0 43.9 -66.7 -24.2 -0.6 -12.1 26.1 44 129 A D G << S- 0 0 13 -3,-2.6 -1,-0.3 -4,-0.7 -2,-0.3 0.068 126.2-110.2-107.4 17.3 -1.1 -15.7 27.2 45 130 A L < + 0 0 109 -3,-1.7 2,-0.2 -5,-0.2 -3,-0.2 0.960 69.2 115.4 63.1 76.3 -4.9 -15.2 27.1 46 131 A T 0 0 12 -38,-0.1 -1,-0.2 1,-0.0 4,-0.0 -0.848 360.0 360.0-150.1-166.5 -6.5 -15.1 30.5 47 132 A E 0 0 82 -2,-0.2 3,-0.4 -6,-0.1 -1,-0.0 0.274 360.0 360.0-169.5 360.0 -8.4 -12.8 32.9 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 134 A D > 0 0 51 0, 0.0 3,-1.6 0, 0.0 17,-0.4 0.000 360.0 360.0 360.0 -22.6 -9.7 -16.1 35.8 50 135 A F T 3 + 0 0 73 -3,-0.4 17,-1.7 1,-0.3 18,-0.4 0.485 360.0 48.9 -74.2 -7.0 -7.6 -15.6 38.9 51 136 A Q T 3 S+ 0 0 154 14,-0.2 -1,-0.3 15,-0.2 2,-0.1 0.506 80.3 112.1-103.4 -9.5 -9.6 -17.9 41.1 52 137 A E S < S- 0 0 50 -3,-1.6 14,-1.7 13,-0.1 2,-0.4 -0.442 72.5-128.3 -54.8 128.7 -9.6 -20.7 38.6 53 138 A T E -A 65 0A 89 12,-0.2 2,-0.3 -2,-0.1 12,-0.3 -0.759 33.3-175.8 -90.2 134.1 -7.5 -23.3 40.3 54 139 A F E -A 64 0A 6 10,-1.9 10,-2.7 -2,-0.4 2,-0.3 -0.879 33.2-113.0-128.3 154.0 -4.6 -24.8 38.3 55 140 A N E -A 63 0A 93 -2,-0.3 8,-0.2 8,-0.2 -45,-0.1 -0.646 28.0-155.5 -69.0 140.6 -1.8 -27.3 38.3 56 141 A V > - 0 0 3 6,-1.3 3,-2.1 1,-0.3 7,-0.1 -0.065 17.7-142.4-120.9 32.7 1.6 -25.5 38.4 57 142 A G T 3 S- 0 0 42 1,-0.3 -1,-0.3 5,-0.1 -47,-0.0 -0.077 72.4 -13.8 49.1-131.0 4.0 -28.0 36.8 58 143 A S T 3 S+ 0 0 67 2,-0.1 2,-0.9 1,-0.0 -1,-0.3 0.183 90.6 135.9 -92.0 19.2 7.4 -28.0 38.3 59 144 A F < 0 0 13 -3,-2.1 -3,-0.1 1,-0.2 40,-0.0 -0.563 360.0 360.0 -81.9 103.8 6.9 -24.8 40.2 60 145 A A 0 0 58 -2,-0.9 -1,-0.2 35,-0.1 -2,-0.1 0.172 360.0 360.0 -49.5 360.0 8.4 -25.7 43.5 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 149 A E 0 0 113 0, 0.0 -6,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -58.0 1.0 -28.6 43.8 63 150 A T E +A 55 0A 90 -8,-0.2 2,-0.4 -7,-0.1 -8,-0.2 -0.981 360.0 176.5-122.0 138.0 -2.3 -26.7 43.0 64 151 A M E -A 54 0A 50 -10,-2.7 -10,-1.9 -2,-0.4 5,-0.1 -0.988 35.6-113.0-143.8 133.7 -2.8 -22.9 43.1 65 152 A K E > -A 53 0A 45 -2,-0.4 4,-1.6 -12,-0.3 -12,-0.2 -0.256 43.2-117.4 -46.8 147.0 -5.4 -20.4 42.4 66 153 A L H >> S+ 0 0 2 -14,-1.7 4,-2.4 -17,-0.4 3,-0.8 0.980 109.5 49.9 -63.4 -59.6 -4.1 -18.4 39.4 67 154 A G H 3> S+ 0 0 27 -17,-1.7 4,-1.5 1,-0.3 -1,-0.2 0.733 109.9 55.0 -55.8 -23.0 -3.8 -14.9 40.9 68 155 A E H 3> S+ 0 0 73 -18,-0.4 4,-2.8 -3,-0.2 -1,-0.3 0.896 106.7 49.7 -73.0 -42.0 -2.0 -16.5 43.8 69 156 A L H X S+ 0 0 54 -4,-1.5 4,-2.3 -5,-0.3 3,-1.1 0.997 112.0 45.5 -49.5 -66.4 1.7 -13.2 43.2 72 159 A A H 3X S+ 0 0 28 -4,-2.8 4,-2.5 1,-0.3 -2,-0.2 0.799 112.0 51.5 -54.2 -37.0 4.3 -15.9 43.9 73 160 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.3 0.863 109.6 49.7 -67.4 -37.1 5.9 -15.6 40.5 74 161 A K H - 0 0 40 1,-0.2 4,-1.9 2,-0.1 3,-0.5 -0.470 59.3-157.8 -64.9 112.9 21.5 -29.1 32.5 91 178 A T H > S+ 0 0 74 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.910 90.0 51.3 -53.1 -46.5 18.0 -30.0 33.6 92 179 A E H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.755 106.5 54.1 -73.2 -25.3 19.0 -30.9 37.1 93 180 A E H > S+ 0 0 16 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.963 110.8 44.4 -70.6 -55.3 20.8 -27.5 37.6 94 181 A K H X S+ 0 0 36 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.962 116.2 47.6 -46.4 -58.3 17.8 -25.5 36.6 95 182 A R H X S+ 0 0 117 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.898 109.7 54.2 -54.5 -43.8 15.6 -27.7 38.8 96 183 A W H X S+ 0 0 34 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.948 112.8 43.0 -50.8 -52.9 18.2 -27.3 41.6 97 184 A I H >X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 3,-1.5 0.973 111.5 52.6 -59.7 -58.0 17.9 -23.6 41.3 98 185 A Q H 3X S+ 0 0 13 -4,-3.4 4,-2.5 1,-0.3 3,-0.3 0.894 107.2 54.5 -42.4 -49.0 14.1 -23.6 41.0 99 186 A Q H 3< S+ 0 0 116 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.3 0.845 110.7 46.3 -53.5 -36.0 14.0 -25.6 44.2 100 187 A R H << S+ 0 0 110 -3,-1.5 -1,-0.2 -4,-1.2 -2,-0.2 0.796 125.1 26.0 -82.8 -30.2 16.1 -23.0 46.0 101 188 A I H < S+ 0 0 30 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.2 0.568 112.0 64.3-111.0 -15.1 14.3 -19.9 44.9 102 189 A E < 0 0 8 -4,-2.5 -3,-0.1 -5,-0.4 -2,-0.1 0.572 360.0 360.0 -97.5 -12.2 10.8 -21.1 44.2 103 190 A S 0 0 96 -4,-0.5 -1,-0.1 -5,-0.3 -43,-0.0 -0.532 360.0 360.0 -76.3 360.0 9.8 -22.2 47.7 104 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 105 192 A R 0 0 101 0, 0.0 2,-0.2 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 135.5 13.5 -17.9 51.8 106 193 A A - 0 0 94 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.502 360.0 -99.2 -68.8 157.5 13.5 -18.2 55.6 107 194 A T - 0 0 127 -2,-0.2 2,-0.1 1,-0.0 -1,-0.1 -0.639 28.3-125.8 -77.1 136.6 13.8 -15.0 57.6 108 195 A F - 0 0 21 -2,-0.3 2,-0.2 1,-0.1 -1,-0.0 -0.406 35.7-118.2 -64.3 160.8 17.2 -14.0 59.0 109 196 A N >> - 0 0 79 -2,-0.1 4,-2.5 1,-0.0 3,-0.9 -0.519 28.0 -87.5-107.0 172.6 17.0 -13.3 62.7 110 197 A S H 3> S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.826 126.0 47.2 -46.2 -37.6 17.6 -10.2 64.9 111 198 A E H 3> S+ 0 0 118 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.797 113.0 46.1 -82.4 -24.6 21.4 -11.0 65.2 112 199 A E H <> S+ 0 0 51 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.893 115.0 46.9 -80.5 -43.2 22.0 -11.7 61.5 113 200 A K H X S+ 0 0 17 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.964 111.3 50.9 -57.3 -56.3 20.1 -8.6 60.3 114 201 A K H X S+ 0 0 54 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.840 109.8 53.4 -49.9 -33.5 21.9 -6.4 62.9 115 202 A R H X S+ 0 0 84 -4,-0.7 4,-2.3 2,-0.3 -1,-0.2 0.950 104.4 51.1 -79.8 -47.8 25.1 -7.8 61.6 116 203 A F H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.904 111.1 51.8 -36.5 -52.5 24.4 -6.9 58.0 117 204 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.3 0.899 107.1 53.1 -62.5 -36.8 23.7 -3.5 59.4 118 205 A S H X S+ 0 0 60 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.866 109.4 46.6 -67.5 -39.5 27.0 -3.5 61.2 119 206 A E H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.857 111.1 51.4 -75.5 -31.7 29.0 -4.3 58.0 120 207 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.2 251,-0.3 0.890 108.5 54.4 -65.0 -35.1 27.1 -1.7 56.0 121 208 A T H X S+ 0 0 5 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.873 109.7 45.2 -66.5 -39.1 28.0 0.7 58.7 122 209 A A H X S+ 0 0 7 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.915 110.0 55.4 -70.2 -45.2 31.7 -0.1 58.4 123 210 A A H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.963 117.9 34.5 -46.8 -56.6 31.5 0.1 54.7 124 211 A E H X S+ 0 0 10 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.923 115.3 54.6 -70.1 -46.1 30.1 3.6 54.9 125 212 A G H X S+ 0 0 22 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.859 108.6 48.4 -62.7 -39.1 32.0 4.8 58.0 126 213 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.920 111.2 50.8 -62.2 -45.6 35.4 3.9 56.5 127 214 A E H X S+ 0 0 17 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.866 115.2 43.5 -63.0 -37.5 34.6 5.7 53.3 128 215 A R H X S+ 0 0 131 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.839 110.5 53.5 -74.3 -36.8 33.5 8.8 55.2 129 216 A Y H X S+ 0 0 33 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.932 112.3 45.9 -64.9 -41.0 36.4 8.7 57.6 130 217 A L H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 6,-0.3 0.857 109.0 55.6 -72.9 -37.3 38.8 8.6 54.7 131 218 A G H < S+ 0 0 42 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.938 112.9 41.8 -53.3 -50.9 37.0 11.4 52.9 132 219 A A H < S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.889 121.5 39.3 -68.7 -41.8 37.3 13.7 55.9 133 220 A K H < S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.855 128.7 25.5 -81.1 -36.0 40.9 12.9 56.7 134 221 A F < - 0 0 50 -4,-2.7 2,-3.6 -5,-0.2 -1,-0.2 -0.703 64.9-165.8-131.9 80.1 42.4 12.6 53.2 135 222 A P 0 0 125 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.069 360.0 360.0 -60.4 38.3 40.4 14.6 50.6 136 223 A G 0 0 72 -2,-3.6 -2,-0.1 -6,-0.3 -3,-0.0 0.050 360.0 360.0-143.8 360.0 42.2 12.7 47.8 137 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 138 226 A R 0 0 72 0, 0.0 35,-0.1 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 82.4 37.2 8.3 46.2 139 227 A F + 0 0 86 33,-0.1 35,-2.3 0, 0.0 36,-0.2 -0.429 360.0 160.0 -91.3 38.0 37.9 5.1 44.7 140 228 A S - 0 0 2 33,-0.2 215,-0.2 1,-0.1 214,-0.1 -0.128 53.2-134.2 -64.0 150.6 35.3 4.8 47.4 141 229 A L > + 0 0 2 -18,-0.2 3,-3.9 33,-0.1 -1,-0.1 0.599 50.6 158.4 -81.4 -11.9 33.0 1.9 47.4 142 230 A E T 3 + 0 0 15 1,-0.3 212,-1.1 2,-0.2 213,-0.6 -0.225 65.2 4.1 -57.1 143.8 30.0 4.1 48.0 143 231 A G T 3 S+ 0 0 1 210,-0.4 209,-1.0 211,-0.2 -1,-0.3 -0.214 112.4 74.9 -97.6 80.8 27.4 2.9 47.3 144 232 A G X + 0 0 0 -3,-3.9 3,-2.0 207,-0.2 4,-0.2 -0.392 62.8 141.6 -99.0 45.0 28.1 -0.5 46.3 145 233 A D T > + 0 0 4 1,-0.3 3,-2.0 2,-0.2 -22,-0.1 0.755 49.1 76.8 -58.4 -26.5 28.4 -0.8 50.0 146 234 A A T 3> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.535 72.2 84.1 -69.5 -4.2 26.8 -4.3 50.0 147 235 A L H <> S+ 0 0 0 -3,-2.0 4,-2.8 2,-0.2 -1,-0.3 0.830 88.5 52.8 -61.4 -32.8 30.0 -5.7 48.7 148 236 A I H <> S+ 0 0 2 -3,-2.0 4,-2.9 2,-0.2 5,-0.2 0.973 111.1 41.8 -72.4 -56.8 31.3 -5.9 52.3 149 237 A P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.837 116.8 54.1 -51.5 -35.2 28.3 -7.8 53.8 150 238 A M H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.953 111.6 40.3 -70.2 -52.1 28.5 -9.9 50.6 151 239 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.899 115.3 52.8 -62.0 -41.6 32.1 -10.9 50.9 152 240 A K H X S+ 0 0 18 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.932 113.5 43.5 -65.9 -36.4 31.8 -11.4 54.6 153 241 A E H X S+ 0 0 8 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.886 110.0 55.7 -72.8 -39.2 28.8 -13.7 54.1 154 242 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.931 110.6 46.0 -56.5 -43.9 30.5 -15.5 51.2 155 243 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.920 111.0 50.6 -69.8 -46.2 33.4 -16.3 53.5 156 244 A R H X S+ 0 0 22 -4,-2.2 4,-1.7 1,-0.2 64,-0.3 0.934 112.5 48.0 -54.5 -46.2 31.3 -17.4 56.4 157 245 A H H < S+ 0 0 36 -4,-2.8 4,-0.2 1,-0.2 -2,-0.2 0.861 108.6 53.5 -66.9 -37.8 29.3 -19.7 54.1 158 246 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 3,-1.4 0.911 106.9 53.8 -55.7 -45.3 32.6 -21.1 52.6 159 247 A G H ><5S+ 0 0 4 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.912 107.0 50.0 -55.9 -43.8 33.6 -21.9 56.2 160 248 A N T 3<5S+ 0 0 104 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.436 109.5 52.9 -83.4 3.2 30.5 -23.8 56.8 161 249 A S T < 5S- 0 0 38 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.094 121.8 -99.0-125.7 18.9 31.0 -25.8 53.7 162 250 A G T < 5 + 0 0 42 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.616 67.7 152.5 77.5 13.6 34.5 -27.0 54.4 163 251 A T < - 0 0 5 -5,-2.5 -1,-0.3 -6,-0.2 96,-0.2 -0.600 21.0-175.7 -70.4 137.4 36.4 -24.4 52.2 164 252 A R + 0 0 61 95,-2.8 60,-3.4 1,-0.3 2,-0.3 0.740 63.6 27.1-111.8 -32.7 39.9 -23.9 53.7 165 253 A E E -cd 224 260B 27 94,-1.8 96,-2.7 58,-0.2 2,-0.4 -0.977 57.3-163.0-131.9 150.0 41.2 -21.0 51.5 166 254 A V E -cd 225 261B 0 58,-2.9 60,-2.6 -2,-0.3 2,-0.5 -0.997 7.6-161.4-128.5 125.8 39.7 -18.2 49.5 167 255 A V E -cd 226 262B 4 94,-2.4 96,-3.0 -2,-0.4 2,-0.4 -0.953 13.4-169.0-111.0 124.0 41.7 -16.4 46.8 168 256 A L E -cd 227 263B 2 58,-3.1 60,-3.2 -2,-0.5 2,-0.4 -0.883 14.1-178.3-112.5 145.1 40.4 -12.9 45.7 169 257 A G E + d 0 264B 1 94,-1.8 96,-2.8 -2,-0.4 2,-0.2 -0.996 20.1 142.9-134.4 135.5 41.2 -10.6 42.8 170 258 A M - 0 0 6 -2,-0.4 96,-0.1 58,-0.2 67,-0.1 -0.774 35.7-120.9-144.7-165.7 39.6 -7.2 42.3 171 259 A A - 0 0 33 2,-0.3 -1,-0.1 -2,-0.2 61,-0.0 0.022 49.8 -60.8-120.8-134.3 40.7 -3.7 41.1 172 260 A H S > S+ 0 0 67 60,-0.1 3,-2.2 2,-0.1 4,-0.5 0.897 98.5 88.2 -94.1 -43.1 40.6 -0.2 42.6 173 261 A R T 3 S- 0 0 20 1,-0.3 -2,-0.3 2,-0.1 -33,-0.2 -0.391 112.2 -0.2 -63.4 122.2 37.0 0.6 43.4 174 262 A G T 3> S+ 0 0 1 -35,-2.3 4,-2.5 -2,-0.2 -1,-0.3 0.332 96.1 126.5 84.7 -8.7 36.3 -0.7 46.9 175 263 A R H <> S+ 0 0 0 -3,-2.2 4,-2.4 1,-0.2 -2,-0.1 0.868 72.0 45.4 -53.6 -45.1 39.8 -1.9 47.2 176 264 A L H > S+ 0 0 13 -4,-0.5 4,-2.5 -37,-0.2 5,-0.3 0.883 112.6 52.5 -69.4 -36.7 40.6 -0.1 50.5 177 265 A N H > S+ 0 0 0 2,-0.2 4,-3.5 1,-0.2 5,-0.5 0.935 110.4 46.1 -61.7 -46.6 37.3 -1.1 52.0 178 266 A V H X>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-1.7 0.930 111.4 53.7 -67.6 -39.9 37.8 -4.8 51.2 179 267 A L H <>S+ 0 0 1 -4,-2.4 6,-2.1 -5,-0.3 5,-1.2 0.961 122.4 27.2 -54.8 -54.5 41.3 -4.6 52.6 180 268 A V H <5S+ 0 0 1 -4,-2.5 226,-0.4 4,-0.2 -2,-0.2 0.938 129.0 36.5 -77.4 -50.4 40.2 -3.1 55.9 181 269 A N H <5S+ 0 0 5 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.556 132.2 21.5 -90.9 -7.5 36.7 -4.4 56.4 182 270 A V T <5S+ 0 0 1 -4,-1.7 -3,-0.2 -5,-0.5 -4,-0.1 0.694 129.5 35.8-117.0 -48.3 37.0 -7.9 54.9 183 271 A L T > - 0 0 50 1,-0.2 4,-1.9 219,-0.1 3,-0.6 -0.446 20.6-142.0 -64.5 122.3 45.0 -2.4 60.3 187 275 A P H 3> S+ 0 0 0 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.895 104.7 57.3 -47.6 -44.9 43.3 1.0 59.7 188 276 A Q H 3> S+ 0 0 77 215,-2.3 4,-2.5 1,-0.2 5,-0.2 0.910 104.0 51.7 -55.1 -44.0 46.4 2.6 61.3 189 277 A D H <> S+ 0 0 74 -3,-0.6 4,-1.8 214,-0.4 -1,-0.2 0.915 113.1 45.3 -57.7 -41.8 48.6 0.9 58.6 190 278 A L H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.907 111.0 51.5 -68.5 -42.0 46.4 2.3 55.9 191 279 A F H X S+ 0 0 15 -4,-3.3 4,-0.8 1,-0.2 -2,-0.2 0.896 109.2 53.1 -62.2 -38.6 46.3 5.8 57.5 192 280 A D H >X>S+ 0 0 51 -4,-2.5 5,-2.6 -5,-0.3 3,-0.8 0.889 102.2 57.2 -60.2 -44.8 50.1 5.6 57.6 193 281 A E H ><5S+ 0 0 37 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.914 104.5 52.7 -53.8 -42.8 50.2 4.8 54.0 194 282 A F H 3<5S+ 0 0 50 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.736 109.2 49.2 -65.5 -24.9 48.3 8.0 53.2 195 283 A A H <<5S- 0 0 71 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.419 121.6-107.5 -92.8 -3.6 50.9 10.0 55.3 196 284 A G T <<5S+ 0 0 42 -3,-1.3 2,-0.5 -4,-0.6 -3,-0.2 0.730 71.6 141.3 81.7 24.5 53.8 8.4 53.4 197 285 A K < 0 0 123 -5,-2.6 -1,-0.3 1,-0.1 -2,-0.1 -0.878 360.0 360.0 -99.6 127.9 55.0 6.2 56.3 198 286 A H 0 0 121 -2,-0.5 -1,-0.1 2,-0.1 -5,-0.1 0.205 360.0 360.0-131.2 360.0 56.1 2.6 55.4 199 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 200 289 A H 0 0 94 0, 0.0 -2,-0.1 0, 0.0 395,-0.0 0.000 360.0 360.0 360.0 161.7 58.8 -2.0 52.4 201 290 A L + 0 0 114 392,-0.0 2,-0.2 0, 0.0 392,-0.0 -0.009 360.0 67.3-136.9 32.2 62.3 -2.5 51.0 202 291 A G S S- 0 0 31 391,-0.2 392,-0.1 392,-0.1 391,-0.1 -0.546 105.7 -84.2-110.3-158.8 61.7 -2.7 47.3 203 292 A T - 0 0 25 390,-0.2 1411,-3.2 -2,-0.2 1412,-0.5 0.637 66.2-156.8 -88.8 -16.0 60.4 0.2 45.2 204 293 A G - 0 0 3 389,-2.6 2,-0.3 1409,-0.2 -1,-0.2 -0.002 7.1-118.0 86.2-178.4 56.8 -0.4 45.9 205 294 A D - 0 0 9 1409,-0.1 1409,-0.1 1222,-0.1 1222,-0.1 -0.907 40.9 -64.4-157.0-178.4 53.5 0.4 44.3 206 295 A V > - 0 0 40 -2,-0.3 3,-1.8 1,-0.1 1409,-0.1 -0.329 46.5-111.3 -82.6 162.5 50.3 2.5 45.0 207 296 A K G > S+ 0 0 44 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.766 111.7 62.9 -68.2 -24.9 48.0 1.6 47.9 208 297 A Y G 3 S+ 0 0 40 1,-0.3 -1,-0.3 -32,-0.0 -33,-0.1 0.448 98.3 56.7 -80.0 -4.1 45.1 0.5 45.6 209 298 A H G < S+ 0 0 14 -3,-1.8 21,-1.1 20,-0.1 2,-0.3 0.191 81.4 128.8-103.9 12.0 47.2 -2.4 44.2 210 299 A M < - 0 0 48 -3,-1.2 2,-0.1 19,-0.2 -31,-0.1 -0.534 40.4-161.9 -82.1 130.2 47.9 -3.9 47.6 211 300 A G - 0 0 5 -2,-0.3 2,-0.3 384,-0.1 17,-0.2 -0.289 8.8-163.9 -88.5-174.7 47.2 -7.6 48.3 212 301 A F E -E 227 0B 51 15,-2.0 15,-2.8 -2,-0.1 2,-0.4 -0.938 12.6-148.8-173.3 143.9 46.9 -9.1 51.7 213 302 A S E +E 226 0B 49 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.983 30.5 141.3-124.6 133.8 47.0 -12.4 53.5 214 303 A S E -E 225 0B 2 11,-2.5 11,-3.8 -2,-0.4 2,-0.3 -0.983 42.8-114.9-156.4 173.0 45.0 -13.4 56.6 215 304 A D E -EF 224 411B 10 196,-1.6 196,-2.6 -2,-0.3 2,-0.4 -0.861 26.0-162.1-107.8 153.1 43.1 -16.0 58.5 216 305 A F E -EF 223 410B 1 7,-2.5 7,-2.6 -2,-0.3 2,-0.6 -0.990 13.6-134.9-141.6 122.2 39.4 -15.5 59.2 217 306 A Q E +E 222 0B 75 192,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.704 27.4 176.6 -87.6 117.7 37.5 -17.5 61.9 218 307 A T E > -E 221 0B 5 3,-2.8 3,-1.6 -2,-0.6 -62,-0.1 -0.780 45.9-108.3-109.0 161.3 34.1 -18.8 60.9 219 308 A D T 3 S+ 0 0 156 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.846 123.5 51.1 -46.7 -36.7 31.6 -21.0 62.8 220 309 A G T 3 S- 0 0 43 -64,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.483 125.8 -81.9 -91.6 -4.0 32.6 -23.7 60.4 221 310 A G E < - E 0 218B 26 -3,-1.6 -3,-2.8 2,-0.0 2,-0.6 -0.843 63.7 -33.3 139.0-166.7 36.3 -23.3 60.9 222 311 A L E - E 0 217B 80 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.776 50.3-167.4 -95.5 116.5 39.4 -21.3 60.0 223 312 A V E - E 0 216B 0 -7,-2.6 -7,-2.5 -2,-0.6 2,-0.4 -0.825 15.8-135.5 -99.7 139.5 39.6 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75.6-126.0 -57.6 121.1 45.8 -3.1 33.8 234 323 A L T 3 S+ 0 0 66 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.512 74.0 7.8 -79.9 134.4 42.3 -4.4 34.3 235 324 A E T 3 S+ 0 0 18 -2,-0.2 -1,-0.2 -65,-0.1 3,-0.2 0.391 93.7 98.7 98.7 -0.1 41.2 -8.0 34.2 236 325 A I <> + 0 0 3 -3,-0.6 4,-0.7 1,-0.2 -2,-0.1 0.610 68.4 69.8-100.2 -16.0 44.5 -9.8 34.1 237 326 A V H > S+ 0 0 12 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.651 86.6 77.0 -67.7 -16.0 44.8 -10.6 37.8 238 327 A S H >> S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 3,-0.6 0.983 95.6 38.5 -63.3 -64.7 41.9 -13.0 37.1 239 328 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.741 114.1 60.6 -59.2 -23.4 43.8 -15.9 35.4 240 329 A V H 3X S+ 0 0 12 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.913 104.5 47.7 -64.9 -45.7 46.5 -15.1 38.0 241 330 A V H < S+ 0 0 25 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.799 112.5 48.2 -71.5 -32.3 46.8 -24.6 46.3 249 338 A L H >< S+ 0 0 9 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.798 104.8 62.0 -71.3 -30.4 44.5 -27.4 45.3 250 339 A D T 3< S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.528 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2,-0.1 5,-0.4 0.606 105.8 95.5-101.0 -12.1 72.2 -8.8 23.3 769 882 A W H <> S+ 0 0 21 -3,-0.6 4,-1.4 1,-0.2 -1,-0.1 0.881 90.5 37.6 -52.5 -53.7 74.5 -6.1 21.7 770 883 A Y H 4 S+ 0 0 31 -4,-0.4 4,-0.3 -6,-0.4 -1,-0.2 0.924 124.2 39.9 -73.6 -37.8 72.8 -2.9 22.9 771 884 A C H 4 S+ 0 0 16 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.749 124.3 34.4 -79.3 -27.8 71.9 -4.2 26.3 772 885 A S H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.1 3,-0.3 0.318 84.9 101.2-121.8 2.0 75.0 -6.1 27.2 773 886 A Q H X S+ 0 0 24 -4,-1.4 4,-2.4 -5,-0.4 3,-0.3 0.959 82.8 52.6 -33.2 -63.7 77.6 -4.0 25.5 774 887 A H H > S+ 0 0 59 -4,-0.3 4,-0.9 1,-0.3 -1,-0.2 0.755 108.1 49.9 -66.0 -27.6 78.5 -2.4 28.8 775 888 A H H 4 S+ 0 0 26 -3,-0.3 3,-0.4 2,-0.2 4,-0.4 0.912 108.0 52.9 -68.8 -45.5 79.1 -5.8 30.5 776 889 A F H >X S+ 0 0 0 -4,-2.1 3,-2.2 -3,-0.3 4,-1.3 0.970 108.0 52.2 -57.1 -53.3 81.3 -7.1 27.7 777 890 A R H 3< S+ 0 0 124 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.800 105.0 56.1 -48.2 -35.4 83.4 -3.9 28.1 778 891 A E T 3< S+ 0 0 112 -4,-0.9 -1,-0.3 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